*HEADER    DNA BINDING PROTEIN                     13-JUN-05   2CVR              
*TITLE     NMR SOLUTION STRUCTURE OF SSO7D MUTANT, K12L, 12 CONFORMERS           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA-BINDING PROTEIN 7A;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SSO7D, 7 KDA DNA-BINDING PROTEIN A,                         
*COMPND   5 ENDORIBONUCLEASE P2, P7SS;                                           
*COMPND   6 EC: 3.1.27.-;                                                        
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS;                        
*SOURCE   3 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSE;                          
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PT7-7                                     
*KEYWDS    DNA-BINDING PROTEIN, THERMOSTABLE PROTEIN, NMR, SULFOLOBUS            
*KEYWDS   2 SOLFATARICUS, SINGLE POINT MUTATION                                  
*EXPDTA    NMR, 12 STRUCTURES                                                    
*AUTHOR    I.AROSIO, T.RECCA, R.CONSONNI, E.ALBERTI, P.FUSI, L.ZETTA             
*REVDAT   1   29-AUG-06 2CVR    0                                                

!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_3:HG2*    1:VAL_3:HG1*    1:VAL_3:CG2     1:VAL_3:CG1     1:VAL_3:CB     
1:VAL_25:HG2*   1:VAL_25:HG1*   1:VAL_25:CG2    1:VAL_25:CG1    1:VAL_25:CB    
!
#chiral
1:ALAN_1:CA        S
1:THR_2:CA         S
1:THR_2:CB         R
1:VAL_3:CA         S
1:LYS+_4:CA        S
1:PHE_5:CA         S
1:LYS+_6:CA        S
1:TYR_7:CA         S
1:LYS+_8:CA        S
1:GLU-_10:CA       S
1:GLU-_11:CA       S
1:LEU_12:CA        S
1:GLN_13:CA        S
1:VAL_14:CA        S
1:ASP-_15:CA       S
1:ILE_16:CA        S
1:ILE_16:CB        S
1:SER_17:CA        S
1:LYS+_18:CA       S
1:ILE_19:CA        S
1:ILE_19:CB        S
1:LYS+_20:CA       S
1:LYS+_21:CA       S
1:VAL_22:CA        S
1:TRP_23:CA        S
1:ARG+_24:CA       S
1:VAL_25:CA        S
1:LYS+_27:CA       S
1:MET_28:CA        S
1:ILE_29:CA        S
1:ILE_29:CB        S
1:SER_30:CA        S
1:PHE_31:CA        S
1:THR_32:CA        S
1:THR_32:CB        R
1:TYR_33:CA        S
1:ASP-_34:CA       S
1:GLU_35:CA        S
1:LYS+_39:CA       S
1:THR_40:CA        S
1:THR_40:CB        R
1:ARG+_42:CA       S
1:ALA_44:CA        S
1:VAL_45:CA        S
1:SER_46:CA        S
1:GLU-_47:CA       S
1:LYS+_48:CA       S
1:ASP-_49:CA       S
1:ALA_50:CA        S
1:PRO_51:CA        S
1:LYS+_52:CA       S
1:GLU-_53:CA       S
1:LEU_54:CA        S
1:LEU_55:CA        S
1:GLN_56:CA        S
1:MET_57:CA        S
1:LEU_58:CA        S
1:GLU-_59:CA       S
1:LYS+_60:CA       S
1:GLN_61:CA        S
1:LY+C_62:CA       S
!
#NOE_distance
1:ALAN_1:HA        1:ALAN_1:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HA         1:VAL_3:HB          2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HN         1:VAL_3:HB          2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HN         1:VAL_3:HGR*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_3:HN         1:VAL_3:HGS*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_3:HA         1:VAL_3:HGR*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HA         1:VAL_3:HGS*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:THR_2:HN         1:THR_2:HA          2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:THR_2:HN         1:THR_2:HG*         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_2:HN         1:THR_2:HB          2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HN        1:LYS+_4:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HN        1:LYS+_4:HG*        3.500  5.922  4.922  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_2:HB         1:THR_2:HG*         2.000  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HA        1:LYS+_4:HG*        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_4:HE*       1:LYS+_4:HG*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_4:HBR       1:LYS+_4:HG*        2.500  5.225  4.225  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HBS       1:LYS+_4:HG*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HD*       1:LYS+_4:HG*        2.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HN         1:PHE_5:HA          1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:PHE_5:HE*        1:PHE_5:HD*         1.700  6.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:PHE_5:HD*        1:PHE_5:HB*         1.700  7.949  4.949  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HD*        1:PHE_5:HA          3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HA         1:PHE_5:HB*         1.700  3.914  2.914  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_6:HN        1:PHE_5:HB*         3.000  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_6:HN        1:LYS+_6:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_6:HN        1:LYS+_6:HB*        2.500  5.225  4.225  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_6:HA        1:LYS+_6:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_7:HN         1:TYR_7:HB*         1.000  5.834  4.834  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:TYR_7:HN         1:TYR_7:HA          2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064  
1:TYR_7:HD*        1:TYR_7:HA          2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_7:HD*        1:TYR_7:HB*         2.500  8.431  5.431  1.00  1.00 1000.000  0.00 !medium:noeh2064 
1:LYS+_8:HN        1:LYS+_8:HA         1.700  3.000  3.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LYS+_8:HN        1:LYS+_8:HB*        3.000  4.500  4.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_8:HN        1:LYS+_8:HG*        2.500  5.225  4.225  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_8:HA        1:LYS+_8:HG*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_7:HD*        1:TYR_7:HE*         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LYS+_8:HD*       1:LYS+_8:HG*        2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_8:HA        1:LYS+_8:HB*        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HA        1:ILE_16:HB         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HN        1:ILE_16:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HN        1:ILE_16:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HN        1:ILE_16:HG1*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HN        1:ILE_16:HB         2.000  4.000  4.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ILE_16:HA        1:ILE_16:HD1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HA        1:ILE_16:HG2*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HB        1:ILE_16:HD1*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HG1*      1:ILE_16:HD1*       2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HG2*      1:ILE_16:HD1*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLY_9:HN         1:GLY_9:HA*         1.700  3.909  2.909  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_10:HN       1:GLU-_10:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_10:HN       1:GLU-_10:HB*       1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_11:HN       1:GLU-_11:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_11:HN       1:GLU-_11:HB*       1.700  3.913  2.913  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_11:HN       1:GLU-_11:HG*       2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_11:HA       1:GLU-_11:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_11:HA       1:GLU-_11:HB*       1.700  3.913  2.913  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_11:HG*      1:GLU-_11:HB*       1.700  6.834  4.834  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:THR_2:HN         1:ALAN_1:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:THR_2:HN         1:ALAN_1:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HN         1:THR_2:HA          1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:VAL_3:HN         1:THR_2:HB          2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HN         1:THR_2:HG*         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALA_50:HA        1:VAL_45:HG*        2.500  7.466  5.066  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HN        1:VAL_3:HA          1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LYS+_4:HN        1:LYS+_4:HBS        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HN        1:LYS+_4:HBR        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HN        1:VAL_3:HGR*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_4:HN        1:VAL_3:HGS*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HN         1:LYS+_4:HA         1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:LYS+_6:HN        1:PHE_5:HD*         2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_6:HN        1:PHE_5:HA          1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TYR_7:HN         1:LYS+_6:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TYR_7:HN         1:LYS+_6:HG*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_8:HN        1:TYR_7:HD*         3.000  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_8:HN        1:TYR_7:HA          2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_10:HN       1:GLY_9:HA*         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_12:HN        1:GLU-_11:HA        1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:LEU_12:HN        1:LEU_12:HB*        2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_12:HN        1:LEU_12:HG         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_12:HG        1:LEU_12:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_13:HE21      1:GLN_13:HE22       1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLN_13:HN        1:GLN_13:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_13:HE21      1:GLN_13:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLN_13:HA        1:GLN_13:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_13:HA        1:GLN_13:HG*        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_14:HN        1:VAL_14:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ASP-_15:HN       1:VAL_14:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:VAL_14:HG*       1:VAL_14:HN         2.500  6.618  4.218  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_14:HA        1:VAL_14:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_14:HG*       1:VAL_14:HA         2.500  7.466  5.066  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_11:HN       1:GLU-_10:HA        1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ASP-_15:HN       1:ASP-_15:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ASP-_15:HA       1:ASP-_15:HB*       2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:SER_17:HN        1:SER_17:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_17:HN        1:SER_17:HB*        1.000  7.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:SER_17:HA        1:SER_17:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_18:HN       1:LYS+_18:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_18:HN       1:LYS+_18:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_18:HN       1:LYS+_18:HD*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_18:HN       1:LYS+_18:HG*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_19:HN        1:ILE_19:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_19:HN        1:ILE_19:HB         1.700  3.000  3.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ILE_19:HN        1:ILE_19:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_19:HA        1:ILE_19:HG2*       2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_19:HA        1:ILE_19:HG1*       2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_19:HA        1:ILE_19:HD1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_22:HN        1:VAL_22:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_22:HN        1:VAL_22:HG*        3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_22:HA        1:VAL_22:HG*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_22:HA        1:VAL_22:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_21:HB*      1:VAL_22:HG*        2.500  6.900  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HE1       1:TRP_23:HD1        1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TRP_23:HE1       1:TRP_23:HZ2        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HN        1:TRP_23:HE3        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HN        1:TRP_23:HB*        2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ARG+_42:HE       1:ARG+_42:HD*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HE3       1:TRP_23:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HD1       1:TRP_23:HB*        2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HD1       1:TRP_23:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HA        1:TRP_23:HB*        2.500  5.226  4.226  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ARG+_24:HN       1:TRP_23:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ARG+_24:HN       1:ARG+_24:HG*       2.500  5.225  4.225  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ARG+_24:HN       1:ARG+_24:HB*       1.700  3.912  2.912  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ARG+_24:HE       1:ARG+_24:HD*       2.500  4.385  3.385  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_25:HN        1:VAL_25:HGR*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_25:HA        1:VAL_25:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_25:HGS*      1:VAL_25:HA         3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_25:HGR*      1:VAL_25:HA         2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_25:HGS*      1:VAL_25:HB         2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_26:HN        1:GLY_26:HA*        1.700  3.909  2.909  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_27:HN       1:LYS+_27:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_27:HN       1:LYS+_27:HD*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_27:HN       1:LYS+_27:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_27:HA       1:LYS+_27:HB*       2.000  4.000  3.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_27:HA       1:LYS+_27:HD*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_27:HA       1:LYS+_27:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_27:HN       1:LYS+_27:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_27:HG*      1:LYS+_27:HB*       2.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:MET_28:HN        1:MET_28:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:MET_28:HN        1:MET_28:HB*        2.500  4.388  3.388  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:MET_28:HN        1:MET_28:HG*        2.500  5.223  4.223  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:MET_28:HG*       1:MET_28:HB*        2.500  6.225  4.225  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HN        1:ILE_29:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_29:HN        1:ILE_29:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_29:HN        1:ILE_29:HG1*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HN        1:ILE_29:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HA        1:ILE_29:HG2*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_29:HA        1:ILE_29:HG1*       2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HA        1:ILE_29:HB         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HB        1:ILE_29:HG1*       2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HB        1:ILE_29:HG2*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_30:HN        1:SER_30:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_30:HN        1:SER_30:HB*        2.500  4.388  3.388  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HN        1:PHE_31:HD*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HD*       1:PHE_31:HE*        2.500  7.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HN        1:PHE_31:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HD*       1:PHE_31:HA         2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HE*       1:PHE_31:HZ         1.700  4.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ASP-_49:HN       1:ASP-_49:HB*       2.500  5.226  4.226  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HD*       1:PHE_31:HB*        2.500  8.431  5.431  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HA        1:PHE_31:HB*        2.500  4.390  3.390  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:THR_32:HN        1:PHE_31:HA         1.700  3.000  3.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TYR_33:HN        1:TYR_33:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HN        1:THR_32:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TYR_33:HN        1:THR_32:HG*        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HN        1:TYR_33:HD*        2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ASP-_34:HN       1:ASP-_34:HB*       1.700  3.913  2.913  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ASP-_34:HN       1:ASP-_34:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ASP-_34:HN       1:TYR_33:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ASP-_34:HN       1:TYR_33:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HD*       1:TYR_33:HB*        2.500  8.431  5.431  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HD*       1:TYR_33:HA         3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HA        1:TYR_33:HB*        2.500  4.390  3.390  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU_35:HN        1:GLU_35:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU_35:HN        1:GLU_35:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU_35:HA        1:GLU_35:HG*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_36:HN        1:GLU_35:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_36:HN        1:GLY_36:HA*        1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_37:HN        1:GLY_37:HA*        1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_38:HN        1:GLY_38:HA*        2.500  4.386  3.386  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_39:HA       1:LYS+_39:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_39:HB*      1:LYS+_39:HG*       1.000  8.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:THR_40:HN        1:THR_40:HA         1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:THR_40:HN        1:THR_40:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:THR_40:HN        1:THR_40:HG*        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_42:HN       1:ARG+_42:HA        1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:ARG+_42:HN       1:ARG+_42:HB*       2.500  5.226  4.226  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_42:HN       1:ARG+_42:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ARG+_42:HE       1:ARG+_42:HG*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_42:HA       1:ARG+_42:HG*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_42:HA       1:ARG+_42:HB*       2.500  4.388  3.388  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ARG+_42:HD*      1:ARG+_42:HB*       2.500  7.230  5.230  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLY_43:HN        1:GLY_43:HA*        2.500  4.386  3.386  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ALA_44:HN        1:ALA_44:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ALA_44:HN        1:ALA_44:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALA_44:HA        1:ALA_44:HB*        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_45:HN        1:VAL_45:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_45:HN        1:VAL_45:HG*        2.500  4.492  4.492  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_46:HN        1:VAL_45:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:MET_28:HB*       1:VAL_45:HG*        2.500  6.900  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_46:HN        1:SER_46:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_46:HN        1:SER_46:HB*        2.500  4.388  3.388  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_46:HA        1:SER_46:HB*        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU-_47:HN       1:GLU-_47:HG*       2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU-_47:HN       1:GLU-_47:HB*       1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_47:HN       1:GLU-_47:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_47:HA       1:GLU-_47:HB*       1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_47:HA       1:GLU-_47:HG*       2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_48:HN       1:LYS+_48:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_48:HN       1:LYS+_48:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_48:HN       1:LYS+_48:HG*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_48:HA       1:LYS+_48:HG*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_27:HE*      1:MET_28:HG*        2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ALA_50:HN        1:ALA_50:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ALA_50:HN        1:ALA_50:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ALA_50:HA        1:ALA_50:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PRO_51:HD*       1:PRO_51:HG*        2.500  5.264  3.264  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_52:HN       1:LYS+_52:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_52:HN       1:LYS+_52:HB*       2.500  4.388  3.388  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_52:HN       1:LYS+_52:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_52:HA       1:LYS+_52:HG*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_52:HA       1:LYS+_52:HB*       1.000  5.511  4.511  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LYS+_52:HB*      1:LYS+_52:HG*       1.700  4.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_53:HN       1:GLU-_53:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HN       1:GLU-_53:HG*       2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HN       1:GLU-_53:HB*       2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HA       1:GLU-_53:HB*       1.000  5.833  4.833  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:GLU-_53:HA       1:GLU-_53:HG*       2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_54:HN        1:LEU_54:HA         1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:LEU_54:HN        1:LEU_54:HB*        1.700  3.912  2.912  1.00  1.00 1000.000  0.00 !strong:noeh2064 
1:LEU_54:HD*       1:LEU_54:HG         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_55:HN        1:LEU_55:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_55:HN        1:LEU_55:HG         1.700  3.000  3.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LEU_55:HN        1:LEU_55:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064 
1:LEU_55:HA        1:LEU_55:HG         1.700  3.000  3.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LEU_55:HB*       1:LEU_55:HG         2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HE21      1:GLN_56:HE22       1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLN_56:HN        1:GLN_56:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HN        1:GLN_56:HG*        2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HN        1:GLN_56:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_58:HN        1:LEU_58:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HA        1:GLN_56:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HA        1:GLN_56:HG*        1.000  5.833  4.833  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:MET_57:HN        1:MET_57:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:MET_57:HN        1:MET_57:HG*        2.500  5.000  4.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:MET_57:HN        1:MET_57:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:MET_57:HA        1:MET_57:HG*        1.000  5.831  4.831  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:MET_57:HA        1:MET_57:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:MET_57:HG*       1:MET_57:HB*        2.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_58:HN        1:LEU_58:HB*        1.700  3.912  2.912  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LEU_58:HN        1:LEU_58:HG         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_58:HD*       1:LEU_58:HA         2.500  6.608  4.208  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_58:HA        1:LEU_58:HG         3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_58:HA        1:LEU_58:HB*        2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_59:HN       1:GLU-_59:HA        1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:GLU-_59:HN       1:GLU-_59:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_59:HN       1:GLU-_59:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_59:HA       1:GLU-_59:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_59:HA       1:GLU-_59:HG*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_60:HN       1:LYS+_60:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_60:HN       1:LYS+_60:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_60:HN       1:LYS+_60:HG*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_60:HA       1:LYS+_60:HB*       2.500  4.388  3.388  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_61:HE21      1:GLN_61:HE22       1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLN_61:HN        1:GLN_61:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_61:HN        1:GLN_61:HB*        2.500  5.225  4.225  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLN_61:HN        1:GLN_61:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLN_61:HE21      1:GLN_61:HG*        1.000  7.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:VAL_3:HA         1:PRO_51:HG*        2.500  6.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_13:HN        1:LEU_12:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLN_13:HN        1:LEU_12:HB*        2.500  5.226  4.226  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_14:HN        1:GLN_13:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ILE_16:HN        1:ASP-_15:HA        1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ILE_16:HN        1:ASP-_15:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:SER_17:HN        1:ILE_16:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:SER_17:HN        1:ILE_16:HN         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_18:HN       1:SER_17:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_12:HN        1:PHE_5:HN          2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_20:HN       1:ILE_19:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_37:HN        1:GLY_36:HA*        1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TRP_23:HN        1:VAL_22:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TRP_23:HN        1:VAL_22:HG*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HN        1:VAL_22:HB         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HE3       1:VAL_22:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ARG+_24:HN       1:TRP_23:HB*        2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_25:HN        1:ARG+_24:HA        1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_26:HN        1:VAL_25:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_26:HN        1:VAL_25:HGS*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_27:HN       1:GLY_26:HA*        1.700  3.909  2.909  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:MET_28:HN        1:LYS+_27:HA        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_29:HN        1:MET_28:HB*        2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:SER_30:HN        1:ILE_29:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:PHE_31:HN        1:SER_30:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:PHE_31:HN        1:SER_30:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HN        1:THR_32:HB         1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:GLU_35:HN        1:ASP-_34:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU_35:HN        1:ASP-_34:HA        1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:GLU_35:HN        1:GLU_35:HG*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_38:HN        1:GLY_37:HA*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:THR_40:HN        1:GLY_36:HA*        2.500  5.000  5.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_41:HN        1:GLY_41:HA*        1.700  3.909  2.909  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_41:HA*       1:THR_40:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_42:HN       1:GLY_41:HA*        1.700  3.909  2.909  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_43:HN        1:ARG+_42:HA        1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:ALA_44:HN        1:GLY_43:HA*        2.500  4.386  3.386  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_45:HN        1:ALA_44:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_45:HN        1:ALA_44:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_47:HN       1:SER_46:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_47:HN       1:SER_46:HB*        2.500  5.225  4.225  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_48:HN       1:GLU-_47:HA        3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_48:HN       1:GLU-_47:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_54:HA        1:MET_57:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ASP-_49:HN       1:LYS+_48:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ASP-_49:HN       1:LYS+_48:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALA_50:HN        1:ASP-_49:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PRO_51:HD*       1:ALA_50:HB*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PRO_51:HD*       1:ALA_50:HA         2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_52:HN       1:PRO_51:HA         1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:LYS+_52:HN       1:PRO_51:HB*        2.500  4.385  3.385  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_54:HN        1:GLU-_53:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_55:HN        1:LEU_54:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_55:HN        1:LEU_54:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLN_56:HN        1:LEU_55:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HN        1:LEU_55:HG         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HN        1:LEU_55:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:MET_57:HN        1:GLN_56:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_58:HN        1:MET_57:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU-_59:HN       1:LEU_58:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_59:HN       1:LEU_58:HB*        3.500  5.923  4.923  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_60:HN       1:GLU-_59:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LY+C_62:HN       1:GLN_61:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_20:HN       1:ILE_19:HN         2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_38:HN        1:LYS+_39:HN        1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_36:HN        1:GLU_35:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_38:HN        1:GLY_37:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_45:HN        1:GLU-_47:HN        4.000  6.000  6.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ASP-_49:HN       1:ALA_50:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HN       1:LYS+_52:HN        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HN        1:LEU_55:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_59:HN       1:LEU_58:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_61:HN        1:LYS+_60:HN        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HN        1:THR_2:HA          2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HN         1:VAL_14:HN         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_12:HN        1:LYS+_6:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_11:HA       1:LYS+_6:HA         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_7:HN         1:GLU-_10:HN        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_29:HA        1:ARG+_24:HA        2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_47:HN       1:MET_28:HA         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HD*        1:LEU_12:HB*        2.500  6.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HD*        1:LEU_12:HD*        3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HE*        1:LEU_12:HD*        3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HE*        1:LEU_12:HB*        2.500  6.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HD1       1:VAL_25:HGR*       2.500  6.500  5.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HH2       1:THR_32:HG*        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_7:HE*        1:LYS+_8:HB*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HD*        1:VAL_14:HB         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HH2       1:LYS+_21:HB*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HD*       1:ILE_29:HG2*       3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HE*       1:VAL_3:HGR*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HE*       1:VAL_45:HG*        3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HE*       1:GLU_35:HG*        2.500  9.234  6.234  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HD*        1:TYR_7:HB*         3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ASP-_15:HN       1:VAL_14:HG*        2.500  5.900  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_30:HN        1:ILE_29:HG2*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HN        1:ARG+_42:HA        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_32:HA        1:ARG+_42:HA        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_43:HN        1:PHE_31:HN         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HN        1:ALA_44:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HN        1:VAL_45:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HN       1:PRO_51:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HN        1:PHE_31:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLY_43:HN        1:THR_32:HA         2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HA        1:VAL_22:HA         2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_18:HN       1:ILE_19:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_48:HN       1:ASP-_49:HN        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_9:HN         1:GLU-_10:HN        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HN        1:MET_57:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_47:HN       1:LYS+_48:HN        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:SER_17:HN        1:LYS+_18:HN        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_27:HN       1:MET_28:HN         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_8:HN        1:GLY_9:HN          2.000  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HN       1:LEU_54:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_19:HN        1:ILE_19:HD1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HD*       1:ILE_19:HD1*       3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HE*       1:ILE_19:HD1*       3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HE*       1:ILE_19:HG1*       2.500  6.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HB*       1:ILE_19:HG1*       2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_19:HA        1:TYR_33:HB*        2.500  5.227  4.227  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_19:HA        1:TYR_33:HA         2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HA        1:ILE_19:HD1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_19:HG2*      1:ILE_19:HD1*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_32:HA        1:THR_32:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_43:HN        1:TYR_33:HE*        4.000  8.000  6.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HD*       1:ARG+_42:HA        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HE*       1:ARG+_42:HA        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HD*        1:PHE_31:HZ         2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HD*        1:PHE_31:HE*        3.500  9.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HH2       1:PHE_31:HA         2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TRP_23:HE3       1:PHE_31:HA         2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HD*       1:THR_32:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HD*       1:PHE_31:HE*        3.500  9.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HD*       1:GLU_35:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HE*       1:GLU_35:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HD*       1:SER_30:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HE*       1:ALA_44:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064   
1:TYR_33:HD*       1:GLU_35:HG*        3.500  9.945  6.945  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_14:HG*       1:TYR_33:HE*        3.500 12.245  7.845  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_14:HG*       1:TYR_33:HD*        3.500 12.245  7.845  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HD*       1:VAL_45:HG*        3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_7:HD*        1:LYS+_8:HB*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HE1       1:VAL_25:HGR*       3.500  7.000  6.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_14:HG*       1:PHE_5:HD*         3.500 12.245  7.845  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_40:HN        1:LYS+_39:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_18:HN       1:ASP-_15:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:SER_46:HN        1:MET_28:HG*        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU_35:HN        1:THR_40:HA         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HN         1:ASP-_15:HA        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_4:HA        1:LYS+_4:HBR        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HD*        1:GLY_43:HA*        2.500  9.232  6.232  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HE*        1:PHE_31:HE*        3.500  9.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HE*        1:TYR_33:HE*        3.500  9.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_5:HD*        1:ALA_44:HN         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_32:HB        1:THR_40:HG*        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_32:HB        1:THR_32:HG*        2.000  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_14:HA        1:ASP-_15:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_14:HG*       1:ILE_19:HD1*       3.500 10.222  6.822  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HA        1:ILE_16:HG1*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HA        1:ILE_19:HG1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PRO_51:HD*       1:VAL_45:HG*        3.500  8.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALAN_1:HA        1:ILE_16:HD1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_18:HA       1:LYS+_18:HD*       3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_19:HB        1:ILE_19:HD1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_20:HN       1:TYR_33:HA         2.500  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_20:HN       1:ILE_19:HG2*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_22:HA        1:PHE_31:HB*        3.500  5.924  4.924  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_58:HD*       1:ILE_29:HG2*       5.500  8.500  8.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HE1       1:SER_30:HB*        3.500  5.922  4.922  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HE3       1:LYS+_21:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:MET_28:HN        1:GLY_26:HA*        3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064  
1:THR_32:HA        1:THR_32:HG*        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HZ        1:GLY_43:HA*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HE*       1:GLY_43:HA*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HE*       1:VAL_45:HB         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HD*       1:ALA_44:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ASP-_34:HN       1:TYR_33:HD*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU-_47:HA       1:ILE_29:HG1*       3.500  6.000  6.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU-_47:HA       1:ALA_50:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HA       1:GLN_56:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_42:HA       1:THR_32:HG*        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALA_44:HN        1:PHE_31:HZ         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_45:HN        1:PHE_31:HE*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU-_47:HN       1:ILE_29:HG1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_48:HN       1:SER_46:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_48:HN       1:SER_46:HB*        2.900  4.500  4.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALA_50:HN        1:GLU-_47:HA        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_58:HN        1:LEU_58:HD*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_14:HG*       1:PHE_5:HE*         3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_52:HB*      1:LEU_54:HB*        2.500  8.000  6.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLU-_53:HN       1:PRO_51:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:MET_57:HG*       1:LEU_58:HG         1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:LYS+_60:HN       1:LEU_58:HA         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_61:HG*       1:GLU-_59:HB*       3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:PRO_51:HG*       1:VAL_3:HGR*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LY+C_62:HN       1:LY+C_62:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:SER_46:HB*       1:MET_28:HB*        2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_14:HG*       1:TYR_33:HB*        3.500  9.337  5.937  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_24:HN       1:TRP_23:HD1        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PRO_51:HD*       1:LEU_54:HD*        2.500  6.900  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLY_43:HN        1:ARG+_42:HB*       3.500  5.923  4.923  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HE*       1:GLY_41:HA*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_6:HA        1:LYS+_6:HG*        3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HE*       1:ASP-_34:HA        3.500  6.000  6.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_33:HD*       1:ASP-_34:HA        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_12:HA        1:LEU_12:HB*        2.500  4.389  3.389  1.00  1.00 1000.000  0.00 !medium:noeh2064 
1:PHE_5:HN         1:PHE_5:HD*         2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HA         1:VAL_45:HG*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_7:HN         1:GLU-_11:HA        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_13:HN        1:GLN_13:HB*        1.000  7.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:VAL_14:HG*       1:PHE_31:HE*        3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_14:HG*       1:LYS+_18:HB*       3.500 10.222  6.822  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HD1*      1:GLU-_53:HG*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_19:HD1*      1:TYR_33:HB*        3.500  7.937  5.937  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_19:HG2*      1:PHE_31:HB*        2.500  7.231  5.231  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HB*       1:VAL_22:HG*        3.500 10.749  7.349  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HD*       1:VAL_22:HG*        3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ARG+_24:HD*      1:ARG+_24:HB*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HA        1:VAL_25:HN         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALA_44:HB*       1:MET_28:HB*        2.500  7.230  5.230  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_45:HN        1:ILE_29:HB         3.000  4.500  4.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_31:HD*       1:TYR_33:HB*        1.000  9.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:PHE_31:HD*       1:ILE_19:HG2*       3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_33:HD*       1:TYR_33:HE*        1.700  6.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLU-_47:HA       1:LEU_55:HD*        1.000  8.400  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:LEU_55:HD*       1:GLU-_47:HG*       3.500  8.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064   
1:LYS+_52:HA       1:GLN_56:HN         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LYS+_52:HA       1:LEU_55:HN         1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:GLU-_53:HA       1:MET_57:HN         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLU-_53:HA       1:GLN_56:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:GLN_56:HA        1:GLU-_59:HN        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:PHE_5:HB*        1:LEU_12:HB*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HD1*      1:ILE_19:HD1*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HG1*      1:ILE_19:HD1*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_22:HA        1:THR_32:HN         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ALA_50:HA        1:PRO_51:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_29:HN        1:SER_46:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_3:HA         1:VAL_3:HN          2.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_39:HN       1:LYS+_39:HB*       1.000  7.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:LYS+_39:HN       1:LYS+_39:HG*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LYS+_39:HN       1:GLY_36:HA*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:VAL_22:HN        1:LYS+_21:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TRP_23:HN        1:SER_30:HN         2.500  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_29:HN        1:MET_28:HA         1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:TRP_23:HE3       1:TRP_23:HZ3        1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noeh2064
1:GLY_26:HN        1:LYS+_27:HN        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:PHE_31:HN        1:TRP_23:HH2        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:THR_32:HN        1:THR_32:HG*        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:THR_32:HN        1:PHE_31:HB*        1.000  6.454  5.454  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:THR_32:HN        1:TRP_23:HH2        1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:GLY_41:HN        1:ASP-_34:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ARG+_42:HN       1:TYR_33:HE*        1.000  8.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:GLY_36:HN        1:ASP-_34:HA        1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noeh2064  
1:ALA_50:HN        1:VAL_45:HG*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:GLY_37:HN        1:ASP-_34:HA        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_58:HN        1:LEU_55:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LY+C_62:HN       1:LY+C_62:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_7:HD*        1:LEU_12:HD*        3.500  9.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:TYR_7:HN         1:LEU_12:HD*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:LEU_55:HN        1:LEU_54:HN         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:LEU_12:HA        1:LEU_12:HD*        2.500  5.900  3.500  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ALA_50:HA        1:PRO_51:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:VAL_14:HG*       1:LYS+_18:HD*       3.500  8.400  5.000  1.00  1.00 1000.000  0.00 !weak:noeh2064  
1:ILE_16:HN        1:ILE_19:HG1*       3.500  5.500  5.500  1.00  1.00 1000.000  0.00 !medium:noeh2064 
1:THR_2:HA         1:THR_2:HG*         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:LYS+_18:HB*      1:LYS+_18:HG*       2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:THR_40:HA        1:THR_40:HG*        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:ARG+_24:HA       1:ARG+_24:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:MET_28:HA        1:MET_28:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:MET_28:HA        1:MET_28:HG*        3.000  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d     
1:ASP-_49:HA       1:ASP-_49:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:TYR_7:HA         1:TYR_7:HB*         2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:THR_40:HA        1:GLU_35:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:THR_2:HA         1:THR_2:HB          1.700  2.500  2.500  1.00  1.00 1000.000  0.00 !strong:noe75d 
1:VAL_3:HB         1:VAL_3:HGR*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:VAL_3:HB         1:VAL_3:HGS*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:LYS+_4:HE*       1:LYS+_4:HD*        2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:ILE_16:HB        1:ILE_16:HG2*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:ILE_16:HB        1:ILE_16:HG1*       2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:ILE_19:HN        1:ILE_19:HG1*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d   
1:ILE_19:HA        1:ILE_19:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:ILE_19:HG1*      1:ILE_19:HD1*       2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d   
1:VAL_25:HGR*      1:VAL_25:HB         2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:PHE_31:HN        1:PHE_31:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TRP_23:HE3       1:TRP_23:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:ARG+_24:HA       1:ARG+_24:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:THR_32:HN        1:THR_32:HB         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d  
1:THR_40:HA        1:THR_40:HB         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d   
1:VAL_45:HA        1:VAL_45:HB         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:LYS+_52:HE*      1:LYS+_52:HG*       2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:TRP_23:HN        1:TRP_23:HA         1.000  6.000  6.000  1.00  1.00 1000.000  0.00 !qual:noe75d
1:THR_32:HN        1:PHE_31:HD*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:ILE_16:HA        1:ILE_19:HB         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:GLU-_10:HA       1:GLU-_10:HB*       1.700  3.500  2.500  1.00  1.00 1000.000  0.00 !strong:noe75d  
1:GLU-_10:HA       1:GLU-_10:HG*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:LYS+_18:HA       1:LYS+_18:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:GLY_41:HN        1:THR_40:HG*        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:LYS+_20:HA       1:LYS+_20:HB*       1.000  4.511  4.511  1.00  1.00 1000.000  0.00 !qual:noe75d
1:LYS+_48:HE*      1:LYS+_48:HG*       2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:SER_30:HN        1:ARG+_24:HA        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noe75d
1:GLN_61:HA        1:GLN_61:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:ILE_19:HN        1:LYS+_18:HA        2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:SER_30:HA        1:SER_30:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:ARG+_42:HA       1:ARG+_42:HD*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:PRO_51:HA        1:PRO_51:HB*        2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:PRO_51:HA        1:PRO_51:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d           
1:PRO_51:HD*       1:LEU_54:HB*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:PRO_51:HD*       1:PRO_51:HB*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d        
1:PRO_51:HB*       1:PRO_51:HG*        1.700  4.500  2.500  1.00  1.00 1000.000  0.00 !strong:noe75d    
1:LEU_54:HA        1:LEU_54:HG         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:LY+C_62:HA       1:LY+C_62:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:TRP_23:HZ3       1:PHE_31:HA         2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:TRP_23:HZ3       1:THR_32:HG*        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:TRP_23:HZ3       1:ARG+_42:HG*       3.500  7.000  6.000  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:THR_2:HG*        1:ASP-_15:HA        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:ILE_29:HN        1:MET_28:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:THR_2:HA         1:ASP-_15:HA        2.500  3.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:ALA_44:HA        1:SER_30:HA         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noe75d
1:GLU-_47:HA       1:LEU_54:HD*        3.500  7.900  5.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:TRP_23:HZ3       1:VAL_22:HA         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:LEU_54:HN        1:LYS+_52:HA        3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:SER_46:HB*       1:ASP-_49:HB*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d     
1:PRO_51:HG*       1:VAL_3:HGS*        2.500  5.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d
1:PHE_5:HE*        1:PHE_31:HZ         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:PHE_5:HB*        1:VAL_45:HB         3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TYR_7:HE*        1:LYS+_8:HG*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:TYR_7:HD*        1:LYS+_8:HG*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:VAL_14:HG*       1:VAL_14:HB         2.000  5.900  3.500  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:LYS+_18:HA       1:ASP-_34:HB*       3.500  6.500  5.500  1.00  1.00 1000.000  0.00 !weak:noe75d  
1:TYR_33:HD*       1:ILE_19:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TYR_33:HE*       1:ILE_19:HA         3.500  8.000  6.000  1.00  1.00 1000.000  0.00 !weak:noe75d  
1:THR_32:HN        1:ILE_19:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:THR_32:HN        1:LYS+_21:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TYR_33:HD*       1:ILE_19:HD1*       3.500  9.000  6.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TYR_33:HA        1:ILE_19:HD1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:TYR_33:HA        1:ILE_19:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:TYR_33:HA        1:ILE_19:HG1*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TRP_23:HZ3       1:LYS+_21:HB*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:PHE_31:HA        1:VAL_22:HG*        3.500  8.400  6.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TRP_23:HD1       1:VAL_25:HB         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:GLY_43:HN        1:PHE_31:HE*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:PHE_31:HN        1:ALA_44:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:ARG+_42:HA       1:THR_32:HB         3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:GLY_43:HN        1:TYR_33:HD*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:LEU_55:HN        1:ALA_50:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:PRO_51:HB*       1:LEU_54:HD*        3.500  8.400  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:SER_30:HN        1:ALA_44:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:ILE_29:HN        1:ALA_44:HB*        3.500  5.500  5.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:TRP_23:HZ2       1:SER_30:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:ILE_19:HN        1:ILE_16:HA         2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !medium:noe75d
1:THR_32:HA        1:THR_40:HG*        3.500  5.500  5.500  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TYR_33:HA        1:VAL_14:HB         3.500  6.000  6.000  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:VAL_22:HA        1:ILE_29:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:SER_30:HA        1:ALA_44:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:ASP-_49:HB*      1:VAL_45:HG*        3.500  8.400  5.000  1.00  1.00 1000.000  0.00 !medium:noe75d
1:TYR_7:HB*        1:LEU_12:HD*        3.500  8.400  5.000  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:PHE_31:HB*       1:ILE_19:HD1*       3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:SER_17:HA        1:ILE_16:HD1*       3.500  7.000  6.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:PRO_51:HD*       1:VAL_3:HGS*        3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:ILE_29:HA        1:ALA_44:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:GLU-_11:HA       1:LYS+_6:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:SER_17:HA        1:ILE_16:HG2*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:THR_2:HB         1:GLN_13:HG*        2.500  5.000  4.000  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:LEU_54:HN        1:PRO_51:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:TRP_23:HE3       1:VAL_22:HG*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:PRO_51:HB*       1:VAL_3:HGS*        3.500  8.000  6.000  1.00  1.00 1000.000  0.00 !medium:noe75d
1:ASP-_34:HA       1:ASP-_34:HB*       2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:ILE_19:HB        1:ILE_19:HG2*       2.500  4.500  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:PHE_31:HZ        1:VAL_45:HG*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:PHE_31:HD*       1:VAL_22:HA         3.500  7.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:PHE_31:HZ        1:VAL_14:HG*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:PHE_31:HA        1:LYS+_21:HB*       3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:PHE_31:HE*       1:TYR_33:HB*        3.500  8.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:LEU_55:HA        1:LEU_58:HB*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:ASP-_15:HA       1:THR_2:HB          3.500  5.000  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:LYS+_4:HA        1:GLN_13:HG*        3.500  6.000  5.000  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:GLU-_10:HB*      1:LEU_12:HD*        2.500  6.900  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:GLU-_10:HG*      1:GLU-_10:HB*       1.000  8.000  6.000  1.00  1.00 1000.000  0.00 !qual:noe75d 
1:LYS+_18:HB*      1:LYS+_18:HD*       2.500  4.000  4.000  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:LEU_54:HD*       1:LEU_54:HA         2.500  4.221  4.221  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:LEU_54:HD*       1:LEU_54:HB*        2.500  6.900  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:LEU_55:HD*       1:LEU_54:HD*        2.500  8.300  3.500  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:MET_57:HB*       1:LEU_54:HD*        3.500  8.400  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:LEU_54:HD*       1:ILE_19:HD1*       3.500  6.824  6.824  1.00  1.00 1000.000  0.00 !medium:noe75d 
1:LEU_54:HN        1:LEU_54:HD*        3.500  7.400  5.000  1.00  1.00 1000.000  0.00 !weak:noe75d
1:PHE_5:HB*        1:VAL_45:HG*        3.500  7.352  7.352  1.00  1.00 1000.000  0.00 !weak:noe75d 
1:LEU_55:HN        1:LEU_55:HD*        3.500  5.792  5.792  1.00  1.00 1000.000  0.00 !weak:noe75d    
1:LEU_55:HA        1:LEU_55:HD*        2.500  4.219  4.219  1.00  1.00 1000.000  0.00 !medium:noe75d
1:LEU_55:HG        1:LEU_55:HD*        1.700  3.000  3.000  1.00  1.00 1000.000  0.00 !medium:noe75d  
1:ALA_50:HB*       1:LEU_55:HD*        2.500  5.272  5.272  1.00  1.00 1000.000  0.00 !medium:noe75d
1:ASP-_34:HN       1:LYS+_18:HD*       2.500  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:ILE_16:HA        1:LEU_54:HG         2.500  5.000  5.000  1.00  1.00 1000.000  0.00 !medium:noeh2064
1:TYR_7:HN         1:GLU-_10:O         1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:LYS+_18:HN       1:ASP-_15:O         1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:TRP_23:HN        1:SER_30:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:SER_30:HN        1:TRP_23:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:PHE_31:HN        1:GLY_43:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:THR_32:HN        1:LYS+_21:O         1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:TYR_33:HN        1:GLY_41:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:GLY_41:HN        1:TYR_33:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:GLY_43:HN        1:PHE_31:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:ILE_29:HN        1:VAL_45:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:MET_57:HN        1:LEU_54:O          1.500  2.500  2.500  1.00  1.00 1000.000  0.00
1:LEU_55:HN        1:LYS+_52:O         1.500  2.500  2.500  1.00  1.00 1000.000  0.00
1:LEU_54:HN        1:PRO_51:O          1.500  2.500  2.500  1.00  1.00 1000.000  0.00
1:ILE_19:HN        1:ILE_16:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
1:VAL_14:HN        1:VAL_3:O           1.500  3.000  3.000  1.00  1.00 1000.000  0.00   
1:VAL_45:HN        1:ILE_29:O          1.500  3.000  3.000  1.00  1.00 1000.000  0.00
!
#mixing_times
1.500000E-01 
!
#NMR_dihedral
1:LYS+_4:N         1:LYS+_4:CA        1:LYS+_4:CB        1:LYS+_4:CG        -90.000 -30.000  1.00  1.00 1000.000
1:VAL_3:N          1:VAL_3:CA         1:VAL_3:CB         1:VAL_3:HB         90.000 30.000  1.00  1.00 1000.000
1:VAL_25:N         1:VAL_25:CA        1:VAL_25:CB        1:VAL_25:HB        90.000 30.000  1.00  1.00 1000.000
1:TYR_7:C          1:LYS+_8:N         1:LYS+_8:CA        1:LYS+_8:C         -90.000 -30.000  1.00  1.00 1000.000
1:LYS+_8:N         1:LYS+_8:CA        1:LYS+_8:C         1:GLY_9:N          -60.000 0.000  1.00  1.00 1000.000
1:LYS+_8:C         1:GLY_9:N          1:GLY_9:CA         1:GLY_9:C          -120.000 -60.000  1.00  1.00 1000.000
1:GLY_9:N          1:GLY_9:CA         1:GLY_9:C          1:GLU-_10:N        -30.000 30.000  1.00  1.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1   1.458   0.676   9.201
    2   2H    ALA   1          2H        ALA   1   1.583   2.136   9.964
    3   3H    ALA   1          3H        ALA   1   0.118   1.378   9.866
    4    HA   ALA   1           HA       ALA   1   0.199   3.217   8.284
    5   1HB   ALA   1          1HB       ALA   1   1.865   3.046   6.399
    6   2HB   ALA   1          2HB       ALA   1   2.568   1.587   7.146
    7   3HB   ALA   1          3HB       ALA   1   2.698   3.162   7.973
    8    H    THR   2           H        THR   2  -1.700   2.622   7.655
    9    HA   THR   2           HA       THR   2  -1.900   0.269   5.693
   10    HB   THR   2           HB       THR   2  -4.207  -0.145   6.599
   11    HG1  THR   2           HG1      THR   2  -4.447   1.928   7.495
   12   1HG2  THR   2          1HG2      THR   2  -1.994  -0.326   8.749
   13   2HG2  THR   2          2HG2      THR   2  -2.270  -1.518   7.450
   14   3HG2  THR   2          3HG2      THR   2  -3.503  -1.274   8.714
   15    H    VAL   3           H        VAL   3  -3.743   0.432   4.322
   16    HA   VAL   3           HA       VAL   3  -4.541   3.351   3.776
   17    HB   VAL   3           HB       VAL   3  -3.887   1.158   1.720
   18   1HG1  VAL   3          1HG2      VAL   3  -5.671   2.675   0.862
   19   2HG1  VAL   3          2HG2      VAL   3  -4.131   3.087   0.079
   20   3HG1  VAL   3          3HG2      VAL   3  -4.751   4.106   1.403
   21   1HG2  VAL   3          1HG1      VAL   3  -1.792   2.079   2.721
   22   2HG2  VAL   3          2HG1      VAL   3  -2.392   3.745   2.498
   23   3HG2  VAL   3          3HG1      VAL   3  -2.006   2.732   1.082
   24    H    LYS   4           H        LYS   4  -6.600   3.638   3.856
   25    HA   LYS   4           HA       LYS   4  -8.386   1.255   4.114
   26   1HB   LYS   4          2HB       LYS   4  -9.054   4.255   3.925
   27   2HB   LYS   4          1HB       LYS   4 -10.233   2.980   4.262
   28   1HG   LYS   4          2HG       LYS   4  -8.842   2.268   6.271
   29   2HG   LYS   4          1HG       LYS   4  -7.783   3.658   6.014
   30   1HD   LYS   4          1HD       LYS   4 -10.828   3.842   6.479
   31   2HD   LYS   4          2HD       LYS   4  -9.606   4.021   7.742
   32   1HE   LYS   4          1HE       LYS   4  -8.589   5.972   6.472
   33   2HE   LYS   4          2HE       LYS   4  -9.893   5.851   5.274
   34   1HZ   LYS   4          1HZ       LYS   4 -11.502   6.186   7.080
   35   2HZ   LYS   4          2HZ       LYS   4 -10.289   6.304   8.195
   36   3HZ   LYS   4          3HZ       LYS   4 -10.437   7.447   7.011
   37    H    PHE   5           H        PHE   5  -9.964   0.627   2.703
   38    HA   PHE   5           HA       PHE   5 -10.278   2.061   0.109
   39   1HB   PHE   5          2HB       PHE   5  -8.098   0.847  -0.221
   40   2HB   PHE   5          1HB       PHE   5  -8.885  -0.688   0.173
   41    HD1  PHE   5           HD1      PHE   5  -9.390   2.233  -2.079
   42    HD2  PHE   5           HD2      PHE   5  -9.687  -1.919  -1.581
   43    HE1  PHE   5           HE1      PHE   5 -10.094   2.007  -4.383
   44    HE2  PHE   5           HE2      PHE   5 -10.390  -2.145  -3.884
   45    HZ   PHE   5           HZ       PHE   5 -10.594  -0.182  -5.286
   46    H    LYS   6           H        LYS   6 -12.366   1.962   1.158
   47    HA   LYS   6           HA       LYS   6 -13.660  -0.719   1.349
   48   1HB   LYS   6          2HB       LYS   6 -15.723   0.504   1.877
   49   2HB   LYS   6          1HB       LYS   6 -14.384   1.182   2.813
   50   1HG   LYS   6          1HG       LYS   6 -14.167   3.075   1.173
   51   2HG   LYS   6          2HG       LYS   6 -15.368   2.317   0.121
   52   1HD   LYS   6          2HD       LYS   6 -16.498   4.066   1.342
   53   2HD   LYS   6          1HD       LYS   6 -17.095   2.528   1.976
   54   1HE   LYS   6          1HE       LYS   6 -15.549   2.733   3.959
   55   2HE   LYS   6          2HE       LYS   6 -14.857   4.217   3.275
   56   1HZ   LYS   6          1HZ       LYS   6 -17.721   3.845   4.022
   57   2HZ   LYS   6          2HZ       LYS   6 -16.606   4.706   4.883
   58   3HZ   LYS   6          3HZ       LYS   6 -17.077   5.229   3.389
   59    H    TYR   7           H        TYR   7 -14.586  -1.792  -0.209
   60    HA   TYR   7           HA       TYR   7 -14.570  -0.596  -2.940
   61   1HB   TYR   7          2HB       TYR   7 -14.061  -3.028  -2.519
   62   2HB   TYR   7          1HB       TYR   7 -15.709  -3.280  -1.935
   63    HD1  TYR   7           HD1      TYR   7 -14.098  -1.648  -4.881
   64    HD2  TYR   7           HD2      TYR   7 -17.101  -4.211  -3.470
   65    HE1  TYR   7           HE1      TYR   7 -14.841  -2.029  -7.150
   66    HE2  TYR   7           HE2      TYR   7 -17.841  -4.595  -5.741
   67    HH   TYR   7           HH       TYR   7 -16.247  -3.041  -8.453
   68    H    LYS   8           H        LYS   8 -17.074  -2.001  -0.848
   69    HA   LYS   8           HA       LYS   8 -18.956   0.213  -1.778
   70   1HB   LYS   8          2HB       LYS   8 -19.615  -2.797  -1.724
   71   2HB   LYS   8          1HB       LYS   8 -20.845  -1.529  -1.771
   72   1HG   LYS   8          2HG       LYS   8 -18.647  -1.935  -3.881
   73   2HG   LYS   8          1HG       LYS   8 -20.345  -2.405  -4.059
   74   1HD   LYS   8          2HD       LYS   8 -21.039   0.005  -3.694
   75   2HD   LYS   8          1HD       LYS   8 -19.337   0.475  -3.601
   76   1HE   LYS   8          2HE       LYS   8 -20.662  -0.895  -6.032
   77   2HE   LYS   8          1HE       LYS   8 -20.337   0.843  -5.896
   78   1HZ   LYS   8          1HZ       LYS   8 -18.562  -0.299  -7.089
   79   2HZ   LYS   8          2HZ       LYS   8 -17.961   0.328  -5.684
   80   3HZ   LYS   8          3HZ       LYS   8 -18.257  -1.292  -5.804
   81    H    GLY   9           H        GLY   9 -20.117  -2.517  -0.086
   82   1HA   GLY   9          1HA       GLY   9 -20.338  -0.787   2.425
   83   2HA   GLY   9          2HA       GLY   9 -21.370  -2.166   2.039
   84    H    GLU  10           H        GLU  10 -18.029  -2.555   1.398
   85    HA   GLU  10           HA       GLU  10 -17.640  -4.038   4.060
   86   1HB   GLU  10          1HB       GLU  10 -16.837  -5.003   1.246
   87   2HB   GLU  10          2HB       GLU  10 -16.339  -5.769   2.759
   88   1HG   GLU  10          1HG       GLU  10 -18.767  -6.158   3.361
   89   2HG   GLU  10          2HG       GLU  10 -19.259  -5.439   1.819
   90    H    GLU  11           H        GLU  11 -16.198  -2.902   5.057
   91    HA   GLU  11           HA       GLU  11 -14.225  -1.269   3.587
   92   1HB   GLU  11          1HB       GLU  11 -13.220  -0.785   5.792
   93   2HB   GLU  11          2HB       GLU  11 -14.972  -0.589   5.837
   94   1HG   GLU  11          2HG       GLU  11 -15.205  -2.872   6.919
   95   2HG   GLU  11          1HG       GLU  11 -13.444  -3.065   6.879
   96    H    LEU  12           H        LEU  12 -12.206  -1.641   3.091
   97    HA   LEU  12           HA       LEU  12 -10.952  -4.303   3.921
   98   1HB   LEU  12          2HB       LEU  12 -10.978  -3.139   1.063
   99   2HB   LEU  12          1HB       LEU  12 -10.065  -4.561   1.565
  100    HG   LEU  12           HG       LEU  12 -13.137  -4.349   1.646
  101   1HD1  LEU  12          1HD2      LEU  12 -13.027  -5.838  -0.363
  102   2HD1  LEU  12          2HD2      LEU  12 -11.245  -5.750  -0.344
  103   3HD1  LEU  12          3HD2      LEU  12 -12.207  -4.285  -0.679
  104   1HD2  LEU  12          1HD1      LEU  12 -13.000  -6.858   1.908
  105   2HD2  LEU  12          2HD1      LEU  12 -11.224  -6.747   2.024
  106   3HD2  LEU  12          3HD1      LEU  12 -12.252  -6.023   3.291
  107    H    GLN  13           H        GLN  13  -8.764  -4.316   3.895
  108    HA   GLN  13           HA       GLN  13  -7.416  -1.574   3.594
  109   1HB   GLN  13          2HB       GLN  13  -7.027  -3.601   5.884
  110   2HB   GLN  13          1HB       GLN  13  -6.021  -2.172   5.616
  111   1HG   GLN  13          2HG       GLN  13  -8.059  -0.691   5.852
  112   2HG   GLN  13          1HG       GLN  13  -9.055  -2.122   6.172
  113   1HE2  GLN  13          2HE2      GLN  13  -9.521  -1.141   8.182
  114   2HE2  GLN  13          1HE2      GLN  13  -8.335  -1.295   9.574
  115    H    VAL  14           H        VAL  14  -5.436  -1.604   2.827
  116    HA   VAL  14           HA       VAL  14  -4.240  -4.334   2.106
  117    HB   VAL  14           HB       VAL  14  -3.431  -3.366  -0.021
  118   1HG1  VAL  14          1HG1      VAL  14  -6.489  -3.177   0.312
  119   2HG1  VAL  14          2HG1      VAL  14  -5.612  -3.430  -1.219
  120   3HG1  VAL  14          3HG1      VAL  14  -5.565  -4.681   0.052
  121   1HG2  VAL  14          1HG2      VAL  14  -5.243  -0.943   0.609
  122   2HG2  VAL  14          2HG2      VAL  14  -3.458  -0.915   0.557
  123   3HG2  VAL  14          3HG2      VAL  14  -4.389  -1.255  -0.917
  124    H    ASP  15           H        ASP  15  -2.221  -4.593   2.530
  125    HA   ASP  15           HA       ASP  15  -0.880  -2.389   4.070
  126   1HB   ASP  15          2HB       ASP  15  -0.858  -4.844   4.762
  127   2HB   ASP  15          1HB       ASP  15   0.149  -5.200   3.350
  128    H    ILE  16           H        ILE  16   0.998  -1.373   3.470
  129    HA   ILE  16           HA       ILE  16   1.245  -1.107   0.526
  130    HB   ILE  16           HB       ILE  16   2.979   0.160   2.730
  131   1HG1  ILE  16          1HG1      ILE  16   1.299   2.103   1.569
  132   2HG1  ILE  16          2HG1      ILE  16   0.225   0.714   1.731
  133   1HG2  ILE  16          1HG2      ILE  16   2.582   0.859  -0.250
  134   2HG2  ILE  16          2HG2      ILE  16   4.098   0.287   0.497
  135   3HG2  ILE  16          3HG2      ILE  16   3.447   1.878   0.926
  136   1HD1  ILE  16          1HD1      ILE  16   0.196   2.140   3.811
  137   2HD1  ILE  16          2HD1      ILE  16   1.958   1.934   3.996
  138   3HD1  ILE  16          3HD1      ILE  16   0.872   0.533   4.193
  139    H    SER  17           H        SER  17   3.006  -2.701   3.091
  140    HA   SER  17           HA       SER  17   5.385  -3.118   1.352
  141   1HB   SER  17          2HB       SER  17   4.650  -4.487   4.010
  142   2HB   SER  17          1HB       SER  17   6.240  -4.520   3.228
  143    HG   SER  17           HG       SER  17   6.062  -2.896   4.809
  144    H    LYS  18           H        LYS  18   2.413  -4.767   1.957
  145    HA   LYS  18           HA       LYS  18   3.490  -7.383   0.945
  146   1HB   LYS  18          2HB       LYS  18   0.610  -6.491   1.546
  147   2HB   LYS  18          1HB       LYS  18   1.094  -8.137   1.107
  148   1HG   LYS  18          2HG       LYS  18   2.649  -8.208   3.096
  149   2HG   LYS  18          1HG       LYS  18   2.128  -6.579   3.556
  150   1HD   LYS  18          2HD       LYS  18  -0.273  -7.402   3.672
  151   2HD   LYS  18          1HD       LYS  18   0.281  -9.039   3.302
  152   1HE   LYS  18          2HE       LYS  18   1.194  -7.371   5.737
  153   2HE   LYS  18          1HE       LYS  18  -0.041  -8.643   5.781
  154   1HZ   LYS  18          1HZ       LYS  18   2.801  -9.053   4.979
  155   2HZ   LYS  18          2HZ       LYS  18   2.131  -9.504   6.420
  156   3HZ   LYS  18          3HZ       LYS  18   1.646 -10.233   5.019
  157    H    ILE  19           H        ILE  19   2.190  -4.509  -0.372
  158    HA   ILE  19           HA       ILE  19   1.115  -5.865  -2.822
  159    HB   ILE  19           HB       ILE  19   1.684  -2.917  -2.174
  160   1HG1  ILE  19          2HG1      ILE  19  -1.001  -4.314  -2.693
  161   2HG1  ILE  19          1HG1      ILE  19  -0.318  -4.239  -1.075
  162   1HG2  ILE  19          1HG2      ILE  19   1.956  -3.162  -4.631
  163   2HG2  ILE  19          2HG2      ILE  19   0.518  -4.216  -4.723
  164   3HG2  ILE  19          3HG2      ILE  19   0.357  -2.484  -4.361
  165   1HD1  ILE  19          1HD1      ILE  19  -1.867  -2.368  -1.325
  166   2HD1  ILE  19          2HD1      ILE  19  -1.038  -1.782  -2.784
  167   3HD1  ILE  19          3HD1      ILE  19  -0.214  -1.715  -1.203
  168    H    LYS  20           H        LYS  20   2.706  -7.066  -3.640
  169    HA   LYS  20           HA       LYS  20   5.431  -5.863  -4.039
  170   1HB   LYS  20          1HB       LYS  20   4.271  -8.550  -4.990
  171   2HB   LYS  20          2HB       LYS  20   5.976  -8.076  -5.068
  172   1HG   LYS  20          2HG       LYS  20   6.036  -7.832  -2.561
  173   2HG   LYS  20          1HG       LYS  20   4.312  -8.185  -2.479
  174   1HD   LYS  20          2HD       LYS  20   5.492 -10.222  -1.898
  175   2HD   LYS  20          1HD       LYS  20   4.690 -10.469  -3.448
  176   1HE   LYS  20          1HE       LYS  20   6.969 -11.426  -3.496
  177   2HE   LYS  20          2HE       LYS  20   6.879 -10.096  -4.654
  178   1HZ   LYS  20          1HZ       LYS  20   8.871  -9.948  -3.280
  179   2HZ   LYS  20          2HZ       LYS  20   7.903  -8.647  -2.961
  180   3HZ   LYS  20          3HZ       LYS  20   7.984  -9.901  -1.888
  181    H    LYS  21           H        LYS  21   2.903  -7.281  -6.119
  182    HA   LYS  21           HA       LYS  21   4.206  -6.206  -8.547
  183   1HB   LYS  21          1HB       LYS  21   1.278  -7.085  -8.147
  184   2HB   LYS  21          2HB       LYS  21   2.053  -6.826  -9.709
  185   1HG   LYS  21          2HG       LYS  21   2.892  -8.982  -7.658
  186   2HG   LYS  21          1HG       LYS  21   1.878  -9.244  -9.073
  187   1HD   LYS  21          1HD       LYS  21   3.759  -8.440 -10.570
  188   2HD   LYS  21          2HD       LYS  21   4.803  -8.288  -9.147
  189   1HE   LYS  21          2HE       LYS  21   4.455 -10.732  -8.623
  190   2HE   LYS  21          1HE       LYS  21   3.414 -10.888 -10.052
  191   1HZ   LYS  21          1HZ       LYS  21   5.704 -11.521 -10.549
  192   2HZ   LYS  21          2HZ       LYS  21   5.305 -10.182 -11.432
  193   3HZ   LYS  21          3HZ       LYS  21   6.274 -10.037 -10.101
  194    H    VAL  22           H        VAL  22   4.171  -4.265  -9.294
  195    HA   VAL  22           HA       VAL  22   1.750  -2.574  -8.988
  196    HB   VAL  22           HB       VAL  22   2.764  -2.345  -6.743
  197   1HG1  VAL  22          1HG2      VAL  22   5.209  -1.138  -8.190
  198   2HG1  VAL  22          2HG2      VAL  22   4.933  -1.148  -6.433
  199   3HG1  VAL  22          3HG2      VAL  22   5.189  -2.682  -7.295
  200   1HG2  VAL  22          1HG1      VAL  22   1.506  -0.426  -7.759
  201   2HG2  VAL  22          2HG1      VAL  22   3.027   0.223  -8.430
  202   3HG2  VAL  22          3HG1      VAL  22   2.796   0.140  -6.665
  203    H    TRP  23           H        TRP  23   1.601  -1.215 -10.591
  204    HA   TRP  23           HA       TRP  23   4.080  -0.196 -11.940
  205   1HB   TRP  23          1HB       TRP  23   3.533  -1.125 -14.167
  206   2HB   TRP  23          2HB       TRP  23   3.811  -2.426 -13.006
  207    HD1  TRP  23           HD1      TRP  23   0.991  -0.820 -15.134
  208    HE1  TRP  23           HE1      TRP  23  -1.127  -2.411 -15.160
  209    HE3  TRP  23           HE3      TRP  23   2.638  -4.004 -11.703
  210    HZ2  TRP  23           HZ2      TRP  23  -1.751  -4.696 -13.764
  211    HZ3  TRP  23           HZ3      TRP  23   1.255  -5.909 -11.069
  212    HH2  TRP  23           HH2      TRP  23  -0.908  -6.249 -12.089
  213    H    ARG  24           H        ARG  24   3.773   1.737 -12.656
  214    HA   ARG  24           HA       ARG  24   1.045   2.890 -12.294
  215   1HB   ARG  24          1HB       ARG  24   3.624   4.194 -13.355
  216   2HB   ARG  24          2HB       ARG  24   2.152   5.058 -12.883
  217   1HG   ARG  24          2HG       ARG  24   2.365   4.156 -10.538
  218   2HG   ARG  24          1HG       ARG  24   3.783   3.216 -11.019
  219   1HD   ARG  24          1HD       ARG  24   4.547   5.259  -9.902
  220   2HD   ARG  24          2HD       ARG  24   4.997   5.351 -11.620
  221    HE   ARG  24           HE       ARG  24   2.388   6.637 -11.303
  222   1HH1  ARG  24          2HH1      ARG  24   5.746   6.880 -10.426
  223   2HH1  ARG  24          1HH1      ARG  24   5.675   8.711 -10.343
  224   1HH2  ARG  24          1HH2      ARG  24   2.320   8.794 -11.201
  225   2HH2  ARG  24          2HH2      ARG  24   3.828   9.744 -10.761
  226    H    VAL  25           H        VAL  25  -0.421   3.166 -13.763
  227    HA   VAL  25           HA       VAL  25   0.332   3.776 -16.558
  228    HB   VAL  25           HB       VAL  25   0.678   1.330 -16.555
  229   1HG1  VAL  25          1HG2      VAL  25  -2.322   1.105 -15.860
  230   2HG1  VAL  25          2HG2      VAL  25  -0.971   0.634 -14.792
  231   3HG1  VAL  25          3HG2      VAL  25  -1.250  -0.239 -16.316
  232   1HG2  VAL  25          1HG1      VAL  25  -1.822   2.163 -18.156
  233   2HG2  VAL  25          2HG1      VAL  25  -0.132   2.491 -18.629
  234   3HG2  VAL  25          3HG1      VAL  25  -0.726   0.811 -18.538
  235    H    GLY  26           H        GLY  26  -1.156   4.992 -17.435
  236   1HA   GLY  26          2HA       GLY  26  -3.323   6.054 -17.712
  237   2HA   GLY  26          1HA       GLY  26  -4.038   4.670 -16.860
  238    H    LYS  27           H        LYS  27  -5.353   6.377 -15.908
  239    HA   LYS  27           HA       LYS  27  -3.990   8.222 -13.990
  240   1HB   LYS  27          2HB       LYS  27  -6.544   7.211 -14.268
  241   2HB   LYS  27          1HB       LYS  27  -5.495   8.778 -14.934
  242   1HG   LYS  27          1HG       LYS  27  -6.899   9.461 -15.843
  243   2HG   LYS  27          2HG       LYS  27  -6.880   7.732 -16.173
  244   1HD   LYS  27          2HD       LYS  27  -9.153   8.205 -15.934
  245   2HD   LYS  27          1HD       LYS  27  -8.772   7.491 -14.372
  246   1HE   LYS  27          2HE       LYS  27  -8.714  10.542 -14.830
  247   2HE   LYS  27          1HE       LYS  27 -10.226   9.687 -14.502
  248   1HZ   LYS  27          1HZ       LYS  27  -9.284   8.876 -12.414
  249   2HZ   LYS  27          2HZ       LYS  27  -9.256  10.528 -12.464
  250   3HZ   LYS  27          3HZ       LYS  27  -7.863   9.671 -12.696
  251    H    MET  28           H        MET  28  -6.182   5.421 -13.758
  252    HA   MET  28           HA       MET  28  -5.766   5.312 -10.812
  253   1HB   MET  28          2HB       MET  28  -6.980   3.223 -12.728
  254   2HB   MET  28          1HB       MET  28  -7.013   3.122 -10.962
  255   1HG   MET  28          1HG       MET  28  -8.271   5.330 -10.870
  256   2HG   MET  28          2HG       MET  28  -8.311   5.366 -12.646
  257   1HE   MET  28          1HE       MET  28 -10.921   5.536 -12.611
  258   2HE   MET  28          2HE       MET  28 -11.992   4.414 -11.718
  259   3HE   MET  28          3HE       MET  28 -10.894   5.507 -10.821
  260    H    ILE  29           H        ILE  29  -4.131   4.472  -9.818
  261    HA   ILE  29           HA       ILE  29  -2.067   3.004 -11.402
  262    HB   ILE  29           HB       ILE  29  -2.223   3.411  -8.361
  263   1HG1  ILE  29          1HG1      ILE  29  -2.255   5.642  -9.328
  264   2HG1  ILE  29          2HG1      ILE  29  -0.673   5.313  -8.651
  265   1HG2  ILE  29          1HG2      ILE  29   0.129   2.730 -10.225
  266   2HG2  ILE  29          2HG2      ILE  29  -0.588   1.663  -8.988
  267   3HG2  ILE  29          3HG2      ILE  29   0.286   3.132  -8.497
  268   1HD1  ILE  29          1HD1      ILE  29   0.253   4.858 -10.976
  269   2HD1  ILE  29          2HD1      ILE  29  -1.354   5.210 -11.668
  270   3HD1  ILE  29          3HD1      ILE  29  -0.450   6.482 -10.822
  271    H    SER  30           H        SER  30  -2.257   0.986 -11.875
  272    HA   SER  30           HA       SER  30  -4.171  -0.732 -10.343
  273   1HB   SER  30          2HB       SER  30  -2.201  -1.465 -12.601
  274   2HB   SER  30          1HB       SER  30  -3.490  -2.515 -11.978
  275    HG   SER  30           HG       SER  30  -4.114  -1.340 -13.823
  276    H    PHE  31           H        PHE  31  -3.564  -2.744  -9.395
  277    HA   PHE  31           HA       PHE  31  -0.703  -3.218  -8.801
  278   1HB   PHE  31          2HB       PHE  31  -0.757  -2.833  -6.369
  279   2HB   PHE  31          1HB       PHE  31  -1.061  -1.340  -7.250
  280    HD1  PHE  31           HD1      PHE  31  -3.255  -0.320  -7.190
  281    HD2  PHE  31           HD2      PHE  31  -2.490  -3.839  -5.046
  282    HE1  PHE  31           HE1      PHE  31  -5.247   0.050  -5.871
  283    HE2  PHE  31           HE2      PHE  31  -4.481  -3.468  -3.726
  284    HZ   PHE  31           HZ       PHE  31  -5.865  -1.526  -4.143
  285    H    THR  32           H        THR  32  -0.438  -4.965  -7.204
  286    HA   THR  32           HA       THR  32  -2.831  -6.892  -7.295
  287    HB   THR  32           HB       THR  32  -1.179  -8.737  -7.689
  288    HG1  THR  32           HG1      THR  32   0.887  -8.095  -8.380
  289   1HG2  THR  32          1HG2      THR  32  -1.068  -6.526  -9.845
  290   2HG2  THR  32          2HG2      THR  32  -2.391  -7.707  -9.649
  291   3HG2  THR  32          3HG2      THR  32  -0.758  -8.262 -10.103
  292    H    TYR  33           H        TYR  33  -3.322  -6.462  -5.202
  293    HA   TYR  33           HA       TYR  33  -1.197  -6.678  -3.130
  294   1HB   TYR  33          2HB       TYR  33  -2.951  -6.394  -1.471
  295   2HB   TYR  33          1HB       TYR  33  -3.190  -5.224  -2.764
  296    HD1  TYR  33           HD1      TYR  33  -5.049  -5.568  -4.361
  297    HD2  TYR  33           HD2      TYR  33  -4.547  -8.064  -1.033
  298    HE1  TYR  33           HE1      TYR  33  -7.339  -6.311  -4.574
  299    HE2  TYR  33           HE2      TYR  33  -6.838  -8.809  -1.247
  300    HH   TYR  33           HH       TYR  33  -8.914  -7.581  -3.794
  301    H    ASP  34           H        ASP  34  -0.487  -8.404  -2.175
  302    HA   ASP  34           HA       ASP  34  -1.574 -11.037  -3.096
  303   1HB   ASP  34          2HB       ASP  34   0.892 -10.680  -2.775
  304   2HB   ASP  34          1HB       ASP  34   0.634 -10.368  -1.050
  305    H    GLU  35           H        GLU  35  -3.142 -12.067  -2.162
  306    HA   GLU  35           HA       GLU  35  -3.332 -12.149   0.801
  307   1HB   GLU  35          2HB       GLU  35  -4.376  -9.916   0.261
  308   2HB   GLU  35          1HB       GLU  35  -5.511 -10.702  -0.837
  309   1HG   GLU  35          1HG       GLU  35  -6.615 -10.247   1.313
  310   2HG   GLU  35          2HG       GLU  35  -6.506 -11.994   1.094
  311    HE2  GLU  35           HE2      GLU  35  -4.646 -10.060   4.077
  312    H    GLY  36           H        GLY  36  -3.043 -14.327   0.144
  313   1HA   GLY  36          1HA       GLY  36  -5.355 -15.948   0.286
  314   2HA   GLY  36          2HA       GLY  36  -5.228 -15.612  -1.454
  315    H    GLY  37           H        GLY  37  -2.326 -15.445  -1.433
  316   1HA   GLY  37          1HA       GLY  37  -0.410 -16.961  -1.427
  317   2HA   GLY  37          2HA       GLY  37  -1.359 -18.092  -0.439
  318    H    GLY  38           H        GLY  38  -2.555 -16.683  -3.417
  319   1HA   GLY  38          1HA       GLY  38  -1.717 -18.536  -5.388
  320   2HA   GLY  38          2HA       GLY  38  -2.957 -19.446  -4.500
  321    H    LYS  39           H        LYS  39  -4.572 -17.172  -3.827
  322    HA   LYS  39           HA       LYS  39  -6.032 -16.999  -6.430
  323   1HB   LYS  39          2HB       LYS  39  -6.597 -15.618  -3.733
  324   2HB   LYS  39          1HB       LYS  39  -7.700 -15.644  -5.118
  325   1HG   LYS  39          2HG       LYS  39  -7.752 -18.162  -5.034
  326   2HG   LYS  39          1HG       LYS  39  -6.649 -18.143  -3.648
  327   1HD   LYS  39          2HD       LYS  39  -8.314 -16.729  -2.360
  328   2HD   LYS  39          1HD       LYS  39  -9.440 -16.830  -3.720
  329   1HE   LYS  39          1HE       LYS  39  -8.326 -19.254  -2.163
  330   2HE   LYS  39          2HE       LYS  39  -9.924 -18.530  -1.907
  331   1HZ   LYS  39          1HZ       LYS  39 -10.045 -20.420  -3.415
  332   2HZ   LYS  39          2HZ       LYS  39  -8.984 -19.725  -4.472
  333   3HZ   LYS  39          3HZ       LYS  39 -10.470 -19.047  -4.228
  334    H    THR  40           H        THR  40  -4.505 -14.778  -4.159
  335    HA   THR  40           HA       THR  40  -3.598 -12.613  -4.451
  336    HB   THR  40           HB       THR  40  -3.236 -13.495  -7.366
  337    HG1  THR  40           HG1      THR  40  -1.611 -13.756  -5.055
  338   1HG2  THR  40          1HG2      THR  40  -1.775 -11.418  -5.603
  339   2HG2  THR  40          2HG2      THR  40  -1.272 -11.906  -7.243
  340   3HG2  THR  40          3HG2      THR  40  -2.812 -11.044  -7.008
  341    H    GLY  41           H        GLY  41  -5.244 -11.338  -4.022
  342   1HA   GLY  41          1HA       GLY  41  -7.441 -10.860  -5.939
  343   2HA   GLY  41          2HA       GLY  41  -7.115  -9.867  -4.504
  344    H    ARG  42           H        ARG  42  -7.893  -8.509  -6.580
  345    HA   ARG  42           HA       ARG  42  -5.444  -6.929  -7.252
  346   1HB   ARG  42          1HB       ARG  42  -7.082  -8.260  -9.497
  347   2HB   ARG  42          2HB       ARG  42  -5.773  -7.091  -9.734
  348   1HG   ARG  42          1HG       ARG  42  -4.158  -8.660  -8.597
  349   2HG   ARG  42          2HG       ARG  42  -5.475  -9.795  -8.276
  350   1HD   ARG  42          1HD       ARG  42  -4.256 -10.565 -10.254
  351   2HD   ARG  42          2HD       ARG  42  -5.875 -10.038 -10.761
  352    HE   ARG  42           HE       ARG  42  -4.061  -7.759 -11.029
  353   1HH1  ARG  42          1HH2      ARG  42  -4.738 -10.947 -12.244
  354   2HH1  ARG  42          2HH2      ARG  42  -4.081 -10.541 -13.909
  355   1HH2  ARG  42          2HH1      ARG  42  -3.291  -7.295 -12.993
  356   2HH2  ARG  42          1HH1      ARG  42  -3.301  -8.570 -14.313
  357    H    GLY  43           H        GLY  43  -5.897  -4.875  -7.803
  358   1HA   GLY  43          2HA       GLY  43  -8.696  -4.100  -8.543
  359   2HA   GLY  43          1HA       GLY  43  -8.267  -3.638  -6.882
  360    H    ALA  44           H        ALA  44  -8.369  -1.456  -7.345
  361    HA   ALA  44           HA       ALA  44  -5.820  -0.381  -8.443
  362   1HB   ALA  44          1HB       ALA  44  -7.100  -0.790 -10.575
  363   2HB   ALA  44          2HB       ALA  44  -6.876   0.958 -10.299
  364   3HB   ALA  44          3HB       ALA  44  -8.453   0.196  -9.960
  365    H    VAL  45           H        VAL  45  -6.022   2.097  -8.600
  366    HA   VAL  45           HA       VAL  45  -8.098   3.255  -6.819
  367    HB   VAL  45           HB       VAL  45  -6.617   2.153  -5.168
  368   1HG1  VAL  45          1HG2      VAL  45  -4.421   2.256  -6.385
  369   2HG1  VAL  45          2HG2      VAL  45  -4.301   2.989  -4.769
  370   3HG1  VAL  45          3HG2      VAL  45  -4.398   4.033  -6.206
  371   1HG2  VAL  45          1HG1      VAL  45  -6.402   5.227  -5.104
  372   2HG2  VAL  45          2HG1      VAL  45  -7.813   4.273  -4.572
  373   3HG2  VAL  45          3HG1      VAL  45  -6.262   4.132  -3.704
  374    H    SER  46           H        SER  46  -8.393   5.304  -7.277
  375    HA   SER  46           HA       SER  46  -6.824   6.428  -9.513
  376   1HB   SER  46          2HB       SER  46  -8.828   7.828  -7.629
  377   2HB   SER  46          1HB       SER  46  -8.238   8.479  -9.171
  378    HG   SER  46           HG       SER  46  -9.092   6.612 -10.187
  379    H    GLU  47           H        GLU  47  -5.808   8.522  -9.433
  380    HA   GLU  47           HA       GLU  47  -4.040   8.688  -6.954
  381   1HB   GLU  47          1HB       GLU  47  -2.431   9.863  -8.375
  382   2HB   GLU  47          2HB       GLU  47  -2.869   8.307  -9.076
  383   1HG   GLU  47          1HG       GLU  47  -4.453   9.468 -10.681
  384   2HG   GLU  47          2HG       GLU  47  -4.014  11.034  -9.976
  385    H    LYS  48           H        LYS  48  -6.683   9.762  -6.911
  386    HA   LYS  48           HA       LYS  48  -6.362  12.713  -7.279
  387   1HB   LYS  48          2HB       LYS  48  -8.591  11.600  -7.513
  388   2HB   LYS  48          1HB       LYS  48  -8.529  11.081  -5.821
  389   1HG   LYS  48          1HG       LYS  48  -8.309  13.510  -5.110
  390   2HG   LYS  48          2HG       LYS  48  -8.503  14.010  -6.792
  391   1HD   LYS  48          2HD       LYS  48 -10.572  12.350  -5.212
  392   2HD   LYS  48          1HD       LYS  48 -10.630  14.106  -5.397
  393   1HE   LYS  48          1HE       LYS  48 -10.719  13.829  -7.921
  394   2HE   LYS  48          2HE       LYS  48 -10.779  12.068  -7.708
  395   1HZ   LYS  48          1HZ       LYS  48 -12.801  12.357  -6.371
  396   2HZ   LYS  48          2HZ       LYS  48 -13.004  13.012  -7.874
  397   3HZ   LYS  48          3HZ       LYS  48 -12.750  13.997  -6.572
  398    H    ASP  49           H        ASP  49  -6.073  10.322  -4.749
  399    HA   ASP  49           HA       ASP  49  -4.599  12.336  -3.110
  400   1HB   ASP  49          2HB       ASP  49  -7.012  12.822  -2.545
  401   2HB   ASP  49          1HB       ASP  49  -7.236  11.136  -2.051
  402    H    ALA  50           H        ALA  50  -3.144  10.599  -3.782
  403    HA   ALA  50           HA       ALA  50  -3.562   7.957  -2.520
  404   1HB   ALA  50          1HB       ALA  50  -1.040   9.229  -3.799
  405   2HB   ALA  50          2HB       ALA  50  -1.202   7.502  -3.383
  406   3HB   ALA  50          3HB       ALA  50  -2.241   8.217  -4.646
  407    HA   PRO  51           HA       PRO  51  -1.784   9.085   1.484
  408   1HB   PRO  51          2HB       PRO  51   0.209   6.800   1.169
  409   2HB   PRO  51          1HB       PRO  51  -0.828   7.158   2.575
  410   1HG   PRO  51          2HG       PRO  51  -1.546   5.147   0.904
  411   2HG   PRO  51          1HG       PRO  51  -2.795   6.306   1.435
  412   1HD   PRO  51          1HD       PRO  51  -1.328   6.251  -1.252
  413   2HD   PRO  51          2HD       PRO  51  -3.069   6.528  -0.898
  414    H    LYS  52           H        LYS  52   0.209   9.761   2.588
  415    HA   LYS  52           HA       LYS  52   1.933  11.182   0.606
  416   1HB   LYS  52          1HB       LYS  52   2.107  11.089   3.679
  417   2HB   LYS  52          2HB       LYS  52   2.987  12.215   2.633
  418   1HG   LYS  52          1HG       LYS  52   0.796  13.100   1.747
  419   2HG   LYS  52          2HG       LYS  52  -0.083  11.979   2.799
  420   1HD   LYS  52          2HD       LYS  52   1.055  13.005   4.821
  421   2HD   LYS  52          1HD       LYS  52   1.860  14.173   3.765
  422   1HE   LYS  52          2HE       LYS  52  -1.200  13.847   4.032
  423   2HE   LYS  52          1HE       LYS  52  -0.237  15.096   4.842
  424   1HZ   LYS  52          1HZ       LYS  52  -1.192  15.922   2.775
  425   2HZ   LYS  52          2HZ       LYS  52   0.454  15.910   2.647
  426   3HZ   LYS  52          3HZ       LYS  52  -0.443  14.749   1.887
  427    H    GLU  53           H        GLU  53   2.112   8.384   2.657
  428    HA   GLU  53           HA       GLU  53   5.088   8.230   2.437
  429   1HB   GLU  53          2HB       GLU  53   3.031   6.146   3.391
  430   2HB   GLU  53          1HB       GLU  53   4.785   5.955   3.497
  431   1HG   GLU  53          1HG       GLU  53   4.918   8.068   4.902
  432   2HG   GLU  53          2HG       GLU  53   3.150   8.186   4.869
  433    H    LEU  54           H        LEU  54   2.330   7.146   0.650
  434    HA   LEU  54           HA       LEU  54   3.822   4.952  -0.680
  435   1HB   LEU  54          1HB       LEU  54   1.285   5.173  -0.303
  436   2HB   LEU  54          2HB       LEU  54   1.224   6.301  -1.654
  437    HG   LEU  54           HG       LEU  54   2.571   3.577  -2.011
  438   1HD1  LEU  54          1HD1      LEU  54  -0.468   4.100  -2.038
  439   2HD1  LEU  54          2HD1      LEU  54   0.330   2.579  -2.521
  440   3HD1  LEU  54          3HD1      LEU  54   0.412   3.130  -0.825
  441   1HD2  LEU  54          1HD2      LEU  54   1.582   3.773  -4.320
  442   2HD2  LEU  54          2HD2      LEU  54   0.796   5.309  -3.865
  443   3HD2  LEU  54          3HD2      LEU  54   2.575   5.208  -3.948
  444    H    LEU  55           H        LEU  55   3.153   8.346  -1.265
  445    HA   LEU  55           HA       LEU  55   4.201   8.201  -4.047
  446   1HB   LEU  55          1HB       LEU  55   3.838  10.645  -2.200
  447   2HB   LEU  55          2HB       LEU  55   4.188  10.735  -3.924
  448    HG   LEU  55           HG       LEU  55   1.643   9.460  -2.736
  449   1HD1  LEU  55          1HD1      LEU  55   0.542  11.553  -3.542
  450   2HD1  LEU  55          2HD1      LEU  55   2.122  12.202  -4.058
  451   3HD1  LEU  55          3HD1      LEU  55   1.794  11.925  -2.326
  452   1HD2  LEU  55          1HD2      LEU  55   2.202   8.543  -5.005
  453   2HD2  LEU  55          2HD2      LEU  55   0.811   9.649  -5.112
  454   3HD2  LEU  55          3HD2      LEU  55   2.425  10.199  -5.634
  455    H    GLN  56           H        GLN  56   5.478   8.876  -0.862
  456    HA   GLN  56           HA       GLN  56   8.070   9.840  -2.005
  457   1HB   GLN  56          1HB       GLN  56   7.301   9.010   0.859
  458   2HB   GLN  56          2HB       GLN  56   8.873   9.678   0.398
  459   1HG   GLN  56          2HG       GLN  56   7.732  11.754  -0.493
  460   2HG   GLN  56          1HG       GLN  56   6.164  11.114   0.025
  461   1HE2  GLN  56          2HE2      GLN  56   7.338  13.499   0.909
  462   2HE2  GLN  56          1HE2      GLN  56   7.649  13.331   2.709
  463    H    MET  57           H        MET  57   6.636   6.840  -0.969
  464    HA   MET  57           HA       MET  57   9.220   5.441  -0.688
  465   1HB   MET  57          2HB       MET  57   7.079   4.622   0.344
  466   2HB   MET  57          1HB       MET  57   6.405   4.325  -1.259
  467   1HG   MET  57          2HG       MET  57   7.301   2.218  -0.225
  468   2HG   MET  57          1HG       MET  57   8.151   2.598  -1.730
  469   1HE   MET  57          1HE       MET  57   9.771   3.011   2.603
  470   2HE   MET  57          2HE       MET  57   8.203   2.312   2.098
  471   3HE   MET  57          3HE       MET  57   8.454   4.085   2.046
  472    H    LEU  58           H        LEU  58   6.705   5.429  -3.226
  473    HA   LEU  58           HA       LEU  58   8.536   3.929  -5.026
  474   1HB   LEU  58          2HB       LEU  58   5.971   5.502  -5.710
  475   2HB   LEU  58          1HB       LEU  58   6.789   4.387  -6.801
  476    HG   LEU  58           HG       LEU  58   5.533   3.579  -4.102
  477   1HD1  LEU  58          1HD2      LEU  58   4.552   3.225  -7.001
  478   2HD1  LEU  58          2HD2      LEU  58   3.852   4.338  -5.794
  479   3HD1  LEU  58          3HD2      LEU  58   3.757   2.574  -5.543
  480   1HD2  LEU  58          1HD1      LEU  58   5.790   1.245  -5.025
  481   2HD2  LEU  58          2HD1      LEU  58   7.376   2.022  -4.795
  482   3HD2  LEU  58          3HD1      LEU  58   6.672   1.897  -6.431
  483    H    GLU  59           H        GLU  59   7.219   7.232  -4.988
  484    HA   GLU  59           HA       GLU  59   9.230   8.014  -7.089
  485   1HB   GLU  59          2HB       GLU  59   7.201   9.700  -5.500
  486   2HB   GLU  59          1HB       GLU  59   8.225  10.313  -6.804
  487   1HG   GLU  59          1HG       GLU  59   7.205   8.611  -8.389
  488   2HG   GLU  59          2HG       GLU  59   6.118   8.074  -7.097
  489    H    LYS  60           H        LYS  60  11.065   7.427  -5.797
  490    HA   LYS  60           HA       LYS  60  11.599   9.096  -3.358
  491   1HB   LYS  60          2HB       LYS  60  13.440   7.227  -4.967
  492   2HB   LYS  60          1HB       LYS  60  13.885   8.022  -3.450
  493   1HG   LYS  60          2HG       LYS  60  11.880   6.925  -2.325
  494   2HG   LYS  60          1HG       LYS  60  11.573   6.007  -3.803
  495   1HD   LYS  60          2HD       LYS  60  14.217   5.932  -2.215
  496   2HD   LYS  60          1HD       LYS  60  12.907   4.760  -2.038
  497   1HE   LYS  60          1HE       LYS  60  13.109   4.175  -4.503
  498   2HE   LYS  60          2HE       LYS  60  14.502   5.267  -4.631
  499   1HZ   LYS  60          1HZ       LYS  60  15.204   2.996  -4.177
  500   2HZ   LYS  60          2HZ       LYS  60  15.615   3.957  -2.898
  501   3HZ   LYS  60          3HZ       LYS  60  14.321   2.936  -2.781
  502    H    GLN  61           H        GLN  61  11.497  11.173  -4.091
  503    HA   GLN  61           HA       GLN  61  13.150  11.994  -6.438
  504   1HB   GLN  61          2HB       GLN  61  11.739  13.686  -4.281
  505   2HB   GLN  61          1HB       GLN  61  12.551  14.349  -5.705
  506   1HG   GLN  61          2HG       GLN  61  11.020  12.995  -7.204
  507   2HG   GLN  61          1HG       GLN  61  10.163  12.395  -5.773
  508   1HE2  GLN  61          2HE2      GLN  61   8.659  13.625  -7.471
  509   2HE2  GLN  61          1HE2      GLN  61   8.233  15.323  -6.922
  510    H    LYS  62           H        LYS  62  13.208  12.837  -2.967
  511    HA   LYS  62           HA       LYS  62  16.143  12.391  -2.932
  512   1HB   LYS  62          1HB       LYS  62  15.956  14.631  -4.085
  513   2HB   LYS  62          2HB       LYS  62  15.012  15.251  -2.739
  514   1HG   LYS  62          2HG       LYS  62  17.313  16.043  -2.529
  515   2HG   LYS  62          1HG       LYS  62  16.934  14.993  -1.179
  516   1HD   LYS  62          1HD       LYS  62  19.190  14.505  -1.973
  517   2HD   LYS  62          2HD       LYS  62  18.177  13.094  -2.242
  518   1HE   LYS  62          2HE       LYS  62  19.626  13.492  -4.201
  519   2HE   LYS  62          1HE       LYS  62  17.941  13.720  -4.683
  520   1HZ   LYS  62          1HZ       LYS  62  18.258  16.133  -4.397
  521   2HZ   LYS  62          2HZ       LYS  62  19.833  15.910  -3.951
  522   3HZ   LYS  62          3HZ       LYS  62  19.347  15.526  -5.482
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1   0.407   3.222  10.470
    2   2H    ALA   1          2H        ALA   1  -0.733   2.041  10.282
    3   3H    ALA   1          3H        ALA   1   0.697   1.947   9.460
    4    HA   ALA   1           HA       ALA   1  -1.395   4.031   9.058
    5   1HB   ALA   1          1HB       ALA   1   0.947   4.866   8.659
    6   2HB   ALA   1          2HB       ALA   1   0.060   4.727   7.118
    7   3HB   ALA   1          3HB       ALA   1   1.263   3.489   7.571
    8    H    THR   2           H        THR   2  -3.050   3.188   8.101
    9    HA   THR   2           HA       THR   2  -2.517   0.922   6.114
   10    HB   THR   2           HB       THR   2  -4.795   0.054   6.714
   11    HG1  THR   2           HG1      THR   2  -5.739   0.942   8.581
   12   1HG2  THR   2          1HG2      THR   2  -4.185  -0.826   8.980
   13   2HG2  THR   2          2HG2      THR   2  -2.760  -0.839   7.908
   14   3HG2  THR   2          3HG2      THR   2  -2.931   0.429   9.152
   15    H    VAL   3           H        VAL   3  -4.147   0.748   4.440
   16    HA   VAL   3           HA       VAL   3  -5.019   3.563   3.647
   17    HB   VAL   3           HB       VAL   3  -4.699   1.074   1.874
   18   1HG1  VAL   3          1HG1      VAL   3  -5.113   4.059   1.208
   19   2HG1  VAL   3          2HG1      VAL   3  -6.321   2.763   0.985
   20   3HG1  VAL   3          3HG1      VAL   3  -4.825   2.764   0.015
   21   1HG2  VAL   3          1HG2      VAL   3  -2.838   3.503   2.301
   22   2HG2  VAL   3          2HG2      VAL   3  -2.618   2.252   1.049
   23   3HG2  VAL   3          3HG2      VAL   3  -2.482   1.819   2.772
   24    H    LYS   4           H        LYS   4  -7.059   4.005   3.850
   25    HA   LYS   4           HA       LYS   4  -9.015   1.861   4.428
   26   1HB   LYS   4          2HB       LYS   4  -9.096   4.355   5.190
   27   2HB   LYS   4          1HB       LYS   4  -9.710   4.730   3.572
   28   1HG   LYS   4          1HG       LYS   4 -11.594   4.356   5.170
   29   2HG   LYS   4          2HG       LYS   4 -11.601   3.094   3.926
   30   1HD   LYS   4          2HD       LYS   4 -10.336   1.556   5.482
   31   2HD   LYS   4          1HD       LYS   4 -10.316   2.820   6.719
   32   1HE   LYS   4          2HE       LYS   4 -12.161   1.237   7.194
   33   2HE   LYS   4          1HE       LYS   4 -12.847   2.814   6.771
   34   1HZ   LYS   4          1HZ       LYS   4 -12.526   0.523   4.884
   35   2HZ   LYS   4          2HZ       LYS   4 -13.946   1.009   5.573
   36   3HZ   LYS   4          3HZ       LYS   4 -13.174   1.991   4.492
   37    H    PHE   5           H        PHE   5 -10.501   0.952   3.110
   38    HA   PHE   5           HA       PHE   5 -10.693   1.905   0.261
   39   1HB   PHE   5          1HB       PHE   5  -8.590   0.536   0.312
   40   2HB   PHE   5          2HB       PHE   5  -9.474  -0.826   1.011
   41    HD1  PHE   5           HD1      PHE   5 -10.215  -2.414  -0.449
   42    HD2  PHE   5           HD2      PHE   5  -9.767   1.501  -1.878
   43    HE1  PHE   5           HE1      PHE   5 -10.826  -3.155  -2.670
   44    HE2  PHE   5           HE2      PHE   5 -10.378   0.761  -4.100
   45    HZ   PHE   5           HZ       PHE   5 -10.908  -1.568  -4.495
   46    H    LYS   6           H        LYS   6 -12.843   2.072   0.452
   47    HA   LYS   6           HA       LYS   6 -14.425  -0.237   1.541
   48   1HB   LYS   6          1HB       LYS   6 -15.345   2.311   0.057
   49   2HB   LYS   6          2HB       LYS   6 -16.426   1.046   0.634
   50   1HG   LYS   6          2HG       LYS   6 -16.543   2.616   2.353
   51   2HG   LYS   6          1HG       LYS   6 -15.420   1.423   3.010
   52   1HD   LYS   6          1HD       LYS   6 -13.483   2.897   2.396
   53   2HD   LYS   6          2HD       LYS   6 -14.573   4.014   1.557
   54   1HE   LYS   6          2HE       LYS   6 -15.800   4.436   3.733
   55   2HE   LYS   6          1HE       LYS   6 -14.668   3.356   4.571
   56   1HZ   LYS   6          1HZ       LYS   6 -12.844   4.827   3.851
   57   2HZ   LYS   6          2HZ       LYS   6 -13.960   5.670   4.730
   58   3HZ   LYS   6          3HZ       LYS   6 -13.908   5.834   3.087
   59    H    TYR   7           H        TYR   7 -15.216  -1.852   0.407
   60    HA   TYR   7           HA       TYR   7 -14.608  -1.829  -2.564
   61   1HB   TYR   7          2HB       TYR   7 -13.932  -3.821  -1.192
   62   2HB   TYR   7          1HB       TYR   7 -15.617  -4.114  -0.756
   63    HD1  TYR   7           HD1      TYR   7 -16.691  -5.677  -2.045
   64    HD2  TYR   7           HD2      TYR   7 -13.657  -3.419  -3.855
   65    HE1  TYR   7           HE1      TYR   7 -16.984  -6.924  -4.095
   66    HE2  TYR   7           HE2      TYR   7 -13.952  -4.667  -5.904
   67    HH   TYR   7           HH       TYR   7 -15.032  -6.242  -6.928
   68    H    LYS   8           H        LYS   8 -17.271  -3.552  -1.046
   69    HA   LYS   8           HA       LYS   8 -19.141  -1.750  -2.667
   70   1HB   LYS   8          2HB       LYS   8 -19.554  -4.691  -1.850
   71   2HB   LYS   8          1HB       LYS   8 -20.713  -3.718  -2.754
   72   1HG   LYS   8          1HG       LYS   8 -17.869  -4.479  -3.677
   73   2HG   LYS   8          2HG       LYS   8 -19.363  -5.224  -4.238
   74   1HD   LYS   8          2HD       LYS   8 -18.558  -2.274  -4.659
   75   2HD   LYS   8          1HD       LYS   8 -18.497  -3.551  -5.872
   76   1HE   LYS   8          1HE       LYS   8 -21.056  -2.506  -4.505
   77   2HE   LYS   8          2HE       LYS   8 -20.542  -2.174  -6.166
   78   1HZ   LYS   8          1HZ       LYS   8 -22.129  -4.003  -6.084
   79   2HZ   LYS   8          2HZ       LYS   8 -21.156  -4.884  -5.081
   80   3HZ   LYS   8          3HZ       LYS   8 -20.676  -4.568  -6.630
   81    H    GLY   9           H        GLY   9 -19.505  -4.163  -0.092
   82   1HA   GLY   9          1HA       GLY   9 -20.664  -1.913   1.629
   83   2HA   GLY   9          2HA       GLY   9 -21.546  -3.447   1.476
   84    H    GLU  10           H        GLU  10 -18.040  -3.097   1.575
   85    HA   GLU  10           HA       GLU  10 -18.060  -4.114   4.430
   86   1HB   GLU  10          2HB       GLU  10 -16.530  -5.997   3.857
   87   2HB   GLU  10          1HB       GLU  10 -18.089  -6.163   3.039
   88   1HG   GLU  10          2HG       GLU  10 -17.093  -5.174   0.935
   89   2HG   GLU  10          1HG       GLU  10 -15.529  -5.016   1.752
   90    H    GLU  11           H        GLU  11 -16.313  -3.591   5.581
   91    HA   GLU  11           HA       GLU  11 -14.500  -1.568   4.275
   92   1HB   GLU  11          2HB       GLU  11 -13.606  -1.193   6.562
   93   2HB   GLU  11          1HB       GLU  11 -15.371  -1.085   6.551
   94   1HG   GLU  11          2HG       GLU  11 -15.524  -3.470   7.382
   95   2HG   GLU  11          1HG       GLU  11 -13.755  -3.577   7.395
   96    H    LEU  12           H        LEU  12 -12.344  -1.821   3.983
   97    HA   LEU  12           HA       LEU  12 -11.108  -4.441   4.804
   98   1HB   LEU  12          2HB       LEU  12 -12.313  -4.892   2.624
   99   2HB   LEU  12          1HB       LEU  12 -11.406  -3.587   1.856
  100    HG   LEU  12           HG       LEU  12  -9.246  -4.813   2.357
  101   1HD1  LEU  12          1HD2      LEU  12  -9.996  -6.177   4.326
  102   2HD1  LEU  12          2HD2      LEU  12 -11.178  -7.035   3.301
  103   3HD1  LEU  12          3HD2      LEU  12  -9.431  -7.247   3.021
  104   1HD2  LEU  12          1HD1      LEU  12 -10.435  -5.058   0.159
  105   2HD2  LEU  12          2HD1      LEU  12  -9.629  -6.583   0.619
  106   3HD2  LEU  12          3HD1      LEU  12 -11.394  -6.411   0.820
  107    H    GLN  13           H        GLN  13  -9.549  -3.481   5.900
  108    HA   GLN  13           HA       GLN  13  -8.099  -1.164   4.627
  109   1HB   GLN  13          1HB       GLN  13  -7.692  -2.536   7.355
  110   2HB   GLN  13          2HB       GLN  13  -6.865  -1.066   6.820
  111   1HG   GLN  13          2HG       GLN  13  -9.097   0.090   6.547
  112   2HG   GLN  13          1HG       GLN  13  -9.922  -1.371   7.115
  113   1HE2  GLN  13          2HE2      GLN  13 -10.254  -1.584   9.189
  114   2HE2  GLN  13          1HE2      GLN  13  -9.430  -0.609  10.507
  115    H    VAL  14           H        VAL  14  -6.647  -1.658   3.183
  116    HA   VAL  14           HA       VAL  14  -5.029  -4.185   3.527
  117    HB   VAL  14           HB       VAL  14  -4.026  -3.574   1.327
  118   1HG1  VAL  14          1HG1      VAL  14  -7.106  -3.362   1.376
  119   2HG1  VAL  14          2HG1      VAL  14  -6.110  -3.844  -0.022
  120   3HG1  VAL  14          3HG1      VAL  14  -6.171  -4.881   1.429
  121   1HG2  VAL  14          1HG2      VAL  14  -5.882  -1.109   1.479
  122   2HG2  VAL  14          2HG2      VAL  14  -4.100  -1.072   1.558
  123   3HG2  VAL  14          3HG2      VAL  14  -4.917  -1.601   0.066
  124    H    ASP  15           H        ASP  15  -2.608  -3.812   2.949
  125    HA   ASP  15           HA       ASP  15  -1.709  -1.494   4.734
  126   1HB   ASP  15          1HB       ASP  15  -0.454  -4.297   4.468
  127   2HB   ASP  15          2HB       ASP  15   0.158  -2.991   5.499
  128    H    ILE  16           H        ILE  16   0.222  -0.499   4.242
  129    HA   ILE  16           HA       ILE  16   0.622  -0.256   1.345
  130    HB   ILE  16           HB       ILE  16   2.304   0.837   3.681
  131   1HG1  ILE  16          2HG1      ILE  16   1.265   3.032   2.677
  132   2HG1  ILE  16          1HG1      ILE  16   0.062   1.985   1.925
  133   1HG2  ILE  16          1HG2      ILE  16   2.411   1.446   0.661
  134   2HG2  ILE  16          2HG2      ILE  16   3.696   0.663   1.621
  135   3HG2  ILE  16          3HG2      ILE  16   3.272   2.365   1.922
  136   1HD1  ILE  16          1HD1      ILE  16  -0.618   1.136   4.220
  137   2HD1  ILE  16          2HD1      ILE  16   0.674   2.114   4.965
  138   3HD1  ILE  16          3HD1      ILE  16  -0.703   2.913   4.160
  139    H    SER  17           H        SER  17   2.382  -1.845   3.953
  140    HA   SER  17           HA       SER  17   4.616  -2.481   2.078
  141   1HB   SER  17          1HB       SER  17   5.028  -2.010   4.507
  142   2HB   SER  17          2HB       SER  17   4.077  -3.440   4.956
  143    HG   SER  17           HG       SER  17   6.312  -3.853   4.851
  144    H    LYS  18           H        LYS  18   1.623  -3.717   2.365
  145    HA   LYS  18           HA       LYS  18   2.585  -6.582   1.990
  146   1HB   LYS  18          1HB       LYS  18   0.753  -6.187   3.651
  147   2HB   LYS  18          2HB       LYS  18  -0.251  -5.455   2.388
  148   1HG   LYS  18          2HG       LYS  18  -0.107  -7.608   1.054
  149   2HG   LYS  18          1HG       LYS  18   0.816  -8.350   2.364
  150   1HD   LYS  18          2HD       LYS  18  -2.038  -7.199   2.613
  151   2HD   LYS  18          1HD       LYS  18  -1.646  -8.912   2.436
  152   1HE   LYS  18          2HE       LYS  18  -0.802  -7.120   4.801
  153   2HE   LYS  18          1HE       LYS  18  -2.072  -8.353   4.822
  154   1HZ   LYS  18          1HZ       LYS  18   0.814  -8.883   4.278
  155   2HZ   LYS  18          2HZ       LYS  18  -0.373 -10.031   4.300
  156   3HZ   LYS  18          3HZ       LYS  18   0.020  -9.223   5.686
  157    H    ILE  19           H        ILE  19   2.130  -3.927   0.187
  158    HA   ILE  19           HA       ILE  19   0.598  -5.309  -2.013
  159    HB   ILE  19           HB       ILE  19   1.963  -2.556  -1.974
  160   1HG1  ILE  19          1HG1      ILE  19  -0.957  -3.419  -1.486
  161   2HG1  ILE  19          2HG1      ILE  19   0.154  -2.794  -0.266
  162   1HG2  ILE  19          1HG2      ILE  19   1.603  -3.529  -4.278
  163   2HG2  ILE  19          2HG2      ILE  19   0.539  -2.135  -4.003
  164   3HG2  ILE  19          3HG2      ILE  19  -0.118  -3.790  -3.897
  165   1HD1  ILE  19          1HD1      ILE  19  -1.336  -0.965  -1.010
  166   2HD1  ILE  19          2HD1      ILE  19   0.322  -0.598  -1.552
  167   3HD1  ILE  19          3HD1      ILE  19  -0.887  -1.215  -2.712
  168    H    LYS  20           H        LYS  20   1.533  -6.500  -3.455
  169    HA   LYS  20           HA       LYS  20   4.516  -6.024  -3.945
  170   1HB   LYS  20          2HB       LYS  20   4.045  -8.240  -2.873
  171   2HB   LYS  20          1HB       LYS  20   2.906  -8.641  -4.168
  172   1HG   LYS  20          2HG       LYS  20   4.761  -8.425  -5.867
  173   2HG   LYS  20          1HG       LYS  20   5.902  -8.028  -4.572
  174   1HD   LYS  20          2HD       LYS  20   5.435 -10.253  -3.476
  175   2HD   LYS  20          1HD       LYS  20   4.282 -10.647  -4.762
  176   1HE   LYS  20          1HE       LYS  20   6.124 -10.434  -6.480
  177   2HE   LYS  20          2HE       LYS  20   7.281 -10.050  -5.190
  178   1HZ   LYS  20          1HZ       LYS  20   7.313 -12.415  -5.738
  179   2HZ   LYS  20          2HZ       LYS  20   6.786 -12.222  -4.184
  180   3HZ   LYS  20          3HZ       LYS  20   5.708 -12.580  -5.383
  181    H    LYS  21           H        LYS  21   5.241  -6.082  -6.028
  182    HA   LYS  21           HA       LYS  21   5.034  -5.782  -8.402
  183   1HB   LYS  21          2HB       LYS  21   3.884  -8.041  -8.231
  184   2HB   LYS  21          1HB       LYS  21   2.363  -7.206  -7.884
  185   1HG   LYS  21          2HG       LYS  21   2.388  -7.792 -10.261
  186   2HG   LYS  21          1HG       LYS  21   2.386  -6.033  -9.988
  187   1HD   LYS  21          1HD       LYS  21   3.864  -6.581 -11.854
  188   2HD   LYS  21          2HD       LYS  21   4.772  -5.841 -10.534
  189   1HE   LYS  21          1HE       LYS  21   5.989  -7.834 -11.432
  190   2HE   LYS  21          2HE       LYS  21   5.495  -8.116  -9.745
  191   1HZ   LYS  21          1HZ       LYS  21   3.989  -9.060 -12.146
  192   2HZ   LYS  21          2HZ       LYS  21   3.537  -9.322 -10.581
  193   3HZ   LYS  21          3HZ       LYS  21   4.924 -10.005 -11.161
  194    H    VAL  22           H        VAL  22   4.994  -3.603  -8.333
  195    HA   VAL  22           HA       VAL  22   2.185  -2.409  -8.491
  196    HB   VAL  22           HB       VAL  22   3.098  -0.307  -7.506
  197   1HG1  VAL  22          1HG1      VAL  22   2.043  -2.034  -6.015
  198   2HG1  VAL  22          2HG1      VAL  22   3.334  -1.144  -5.166
  199   3HG1  VAL  22          3HG1      VAL  22   3.638  -2.796  -5.762
  200   1HG2  VAL  22          1HG2      VAL  22   5.506  -0.563  -8.175
  201   2HG2  VAL  22          2HG2      VAL  22   5.679  -1.948  -7.063
  202   3HG2  VAL  22          3HG2      VAL  22   5.356  -0.321  -6.417
  203    H    TRP  23           H        TRP  23   1.781  -1.084 -10.121
  204    HA   TRP  23           HA       TRP  23   4.068   0.029 -11.689
  205   1HB   TRP  23          1HB       TRP  23   3.490  -1.020 -13.839
  206   2HB   TRP  23          2HB       TRP  23   3.869  -2.268 -12.647
  207    HD1  TRP  23           HD1      TRP  23   0.934  -0.878 -14.767
  208    HE1  TRP  23           HE1      TRP  23  -1.112  -2.581 -14.681
  209    HE3  TRP  23           HE3      TRP  23   2.742  -3.791 -11.194
  210    HZ2  TRP  23           HZ2      TRP  23  -1.607  -4.835 -13.218
  211    HZ3  TRP  23           HZ3      TRP  23   1.387  -5.687 -10.409
  212    HH2  TRP  23           HH2      TRP  23  -0.653  -6.241 -11.464
  213    H    ARG  24           H        ARG  24   3.578   1.925 -12.357
  214    HA   ARG  24           HA       ARG  24   0.674   2.744 -12.112
  215   1HB   ARG  24          1HB       ARG  24   3.224   4.432 -12.467
  216   2HB   ARG  24          2HB       ARG  24   1.601   5.082 -12.185
  217   1HG   ARG  24          1HG       ARG  24   1.468   3.869  -9.993
  218   2HG   ARG  24          2HG       ARG  24   3.040   3.115 -10.290
  219   1HD   ARG  24          1HD       ARG  24   3.275   5.079  -8.770
  220   2HD   ARG  24          2HD       ARG  24   4.162   5.350 -10.283
  221    HE   ARG  24           HE       ARG  24   1.478   6.468 -10.604
  222   1HH1  ARG  24          2HH2      ARG  24   4.454   6.750  -8.834
  223   2HH1  ARG  24          1HH2      ARG  24   4.269   8.564  -8.641
  224   1HH2  ARG  24          1HH1      ARG  24   1.266   8.614 -10.370
  225   2HH2  ARG  24          2HH1      ARG  24   2.547   9.573  -9.471
  226    H    VAL  25           H        VAL  25  -0.551   3.094 -13.768
  227    HA   VAL  25           HA       VAL  25   0.519   4.259 -16.259
  228    HB   VAL  25           HB       VAL  25   1.281   1.923 -16.564
  229   1HG1  VAL  25          1HG2      VAL  25  -0.482   0.767 -15.178
  230   2HG1  VAL  25          2HG2      VAL  25  -1.707   1.161 -16.414
  231   3HG1  VAL  25          3HG2      VAL  25  -0.361   0.064 -16.811
  232   1HG2  VAL  25          1HG1      VAL  25   0.246   1.528 -18.799
  233   2HG2  VAL  25          2HG1      VAL  25   0.574   3.266 -18.565
  234   3HG2  VAL  25          3HG1      VAL  25  -1.090   2.640 -18.403
  235    H    GLY  26           H        GLY  26  -1.014   5.381 -17.185
  236   1HA   GLY  26          1HA       GLY  26  -3.341   5.803 -17.927
  237   2HA   GLY  26          2HA       GLY  26  -3.888   4.468 -16.892
  238    H    LYS  27           H        LYS  27  -5.431   5.609 -15.829
  239    HA   LYS  27           HA       LYS  27  -4.570   8.152 -14.445
  240   1HB   LYS  27          1HB       LYS  27  -6.798   7.733 -15.763
  241   2HB   LYS  27          2HB       LYS  27  -7.360   6.869 -14.332
  242   1HG   LYS  27          1HG       LYS  27  -6.312   9.779 -14.344
  243   2HG   LYS  27          2HG       LYS  27  -8.014   9.340 -14.480
  244   1HD   LYS  27          2HD       LYS  27  -7.889   8.167 -12.238
  245   2HD   LYS  27          1HD       LYS  27  -6.208   8.705 -12.072
  246   1HE   LYS  27          2HE       LYS  27  -6.949  11.107 -12.285
  247   2HE   LYS  27          1HE       LYS  27  -8.634  10.573 -12.451
  248   1HZ   LYS  27          1HZ       LYS  27  -8.461   9.539 -10.245
  249   2HZ   LYS  27          2HZ       LYS  27  -8.103  11.149 -10.152
  250   3HZ   LYS  27          3HZ       LYS  27  -6.890  10.029 -10.089
  251    H    MET  28           H        MET  28  -6.586   5.377 -13.452
  252    HA   MET  28           HA       MET  28  -5.768   5.781 -10.640
  253   1HB   MET  28          2HB       MET  28  -7.075   3.302 -11.923
  254   2HB   MET  28          1HB       MET  28  -7.003   3.660 -10.192
  255   1HG   MET  28          1HG       MET  28  -8.366   5.759 -10.565
  256   2HG   MET  28          2HG       MET  28  -8.414   5.419 -12.307
  257   1HE   MET  28          1HE       MET  28  -8.705   3.027  -9.072
  258   2HE   MET  28          2HE       MET  28 -10.487   2.936  -8.962
  259   3HE   MET  28          3HE       MET  28  -9.660   4.506  -8.743
  260    H    ILE  29           H        ILE  29  -4.986   3.736  -9.429
  261    HA   ILE  29           HA       ILE  29  -2.537   2.765 -10.986
  262    HB   ILE  29           HB       ILE  29  -2.851   3.274  -7.964
  263   1HG1  ILE  29          2HG1      ILE  29  -1.236   4.760 -10.126
  264   2HG1  ILE  29          1HG1      ILE  29  -2.756   5.335  -9.432
  265   1HG2  ILE  29          1HG2      ILE  29  -0.390   2.765  -7.883
  266   2HG2  ILE  29          2HG2      ILE  29  -0.391   2.426  -9.635
  267   3HG2  ILE  29          3HG2      ILE  29  -1.287   1.367  -8.514
  268   1HD1  ILE  29          1HD1      ILE  29  -0.143   4.862  -7.850
  269   2HD1  ILE  29          2HD1      ILE  29  -0.871   6.433  -8.266
  270   3HD1  ILE  29          3HD1      ILE  29  -1.699   5.347  -7.122
  271    H    SER  30           H        SER  30  -2.293   0.679 -11.203
  272    HA   SER  30           HA       SER  30  -4.311  -1.070  -9.735
  273   1HB   SER  30          2HB       SER  30  -2.558  -1.689 -12.193
  274   2HB   SER  30          1HB       SER  30  -3.767  -2.782 -11.492
  275    HG   SER  30           HG       SER  30  -5.331  -1.155 -11.869
  276    H    PHE  31           H        PHE  31  -3.603  -3.120  -8.942
  277    HA   PHE  31           HA       PHE  31  -0.714  -3.613  -8.593
  278   1HB   PHE  31          2HB       PHE  31  -0.586  -3.222  -6.130
  279   2HB   PHE  31          1HB       PHE  31  -0.881  -1.726  -7.018
  280    HD1  PHE  31           HD1      PHE  31  -3.008  -0.617  -6.865
  281    HD2  PHE  31           HD2      PHE  31  -2.363  -4.199  -4.783
  282    HE1  PHE  31           HE1      PHE  31  -4.970  -0.192  -5.525
  283    HE2  PHE  31           HE2      PHE  31  -4.324  -3.772  -3.443
  284    HZ   PHE  31           HZ       PHE  31  -5.638  -1.769  -3.810
  285    H    THR  32           H        THR  32  -0.346  -5.338  -6.919
  286    HA   THR  32           HA       THR  32  -2.793  -7.178  -6.923
  287    HB   THR  32           HB       THR  32  -1.245  -9.098  -7.282
  288    HG1  THR  32           HG1      THR  32   0.892  -8.595  -7.848
  289   1HG2  THR  32          1HG2      THR  32  -0.656  -8.606  -9.665
  290   2HG2  THR  32          2HG2      THR  32  -2.274  -7.955  -9.285
  291   3HG2  THR  32          3HG2      THR  32  -0.870  -6.859  -9.379
  292    H    TYR  33           H        TYR  33  -3.256  -6.555  -4.824
  293    HA   TYR  33           HA       TYR  33  -1.227  -6.849  -2.683
  294   1HB   TYR  33          1HB       TYR  33  -3.091  -6.652  -1.095
  295   2HB   TYR  33          2HB       TYR  33  -3.288  -5.444  -2.366
  296    HD1  TYR  33           HD1      TYR  33  -4.988  -5.826  -4.128
  297    HD2  TYR  33           HD2      TYR  33  -4.628  -8.441  -0.870
  298    HE1  TYR  33           HE1      TYR  33  -7.186  -6.711  -4.594
  299    HE2  TYR  33           HE2      TYR  33  -6.825  -9.328  -1.338
  300    HH   TYR  33           HH       TYR  33  -8.736  -8.115  -4.022
  301    H    ASP  34           H        ASP  34  -0.647  -8.606  -1.608
  302    HA   ASP  34           HA       ASP  34  -1.534 -11.159  -2.857
  303   1HB   ASP  34          2HB       ASP  34   0.393 -10.690  -0.494
  304   2HB   ASP  34          1HB       ASP  34   0.196 -12.216  -1.373
  305    H    GLU  35           H        GLU  35  -3.126 -12.318  -2.256
  306    HA   GLU  35           HA       GLU  35  -3.627 -12.862   0.610
  307   1HB   GLU  35          1HB       GLU  35  -4.711 -10.586   0.301
  308   2HB   GLU  35          2HB       GLU  35  -5.759 -11.270  -0.950
  309   1HG   GLU  35          1HG       GLU  35  -6.687 -12.917   0.731
  310   2HG   GLU  35          2HG       GLU  35  -5.609 -12.255   1.973
  311    HE2  GLU  35           HE2      GLU  35  -6.471 -11.012   3.173
  312    H    GLY  36           H        GLY  36  -2.995 -14.746  -0.805
  313   1HA   GLY  36          2HA       GLY  36  -5.373 -16.426  -1.205
  314   2HA   GLY  36          1HA       GLY  36  -4.843 -15.802  -2.780
  315    H    GLY  37           H        GLY  37  -2.185 -15.802  -2.684
  316   1HA   GLY  37          1HA       GLY  37  -0.239 -17.344  -2.273
  317   2HA   GLY  37          2HA       GLY  37  -1.388 -18.621  -1.825
  318    H    GLY  38           H        GLY  38  -3.180 -18.651  -3.788
  319   1HA   GLY  38          1HA       GLY  38  -1.542 -18.903  -6.361
  320   2HA   GLY  38          2HA       GLY  38  -2.617 -20.232  -5.870
  321    H    LYS  39           H        LYS  39  -3.080 -16.741  -5.535
  322    HA   LYS  39           HA       LYS  39  -4.734 -16.213  -7.776
  323   1HB   LYS  39          2HB       LYS  39  -7.066 -16.657  -6.904
  324   2HB   LYS  39          1HB       LYS  39  -6.133 -18.126  -7.216
  325   1HG   LYS  39          2HG       LYS  39  -5.494 -18.229  -4.764
  326   2HG   LYS  39          1HG       LYS  39  -6.528 -16.834  -4.445
  327   1HD   LYS  39          2HD       LYS  39  -7.462 -19.516  -5.653
  328   2HD   LYS  39          1HD       LYS  39  -7.653 -19.041  -3.962
  329   1HE   LYS  39          2HE       LYS  39  -8.921 -17.597  -6.378
  330   2HE   LYS  39          1HE       LYS  39  -9.759 -18.650  -5.227
  331   1HZ   LYS  39          1HZ       LYS  39 -10.007 -16.311  -4.634
  332   2HZ   LYS  39          2HZ       LYS  39  -9.163 -17.091  -3.446
  333   3HZ   LYS  39          3HZ       LYS  39  -8.372 -16.108  -4.513
  334    H    THR  40           H        THR  40  -3.241 -14.585  -6.719
  335    HA   THR  40           HA       THR  40  -4.209 -13.092  -4.388
  336    HB   THR  40           HB       THR  40  -2.806 -11.196  -5.244
  337    HG1  THR  40           HG1      THR  40  -3.184 -11.475  -7.415
  338   1HG2  THR  40          1HG2      THR  40  -0.614 -12.391  -5.203
  339   2HG2  THR  40          2HG2      THR  40  -1.431 -13.949  -5.500
  340   3HG2  THR  40          3HG2      THR  40  -1.710 -13.069  -3.972
  341    H    GLY  41           H        GLY  41  -4.951 -10.822  -4.533
  342   1HA   GLY  41          1HA       GLY  41  -7.239 -10.775  -6.555
  343   2HA   GLY  41          2HA       GLY  41  -7.265  -9.924  -5.000
  344    H    ARG  42           H        ARG  42  -7.410  -9.213  -7.995
  345    HA   ARG  42           HA       ARG  42  -5.195  -7.124  -8.000
  346   1HB   ARG  42          1HB       ARG  42  -7.246  -7.855 -10.183
  347   2HB   ARG  42          2HB       ARG  42  -5.932  -6.683 -10.362
  348   1HG   ARG  42          1HG       ARG  42  -4.244  -8.509  -9.906
  349   2HG   ARG  42          2HG       ARG  42  -5.557  -9.675  -9.701
  350   1HD   ARG  42          2HD       ARG  42  -4.654  -9.849 -11.995
  351   2HD   ARG  42          1HD       ARG  42  -6.320  -9.241 -12.069
  352    HE   ARG  42           HE       ARG  42  -4.536  -6.930 -11.972
  353   1HH1  ARG  42          1HH2      ARG  42  -5.441  -9.695 -13.866
  354   2HH1  ARG  42          2HH2      ARG  42  -5.048  -8.852 -15.446
  355   1HH2  ARG  42          2HH1      ARG  42  -4.073  -5.937 -13.844
  356   2HH2  ARG  42          1HH1      ARG  42  -4.308  -6.820 -15.434
  357    H    GLY  43           H        GLY  43  -5.600  -5.018  -7.831
  358   1HA   GLY  43          1HA       GLY  43  -8.503  -4.123  -7.787
  359   2HA   GLY  43          2HA       GLY  43  -7.579  -3.896  -6.287
  360    H    ALA  44           H        ALA  44  -8.271  -1.632  -6.887
  361    HA   ALA  44           HA       ALA  44  -5.871  -0.298  -8.032
  362   1HB   ALA  44          1HB       ALA  44  -8.561  -0.074  -9.543
  363   2HB   ALA  44          2HB       ALA  44  -7.086   0.861  -9.913
  364   3HB   ALA  44          3HB       ALA  44  -7.102  -0.908 -10.144
  365    H    VAL  45           H        VAL  45  -6.007   2.018  -7.908
  366    HA   VAL  45           HA       VAL  45  -8.351   3.146  -6.447
  367    HB   VAL  45           HB       VAL  45  -7.082   2.044  -4.612
  368   1HG1  VAL  45          1HG1      VAL  45  -4.780   3.946  -5.400
  369   2HG1  VAL  45          2HG1      VAL  45  -4.812   2.871  -3.980
  370   3HG1  VAL  45          3HG1      VAL  45  -4.777   2.176  -5.621
  371   1HG2  VAL  45          1HG2      VAL  45  -8.344   4.166  -4.159
  372   2HG2  VAL  45          2HG2      VAL  45  -6.896   4.043  -3.126
  373   3HG2  VAL  45          3HG2      VAL  45  -6.889   5.123  -4.544
  374    H    SER  46           H        SER  46  -8.547   5.241  -6.830
  375    HA   SER  46           HA       SER  46  -6.794   6.387  -8.891
  376   1HB   SER  46          1HB       SER  46  -8.792   7.828  -7.034
  377   2HB   SER  46          2HB       SER  46  -8.110   8.493  -8.532
  378    HG   SER  46           HG       SER  46 -10.151   7.531  -8.827
  379    H    GLU  47           H        GLU  47  -5.384   8.117  -8.744
  380    HA   GLU  47           HA       GLU  47  -4.032   8.231  -6.028
  381   1HB   GLU  47          1HB       GLU  47  -2.755   7.678  -8.186
  382   2HB   GLU  47          2HB       GLU  47  -3.028   9.344  -8.715
  383   1HG   GLU  47          2HG       GLU  47  -1.860  10.175  -6.613
  384   2HG   GLU  47          1HG       GLU  47  -1.601   8.499  -6.108
  385    H    LYS  48           H        LYS  48  -6.473   9.525  -6.245
  386    HA   LYS  48           HA       LYS  48  -5.879  12.415  -6.748
  387   1HB   LYS  48          1HB       LYS  48  -8.155  11.449  -7.205
  388   2HB   LYS  48          2HB       LYS  48  -8.321  11.007  -5.507
  389   1HG   LYS  48          2HG       LYS  48  -9.553  13.091  -5.927
  390   2HG   LYS  48          1HG       LYS  48  -8.226  13.398  -4.813
  391   1HD   LYS  48          2HD       LYS  48  -8.354  15.208  -6.473
  392   2HD   LYS  48          1HD       LYS  48  -6.834  14.339  -6.678
  393   1HE   LYS  48          2HE       LYS  48  -7.892  14.796  -8.884
  394   2HE   LYS  48          1HE       LYS  48  -7.812  13.049  -8.610
  395   1HZ   LYS  48          1HZ       LYS  48 -10.139  13.131  -7.848
  396   2HZ   LYS  48          2HZ       LYS  48 -10.007  13.722  -9.385
  397   3HZ   LYS  48          3HZ       LYS  48 -10.207  14.760  -8.115
  398    H    ASP  49           H        ASP  49  -5.814  10.144  -4.157
  399    HA   ASP  49           HA       ASP  49  -4.588  12.236  -2.423
  400   1HB   ASP  49          2HB       ASP  49  -7.076  12.609  -2.114
  401   2HB   ASP  49          1HB       ASP  49  -7.251  10.932  -1.574
  402    H    ALA  50           H        ALA  50  -3.311  10.200  -3.330
  403    HA   ALA  50           HA       ALA  50  -3.695   7.834  -1.537
  404   1HB   ALA  50          1HB       ALA  50  -1.507   8.440  -3.640
  405   2HB   ALA  50          2HB       ALA  50  -2.999   7.509  -3.934
  406   3HB   ALA  50          3HB       ALA  50  -1.749   6.865  -2.836
  407    HA   PRO  51           HA       PRO  51  -0.964   9.097   1.716
  408   1HB   PRO  51          2HB       PRO  51   0.420   6.418   1.206
  409   2HB   PRO  51          1HB       PRO  51  -0.102   7.094   2.773
  410   1HG   PRO  51          2HG       PRO  51  -1.625   5.183   1.615
  411   2HG   PRO  51          1HG       PRO  51  -2.434   6.628   2.281
  412   1HD   PRO  51          2HD       PRO  51  -1.807   6.027  -0.653
  413   2HD   PRO  51          1HD       PRO  51  -3.282   6.758   0.070
  414    H    LYS  52           H        LYS  52   1.202   9.740   2.135
  415    HA   LYS  52           HA       LYS  52   2.570  10.471  -0.400
  416   1HB   LYS  52          2HB       LYS  52   3.462  10.913   2.515
  417   2HB   LYS  52          1HB       LYS  52   4.192  11.672   1.093
  418   1HG   LYS  52          1HG       LYS  52   1.918  12.674   0.510
  419   2HG   LYS  52          2HG       LYS  52   1.271  12.034   2.024
  420   1HD   LYS  52          1HD       LYS  52   3.656  13.979   1.777
  421   2HD   LYS  52          2HD       LYS  52   2.002  14.449   2.183
  422   1HE   LYS  52          1HE       LYS  52   3.781  12.566   3.863
  423   2HE   LYS  52          2HE       LYS  52   3.407  14.256   4.235
  424   1HZ   LYS  52          1HZ       LYS  52   1.387  12.074   4.013
  425   2HZ   LYS  52          2HZ       LYS  52   1.044  13.652   4.360
  426   3HZ   LYS  52          3HZ       LYS  52   1.930  12.746   5.421
  427    H    GLU  53           H        GLU  53   2.836   7.953   1.903
  428    HA   GLU  53           HA       GLU  53   5.658   7.350   1.548
  429   1HB   GLU  53          1HB       GLU  53   3.332   5.393   2.046
  430   2HB   GLU  53          2HB       GLU  53   5.044   5.020   2.282
  431   1HG   GLU  53          1HG       GLU  53   3.475   7.216   3.780
  432   2HG   GLU  53          2HG       GLU  53   3.920   5.635   4.437
  433    H    LEU  54           H        LEU  54   2.800   6.566  -0.359
  434    HA   LEU  54           HA       LEU  54   4.304   4.663  -2.080
  435   1HB   LEU  54          1HB       LEU  54   1.698   6.218  -2.624
  436   2HB   LEU  54          2HB       LEU  54   2.326   4.933  -3.659
  437    HG   LEU  54           HG       LEU  54   1.609   4.546  -0.688
  438   1HD1  LEU  54          1HD2      LEU  54  -0.430   3.403  -1.591
  439   2HD1  LEU  54          2HD2      LEU  54   0.055   3.823  -3.256
  440   3HD1  LEU  54          3HD2      LEU  54  -0.390   5.111  -2.105
  441   1HD2  LEU  54          1HD1      LEU  54   2.263   2.557  -2.962
  442   2HD2  LEU  54          2HD1      LEU  54   3.286   2.883  -1.535
  443   3HD2  LEU  54          3HD1      LEU  54   1.696   2.102  -1.334
  444    H    LEU  55           H        LEU  55   3.602   8.110  -2.071
  445    HA   LEU  55           HA       LEU  55   4.585   8.410  -4.863
  446   1HB   LEU  55          2HB       LEU  55   4.240  10.547  -2.673
  447   2HB   LEU  55          1HB       LEU  55   4.500  10.878  -4.388
  448    HG   LEU  55           HG       LEU  55   2.103   9.313  -3.253
  449   1HD1  LEU  55          1HD1      LEU  55   0.820  11.401  -3.786
  450   2HD1  LEU  55          2HD1      LEU  55   2.104  11.732  -2.589
  451   3HD1  LEU  55          3HD1      LEU  55   2.329  12.209  -4.295
  452   1HD2  LEU  55          1HD2      LEU  55   2.623   8.677  -5.623
  453   2HD2  LEU  55          2HD2      LEU  55   1.151   9.678  -5.567
  454   3HD2  LEU  55          3HD2      LEU  55   2.697  10.399  -6.086
  455    H    GLN  56           H        GLN  56   5.942   8.615  -1.620
  456    HA   GLN  56           HA       GLN  56   8.464   9.783  -2.706
  457   1HB   GLN  56          2HB       GLN  56   7.629  10.236  -0.379
  458   2HB   GLN  56          1HB       GLN  56   7.854   8.531   0.036
  459   1HG   GLN  56          1HG       GLN  56  10.319   8.730  -0.439
  460   2HG   GLN  56          2HG       GLN  56  10.098  10.422  -0.924
  461   1HE2  GLN  56          2HE2      GLN  56  11.490   8.947   1.336
  462   2HE2  GLN  56          1HE2      GLN  56  10.956   9.865   2.833
  463    H    MET  57           H        MET  57   7.094   6.668  -2.345
  464    HA   MET  57           HA       MET  57   9.735   5.277  -2.204
  465   1HB   MET  57          2HB       MET  57   7.628   4.219  -1.328
  466   2HB   MET  57          1HB       MET  57   6.938   4.210  -2.957
  467   1HG   MET  57          1HG       MET  57   7.926   1.978  -2.404
  468   2HG   MET  57          2HG       MET  57   8.807   2.712  -3.758
  469   1HE   MET  57          1HE       MET  57   9.920   0.331  -2.009
  470   2HE   MET  57          2HE       MET  57  11.620   0.835  -1.757
  471   3HE   MET  57          3HE       MET  57  10.840   1.079  -3.351
  472    H    LEU  58           H        LEU  58   7.469   6.359  -4.645
  473    HA   LEU  58           HA       LEU  58   9.395   5.165  -6.701
  474   1HB   LEU  58          2HB       LEU  58   6.476   6.106  -7.082
  475   2HB   LEU  58          1HB       LEU  58   7.501   5.446  -8.352
  476    HG   LEU  58           HG       LEU  58   6.699   3.965  -5.778
  477   1HD1  LEU  58          1HD1      LEU  58   4.792   4.314  -7.362
  478   2HD1  LEU  58          2HD1      LEU  58   5.279   2.596  -7.321
  479   3HD1  LEU  58          3HD1      LEU  58   5.761   3.629  -8.697
  480   1HD2  LEU  58          1HD2      LEU  58   8.915   3.183  -6.650
  481   2HD2  LEU  58          2HD2      LEU  58   8.230   3.018  -8.290
  482   3HD2  LEU  58          3HD2      LEU  58   7.665   1.957  -6.969
  483    H    GLU  59           H        GLU  59   9.616   7.653  -5.095
  484    HA   GLU  59           HA       GLU  59  10.382   9.427  -7.328
  485   1HB   GLU  59          2HB       GLU  59   8.094  10.415  -5.497
  486   2HB   GLU  59          1HB       GLU  59   8.937  11.396  -6.696
  487   1HG   GLU  59          2HG       GLU  59   8.110   9.821  -8.530
  488   2HG   GLU  59          1HG       GLU  59   7.210   8.907  -7.296
  489    H    LYS  60           H        LYS  60  11.585   8.166  -5.115
  490    HA   LYS  60           HA       LYS  60  11.919  10.077  -2.924
  491   1HB   LYS  60          1HB       LYS  60  13.869   8.754  -2.220
  492   2HB   LYS  60          2HB       LYS  60  12.552   7.696  -2.712
  493   1HG   LYS  60          1HG       LYS  60  14.263   6.625  -3.803
  494   2HG   LYS  60          2HG       LYS  60  13.808   7.733  -5.100
  495   1HD   LYS  60          2HD       LYS  60  15.656   9.319  -4.313
  496   2HD   LYS  60          1HD       LYS  60  16.037   8.190  -3.007
  497   1HE   LYS  60          1HE       LYS  60  17.592   7.829  -4.900
  498   2HE   LYS  60          2HE       LYS  60  16.566   6.395  -4.698
  499   1HZ   LYS  60          1HZ       LYS  60  15.127   7.254  -6.481
  500   2HZ   LYS  60          2HZ       LYS  60  16.086   8.587  -6.668
  501   3HZ   LYS  60          3HZ       LYS  60  16.680   7.087  -7.022
  502    H    GLN  61           H        GLN  61  13.094  11.807  -2.693
  503    HA   GLN  61           HA       GLN  61  15.412  12.424  -4.373
  504   1HB   GLN  61          1HB       GLN  61  14.464  14.247  -5.773
  505   2HB   GLN  61          2HB       GLN  61  13.706  12.699  -6.161
  506   1HG   GLN  61          2HG       GLN  61  11.737  13.301  -4.676
  507   2HG   GLN  61          1HG       GLN  61  12.494  14.864  -4.322
  508   1HE2  GLN  61          2HE2      GLN  61  10.168  13.566  -6.033
  509   2HE2  GLN  61          1HE2      GLN  61  10.203  14.623  -7.533
  510    H    LYS  62           H        LYS  62  15.920  14.841  -4.232
  511    HA   LYS  62           HA       LYS  62  14.952  15.821  -1.502
  512   1HB   LYS  62          1HB       LYS  62  17.810  16.015  -2.637
  513   2HB   LYS  62          2HB       LYS  62  17.283  16.682  -1.089
  514   1HG   LYS  62          2HG       LYS  62  17.227  13.686  -1.830
  515   2HG   LYS  62          1HG       LYS  62  18.482  14.479  -0.872
  516   1HD   LYS  62          1HD       LYS  62  16.742  15.165   0.836
  517   2HD   LYS  62          2HD       LYS  62  15.497  14.332  -0.107
  518   1HE   LYS  62          2HE       LYS  62  16.276  12.845   1.703
  519   2HE   LYS  62          1HE       LYS  62  16.748  12.157   0.138
  520   1HZ   LYS  62          1HZ       LYS  62  18.594  12.136   1.712
  521   2HZ   LYS  62          2HZ       LYS  62  18.968  13.133   0.451
  522   3HZ   LYS  62          3HZ       LYS  62  18.526  13.776   1.907
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1   3.776   0.455   8.972
    2   2H    ALA   1          2H        ALA   1   2.165   0.821   8.974
    3   3H    ALA   1          3H        ALA   1   2.670  -0.686   9.427
    4    HA   ALA   1           HA       ALA   1   2.926   0.479   6.695
    5   1HB   ALA   1          1HB       ALA   1   3.722  -1.832   6.078
    6   2HB   ALA   1          2HB       ALA   1   3.607  -2.334   7.785
    7   3HB   ALA   1          3HB       ALA   1   4.797  -1.098   7.298
    8    H    THR   2           H        THR   2   0.679   0.976   6.926
    9    HA   THR   2           HA       THR   2  -0.945  -1.311   5.961
   10    HB   THR   2           HB       THR   2  -1.029  -1.792   8.378
   11    HG1  THR   2           HG1      THR   2  -2.886  -2.052   7.101
   12   1HG2  THR   2          1HG2      THR   2  -0.580   0.531   9.253
   13   2HG2  THR   2          2HG2      THR   2  -2.177   1.066   8.663
   14   3HG2  THR   2          3HG2      THR   2  -2.067  -0.145   9.965
   15    H    VAL   3           H        VAL   3  -3.110  -0.703   5.431
   16    HA   VAL   3           HA       VAL   3  -3.800   2.178   5.564
   17    HB   VAL   3           HB       VAL   3  -2.151   2.234   3.725
   18   1HG1  VAL   3          1HG2      VAL   3  -4.009   0.232   2.286
   19   2HG1  VAL   3          2HG2      VAL   3  -2.373  -0.127   2.906
   20   3HG1  VAL   3          3HG2      VAL   3  -2.589   1.037   1.576
   21   1HG2  VAL   3          1HG1      VAL   3  -4.133   3.770   3.631
   22   2HG2  VAL   3          2HG1      VAL   3  -3.601   3.299   1.994
   23   3HG2  VAL   3          3HG1      VAL   3  -5.049   2.545   2.710
   24    H    LYS   4           H        LYS   4  -5.903   2.380   5.575
   25    HA   LYS   4           HA       LYS   4  -7.463  -0.162   5.067
   26   1HB   LYS   4          2HB       LYS   4  -8.313   2.535   6.286
   27   2HB   LYS   4          1HB       LYS   4  -9.368   1.121   6.129
   28   1HG   LYS   4          2HG       LYS   4  -7.799  -0.237   7.547
   29   2HG   LYS   4          1HG       LYS   4  -6.680   1.126   7.638
   30   1HD   LYS   4          2HD       LYS   4  -7.979   1.091   9.700
   31   2HD   LYS   4          1HD       LYS   4  -8.451   2.520   8.776
   32   1HE   LYS   4          1HE       LYS   4 -10.460   1.379   9.701
   33   2HE   LYS   4          2HE       LYS   4 -10.502   1.312   7.932
   34   1HZ   LYS   4          1HZ       LYS   4  -9.536  -0.880   9.712
   35   2HZ   LYS   4          2HZ       LYS   4  -9.568  -0.948   8.062
   36   3HZ   LYS   4          3HZ       LYS   4 -10.981  -0.852   8.913
   37    H    PHE   5           H        PHE   5  -7.855  -0.426   3.009
   38    HA   PHE   5           HA       PHE   5  -8.605   1.939   1.298
   39   1HB   PHE   5          2HB       PHE   5  -7.233   0.104   0.313
   40   2HB   PHE   5          1HB       PHE   5  -8.479  -1.087   0.714
   41    HD1  PHE   5           HD1      PHE   5  -9.745  -1.712  -1.057
   42    HD2  PHE   5           HD2      PHE   5  -8.391   2.253  -0.939
   43    HE1  PHE   5           HE1      PHE   5 -10.846  -1.275  -3.166
   44    HE2  PHE   5           HE2      PHE   5  -9.493   2.691  -3.049
   45    HZ   PHE   5           HZ       PHE   5 -10.723   0.929  -4.162
   46    H    LYS   6           H        LYS   6 -10.415   2.584   2.479
   47    HA   LYS   6           HA       LYS   6 -12.622   0.725   3.030
   48   1HB   LYS   6          1HB       LYS   6 -12.661   3.795   2.751
   49   2HB   LYS   6          2HB       LYS   6 -13.982   2.825   3.415
   50   1HG   LYS   6          2HG       LYS   6 -12.455   1.960   5.220
   51   2HG   LYS   6          1HG       LYS   6 -11.122   2.928   4.567
   52   1HD   LYS   6          1HD       LYS   6 -12.446   5.030   4.919
   53   2HD   LYS   6          2HD       LYS   6 -13.816   4.088   5.523
   54   1HE   LYS   6          1HE       LYS   6 -11.008   4.130   6.807
   55   2HE   LYS   6          2HE       LYS   6 -12.407   5.055   7.385
   56   1HZ   LYS   6          1HZ       LYS   6 -13.596   2.949   7.717
   57   2HZ   LYS   6          2HZ       LYS   6 -12.185   2.954   8.577
   58   3HZ   LYS   6          3HZ       LYS   6 -12.298   2.081   7.178
   59    H    TYR   7           H        TYR   7 -14.454   0.319   1.993
   60    HA   TYR   7           HA       TYR   7 -14.939   1.760  -0.623
   61   1HB   TYR   7          1HB       TYR   7 -13.636  -0.365  -1.123
   62   2HB   TYR   7          2HB       TYR   7 -14.900  -1.314  -0.335
   63    HD1  TYR   7           HD1      TYR   7 -14.771   1.460  -2.833
   64    HD2  TYR   7           HD2      TYR   7 -16.352  -2.287  -1.804
   65    HE1  TYR   7           HE1      TYR   7 -16.006   1.409  -4.909
   66    HE2  TYR   7           HE2      TYR   7 -17.586  -2.334  -3.882
   67    HH   TYR   7           HH       TYR   7 -17.378   0.310  -6.177
   68    H    LYS   8           H        LYS   8 -17.156   1.730  -1.198
   69    HA   LYS   8           HA       LYS   8 -18.856   1.755   1.176
   70   1HB   LYS   8          1HB       LYS   8 -20.734   2.199  -0.410
   71   2HB   LYS   8          2HB       LYS   8 -19.322   3.198  -0.789
   72   1HG   LYS   8          2HG       LYS   8 -18.622   1.539  -2.556
   73   2HG   LYS   8          1HG       LYS   8 -20.038   0.541  -2.182
   74   1HD   LYS   8          2HD       LYS   8 -21.553   2.483  -2.742
   75   2HD   LYS   8          1HD       LYS   8 -20.141   3.475  -3.134
   76   1HE   LYS   8          1HE       LYS   8 -20.906   0.834  -4.540
   77   2HE   LYS   8          2HE       LYS   8 -21.180   2.461  -5.192
   78   1HZ   LYS   8          1HZ       LYS   8 -18.767   2.832  -5.124
   79   2HZ   LYS   8          2HZ       LYS   8 -19.121   1.504  -6.040
   80   3HZ   LYS   8          3HZ       LYS   8 -18.509   1.318  -4.518
   81    H    GLY   9           H        GLY   9 -18.096  -0.681  -1.178
   82   1HA   GLY   9          2HA       GLY   9 -20.446  -2.373  -0.469
   83   2HA   GLY   9          1HA       GLY   9 -19.061  -2.905  -1.440
   84    H    GLU  10           H        GLU  10 -17.005  -2.198   0.431
   85    HA   GLU  10           HA       GLU  10 -17.605  -3.567   2.987
   86   1HB   GLU  10          2HB       GLU  10 -17.682  -5.507   1.375
   87   2HB   GLU  10          1HB       GLU  10 -16.052  -5.113   0.815
   88   1HG   GLU  10          1HG       GLU  10 -15.967  -6.950   2.478
   89   2HG   GLU  10          2HG       GLU  10 -15.137  -5.525   3.120
   90    H    GLU  11           H        GLU  11 -16.110  -3.076   4.429
   91    HA   GLU  11           HA       GLU  11 -13.852  -1.352   3.575
   92   1HB   GLU  11          1HB       GLU  11 -13.191  -1.368   5.970
   93   2HB   GLU  11          2HB       GLU  11 -14.919  -1.034   5.794
   94   1HG   GLU  11          1HG       GLU  11 -15.441  -3.460   6.285
   95   2HG   GLU  11          2HG       GLU  11 -13.710  -3.797   6.457
   96    H    LEU  12           H        LEU  12 -11.706  -1.820   3.524
   97    HA   LEU  12           HA       LEU  12 -10.999  -4.766   3.851
   98   1HB   LEU  12          2HB       LEU  12 -10.228  -2.979   1.459
   99   2HB   LEU  12          1HB       LEU  12  -9.571  -4.592   1.749
  100    HG   LEU  12           HG       LEU  12 -12.562  -3.991   1.339
  101   1HD1  LEU  12          1HD2      LEU  12 -12.191  -5.001  -0.923
  102   2HD1  LEU  12          2HD2      LEU  12 -10.447  -5.159  -0.580
  103   3HD1  LEU  12          3HD2      LEU  12 -11.188  -3.541  -0.712
  104   1HD2  LEU  12          1HD1      LEU  12 -12.149  -6.083   2.668
  105   2HD2  LEU  12          2HD1      LEU  12 -12.707  -6.489   1.025
  106   3HD2  LEU  12          3HD1      LEU  12 -10.980  -6.642   1.441
  107    H    GLN  13           H        GLN  13  -8.607  -5.048   3.755
  108    HA   GLN  13           HA       GLN  13  -7.135  -2.573   4.673
  109   1HB   GLN  13          2HB       GLN  13  -8.156  -3.639   6.713
  110   2HB   GLN  13          1HB       GLN  13  -7.302  -5.145   6.374
  111   1HG   GLN  13          2HG       GLN  13  -5.860  -2.443   6.773
  112   2HG   GLN  13          1HG       GLN  13  -6.226  -3.545   8.106
  113   1HE2  GLN  13          2HE2      GLN  13  -3.889  -2.636   6.069
  114   2HE2  GLN  13          1HE2      GLN  13  -2.893  -4.177   6.034
  115    H    VAL  14           H        VAL  14  -5.791  -2.611   3.022
  116    HA   VAL  14           HA       VAL  14  -4.331  -5.228   2.486
  117    HB   VAL  14           HB       VAL  14  -3.527  -4.119   0.397
  118   1HG1  VAL  14          1HG1      VAL  14  -6.584  -3.984   0.799
  119   2HG1  VAL  14          2HG1      VAL  14  -5.739  -4.119  -0.764
  120   3HG1  VAL  14          3HG1      VAL  14  -5.654  -5.457   0.412
  121   1HG2  VAL  14          1HG2      VAL  14  -3.566  -1.732   1.167
  122   2HG2  VAL  14          2HG2      VAL  14  -5.348  -1.784   1.276
  123   3HG2  VAL  14          3HG2      VAL  14  -4.544  -1.941  -0.306
  124    H    ASP  15           H        ASP  15  -2.286  -5.468   2.986
  125    HA   ASP  15           HA       ASP  15  -1.069  -3.239   4.599
  126   1HB   ASP  15          1HB       ASP  15  -0.017  -6.071   3.980
  127   2HB   ASP  15          2HB       ASP  15   0.693  -4.946   5.152
  128    H    ILE  16           H        ILE  16   0.913  -2.303   4.167
  129    HA   ILE  16           HA       ILE  16   1.414  -2.003   1.247
  130    HB   ILE  16           HB       ILE  16   3.018  -0.941   3.644
  131   1HG1  ILE  16          1HG1      ILE  16   0.665  -0.195   3.792
  132   2HG1  ILE  16          2HG1      ILE  16   1.751   1.142   3.430
  133   1HG2  ILE  16          1HG2      ILE  16   2.942  -0.062   0.690
  134   2HG2  ILE  16          2HG2      ILE  16   4.314  -0.809   1.548
  135   3HG2  ILE  16          3HG2      ILE  16   3.770   0.825   1.997
  136   1HD1  ILE  16          1HD1      ILE  16  -0.315   1.283   2.038
  137   2HD1  ILE  16          2HD1      ILE  16   0.004  -0.322   1.337
  138   3HD1  ILE  16          3HD1      ILE  16   1.098   1.047   0.987
  139    H    SER  17           H        SER  17   2.720  -3.839   3.871
  140    HA   SER  17           HA       SER  17   5.279  -4.304   2.381
  141   1HB   SER  17          2HB       SER  17   4.229  -5.578   4.984
  142   2HB   SER  17          1HB       SER  17   5.883  -5.726   4.358
  143    HG   SER  17           HG       SER  17   6.028  -3.440   4.452
  144    H    LYS  18           H        LYS  18   2.275  -5.440   1.956
  145    HA   LYS  18           HA       LYS  18   3.335  -8.228   1.262
  146   1HB   LYS  18          2HB       LYS  18   0.433  -7.327   1.766
  147   2HB   LYS  18          1HB       LYS  18   0.922  -8.959   1.285
  148   1HG   LYS  18          2HG       LYS  18   2.342  -9.148   3.367
  149   2HG   LYS  18          1HG       LYS  18   1.835  -7.523   3.857
  150   1HD   LYS  18          2HD       LYS  18  -0.577  -8.278   3.847
  151   2HD   LYS  18          1HD       LYS  18  -0.066  -9.901   3.358
  152   1HE   LYS  18          2HE       LYS  18   1.321 -10.101   5.462
  153   2HE   LYS  18          1HE       LYS  18   0.808  -8.475   5.953
  154   1HZ   LYS  18          1HZ       LYS  18  -0.593 -10.187   6.953
  155   2HZ   LYS  18          2HZ       LYS  18  -1.029 -10.778   5.472
  156   3HZ   LYS  18          3HZ       LYS  18  -1.505  -9.263   5.931
  157    H    ILE  19           H        ILE  19   3.181  -5.453  -0.119
  158    HA   ILE  19           HA       ILE  19   1.844  -6.559  -2.639
  159    HB   ILE  19           HB       ILE  19   2.207  -3.606  -1.895
  160   1HG1  ILE  19          2HG1      ILE  19  -0.263  -5.431  -1.637
  161   2HG1  ILE  19          1HG1      ILE  19   0.672  -4.775  -0.293
  162   1HG2  ILE  19          1HG2      ILE  19   0.633  -3.250  -3.800
  163   2HG2  ILE  19          2HG2      ILE  19   0.469  -5.014  -4.028
  164   3HG2  ILE  19          3HG2      ILE  19   2.023  -4.209  -4.360
  165   1HD1  ILE  19          1HD1      ILE  19  -1.346  -3.382  -0.628
  166   2HD1  ILE  19          2HD1      ILE  19  -0.935  -3.100  -2.336
  167   3HD1  ILE  19          3HD1      ILE  19   0.089  -2.411  -1.046
  168    H    LYS  20           H        LYS  20   3.341  -7.135  -4.033
  169    HA   LYS  20           HA       LYS  20   6.091  -5.968  -3.864
  170   1HB   LYS  20          1HB       LYS  20   4.767  -7.910  -5.857
  171   2HB   LYS  20          2HB       LYS  20   6.382  -7.250  -6.115
  172   1HG   LYS  20          2HG       LYS  20   6.707  -9.374  -5.076
  173   2HG   LYS  20          1HG       LYS  20   7.119  -8.157  -3.866
  174   1HD   LYS  20          2HD       LYS  20   4.893  -8.482  -2.758
  175   2HD   LYS  20          1HD       LYS  20   4.389  -9.584  -4.049
  176   1HE   LYS  20          1HE       LYS  20   5.160 -10.882  -2.078
  177   2HE   LYS  20          2HE       LYS  20   6.252 -11.165  -3.448
  178   1HZ   LYS  20          1HZ       LYS  20   7.484 -10.689  -1.412
  179   2HZ   LYS  20          2HZ       LYS  20   7.761  -9.486  -2.510
  180   3HZ   LYS  20          3HZ       LYS  20   6.743  -9.223  -1.235
  181    H    LYS  21           H        LYS  21   4.064  -6.339  -6.733
  182    HA   LYS  21           HA       LYS  21   4.703  -3.422  -7.379
  183   1HB   LYS  21          1HB       LYS  21   3.959  -5.779  -9.215
  184   2HB   LYS  21          2HB       LYS  21   4.160  -4.111  -9.779
  185   1HG   LYS  21          1HG       LYS  21   6.522  -4.105  -8.854
  186   2HG   LYS  21          2HG       LYS  21   6.339  -5.802  -8.393
  187   1HD   LYS  21          2HD       LYS  21   6.055  -4.715 -11.267
  188   2HD   LYS  21          1HD       LYS  21   7.513  -5.470 -10.610
  189   1HE   LYS  21          2HE       LYS  21   6.200  -7.589 -10.143
  190   2HE   LYS  21          1HE       LYS  21   4.765  -6.849 -10.881
  191   1HZ   LYS  21          1HZ       LYS  21   7.376  -7.267 -12.260
  192   2HZ   LYS  21          2HZ       LYS  21   6.039  -6.577 -12.945
  193   3HZ   LYS  21          3HZ       LYS  21   6.009  -8.165 -12.490
  194    H    VAL  22           H        VAL  22   1.073  -2.825  -7.416
  195    HA   VAL  22           HA       VAL  22   2.039  -0.828  -7.856
  196    HB   VAL  22           HB       VAL  22   3.306   0.005  -6.340
  197   1HG1  VAL  22          1HG2      VAL  22   3.516  -2.867  -5.271
  198   2HG1  VAL  22          2HG2      VAL  22   2.127  -1.769  -5.044
  199   3HG1  VAL  22          3HG2      VAL  22   3.710  -1.370  -4.327
  200   1HG2  VAL  22          1HG1      VAL  22   5.447  -0.415  -7.487
  201   2HG2  VAL  22          2HG1      VAL  22   5.534  -2.057  -6.796
  202   3HG2  VAL  22          3HG1      VAL  22   5.612  -0.637  -5.731
  203    H    TRP  23           H        TRP  23   2.022  -0.533  -9.779
  204    HA   TRP  23           HA       TRP  23   4.636  -0.155 -11.008
  205   1HB   TRP  23          1HB       TRP  23   4.600  -1.646 -12.884
  206   2HB   TRP  23          2HB       TRP  23   4.297  -2.651 -11.466
  207    HD1  TRP  23           HD1      TRP  23   2.778  -1.586 -14.795
  208    HE1  TRP  23           HE1      TRP  23   0.539  -2.912 -15.252
  209    HE3  TRP  23           HE3      TRP  23   2.263  -3.413 -10.213
  210    HZ2  TRP  23           HZ2      TRP  23  -1.017  -4.536 -13.666
  211    HZ3  TRP  23           HZ3      TRP  23   0.422  -4.930  -9.725
  212    HH2  TRP  23           HH2      TRP  23  -1.189  -5.487 -11.427
  213    H    ARG  24           H        ARG  24   4.498   1.521 -12.306
  214    HA   ARG  24           HA       ARG  24   1.751   2.689 -12.500
  215   1HB   ARG  24          1HB       ARG  24   4.545   3.795 -13.142
  216   2HB   ARG  24          2HB       ARG  24   3.074   4.662 -13.572
  217   1HG   ARG  24          1HG       ARG  24   3.759   5.551 -11.457
  218   2HG   ARG  24          2HG       ARG  24   2.303   4.601 -11.169
  219   1HD   ARG  24          1HD       ARG  24   4.011   4.200  -9.400
  220   2HD   ARG  24          2HD       ARG  24   3.691   2.703 -10.289
  221    HE   ARG  24           HE       ARG  24   5.948   4.047 -11.578
  222   1HH1  ARG  24          1HH2      ARG  24   4.885   2.510  -8.654
  223   2HH1  ARG  24          2HH2      ARG  24   6.571   1.914  -8.248
  224   1HH2  ARG  24          2HH1      ARG  24   7.941   3.339 -11.095
  225   2HH2  ARG  24          1HH1      ARG  24   8.224   2.362  -9.567
  226    H    VAL  25           H        VAL  25   0.543   2.891 -14.182
  227    HA   VAL  25           HA       VAL  25   1.821   2.375 -16.899
  228    HB   VAL  25           HB       VAL  25  -1.013   1.517 -16.062
  229   1HG1  VAL  25          1HG1      VAL  25  -0.990   0.347 -18.293
  230   2HG1  VAL  25          2HG1      VAL  25  -0.816   2.109 -18.485
  231   3HG1  VAL  25          3HG1      VAL  25   0.611   1.051 -18.645
  232   1HG2  VAL  25          1HG2      VAL  25  -0.105  -0.826 -16.285
  233   2HG2  VAL  25          2HG2      VAL  25   1.529  -0.166 -16.561
  234   3HG2  VAL  25          3HG2      VAL  25   0.726   0.065 -14.985
  235    H    GLY  26           H        GLY  26  -0.131   4.160 -14.802
  236   1HA   GLY  26          2HA       GLY  26  -0.265   6.407 -16.721
  237   2HA   GLY  26          1HA       GLY  26  -1.851   5.616 -16.609
  238    H    LYS  27           H        LYS  27  -3.081   6.859 -15.416
  239    HA   LYS  27           HA       LYS  27  -1.831   8.355 -13.134
  240   1HB   LYS  27          1HB       LYS  27  -4.019   9.513 -12.944
  241   2HB   LYS  27          2HB       LYS  27  -3.353   9.604 -14.577
  242   1HG   LYS  27          2HG       LYS  27  -4.855   7.758 -15.342
  243   2HG   LYS  27          1HG       LYS  27  -5.456   7.541 -13.689
  244   1HD   LYS  27          1HD       LYS  27  -6.251   9.959 -13.694
  245   2HD   LYS  27          2HD       LYS  27  -5.789  10.075 -15.399
  246   1HE   LYS  27          1HE       LYS  27  -7.360   8.182 -15.963
  247   2HE   LYS  27          2HE       LYS  27  -7.769   8.000 -14.246
  248   1HZ   LYS  27          1HZ       LYS  27  -8.581  10.317 -14.277
  249   2HZ   LYS  27          2HZ       LYS  27  -9.402   9.383 -15.364
  250   3HZ   LYS  27          3HZ       LYS  27  -8.247  10.444 -15.891
  251    H    MET  28           H        MET  28  -4.082   5.687 -13.628
  252    HA   MET  28           HA       MET  28  -4.581   5.607 -10.647
  253   1HB   MET  28          2HB       MET  28  -5.444   3.616 -12.836
  254   2HB   MET  28          1HB       MET  28  -5.937   3.565 -11.138
  255   1HG   MET  28          1HG       MET  28  -6.968   5.900 -11.413
  256   2HG   MET  28          2HG       MET  28  -6.581   5.818 -13.148
  257   1HE   MET  28          1HE       MET  28  -9.435   6.339 -12.160
  258   2HE   MET  28          2HE       MET  28  -9.158   6.044 -13.906
  259   3HE   MET  28          3HE       MET  28 -10.468   5.175 -13.042
  260    H    ILE  29           H        ILE  29  -3.550   4.373  -9.279
  261    HA   ILE  29           HA       ILE  29  -1.166   2.899 -10.389
  262    HB   ILE  29           HB       ILE  29  -2.061   3.266  -7.467
  263   1HG1  ILE  29          2HG1      ILE  29  -1.673   5.470  -8.460
  264   2HG1  ILE  29          1HG1      ILE  29  -0.361   5.068  -7.355
  265   1HG2  ILE  29          1HG2      ILE  29   0.624   2.387  -8.708
  266   2HG2  ILE  29          2HG2      ILE  29  -0.490   1.372  -7.757
  267   3HG2  ILE  29          3HG2      ILE  29   0.358   2.731  -6.978
  268   1HD1  ILE  29          1HD1      ILE  29   1.101   4.402  -9.331
  269   2HD1  ILE  29          2HD1      ILE  29  -0.229   4.840 -10.439
  270   3HD1  ILE  29          3HD1      ILE  29   0.545   6.090  -9.439
  271    H    SER  30           H        SER  30  -1.251   0.895 -10.892
  272    HA   SER  30           HA       SER  30  -3.547  -0.772  -9.817
  273   1HB   SER  30          1HB       SER  30  -3.056  -0.866 -12.279
  274   2HB   SER  30          2HB       SER  30  -1.402  -1.414 -11.942
  275    HG   SER  30           HG       SER  30  -2.828  -3.127 -12.364
  276    H    PHE  31           H        PHE  31  -3.151  -2.787  -8.816
  277    HA   PHE  31           HA       PHE  31  -0.373  -3.459  -8.061
  278   1HB   PHE  31          1HB       PHE  31  -0.484  -3.015  -5.663
  279   2HB   PHE  31          2HB       PHE  31  -0.799  -1.511  -6.528
  280    HD1  PHE  31           HD1      PHE  31  -3.185  -0.743  -6.728
  281    HD2  PHE  31           HD2      PHE  31  -2.102  -3.959  -4.265
  282    HE1  PHE  31           HE1      PHE  31  -5.257  -0.510  -5.511
  283    HE2  PHE  31           HE2      PHE  31  -4.172  -3.722  -3.045
  284    HZ   PHE  31           HZ       PHE  31  -5.760  -2.001  -3.668
  285    H    THR  32           H        THR  32  -0.167  -5.401  -7.058
  286    HA   THR  32           HA       THR  32  -2.802  -6.939  -6.825
  287    HB   THR  32           HB       THR  32  -1.570  -8.956  -7.660
  288    HG1  THR  32           HG1      THR  32   0.469  -8.565  -8.587
  289   1HG2  THR  32          1HG2      THR  32  -2.829  -7.499  -9.287
  290   2HG2  THR  32          2HG2      THR  32  -1.385  -8.218 -10.049
  291   3HG2  THR  32          3HG2      THR  32  -1.366  -6.510  -9.537
  292    H    TYR  33           H        TYR  33  -3.066  -7.091  -4.731
  293    HA   TYR  33           HA       TYR  33  -0.665  -7.738  -3.005
  294   1HB   TYR  33          2HB       TYR  33  -2.189  -7.445  -1.078
  295   2HB   TYR  33          1HB       TYR  33  -2.284  -6.045  -2.151
  296    HD1  TYR  33           HD1      TYR  33  -4.223  -5.861  -3.706
  297    HD2  TYR  33           HD2      TYR  33  -4.078  -8.810  -0.728
  298    HE1  TYR  33           HE1      TYR  33  -6.607  -6.172  -3.900
  299    HE2  TYR  33           HE2      TYR  33  -6.466  -9.112  -0.914
  300    HH   TYR  33           HH       TYR  33  -8.364  -7.236  -3.193
  301    H    ASP  34           H        ASP  34  -0.805  -9.542  -1.512
  302    HA   ASP  34           HA       ASP  34  -1.886 -11.876  -3.096
  303   1HB   ASP  34          2HB       ASP  34   0.512 -11.888  -2.345
  304   2HB   ASP  34          1HB       ASP  34  -0.007 -11.796  -0.653
  305    H    GLU  35           H        GLU  35  -3.691 -12.759  -2.644
  306    HA   GLU  35           HA       GLU  35  -4.412 -13.434   0.144
  307   1HB   GLU  35          2HB       GLU  35  -5.042 -10.997   0.092
  308   2HB   GLU  35          1HB       GLU  35  -6.081 -11.286  -1.312
  309   1HG   GLU  35          1HG       GLU  35  -7.484 -12.884   0.030
  310   2HG   GLU  35          2HG       GLU  35  -6.412 -12.670   1.425
  311    HE2  GLU  35           HE2      GLU  35  -9.151 -11.949   0.321
  312    H    GLY  36           H        GLY  36  -4.395 -15.442  -0.947
  313   1HA   GLY  36          2HA       GLY  36  -7.023 -16.376  -1.703
  314   2HA   GLY  36          1HA       GLY  36  -6.217 -15.934  -3.218
  315    H    GLY  37           H        GLY  37  -3.605 -16.652  -2.678
  316   1HA   GLY  37          2HA       GLY  37  -2.224 -18.663  -2.709
  317   2HA   GLY  37          1HA       GLY  37  -3.473 -19.469  -1.729
  318    H    GLY  38           H        GLY  38  -3.682 -17.800  -4.845
  319   1HA   GLY  38          2HA       GLY  38  -3.769 -19.630  -6.867
  320   2HA   GLY  38          1HA       GLY  38  -5.123 -20.267  -5.902
  321    H    LYS  39           H        LYS  39  -5.808 -17.593  -4.911
  322    HA   LYS  39           HA       LYS  39  -6.899 -16.409  -7.511
  323   1HB   LYS  39          2HB       LYS  39  -8.351 -16.583  -4.795
  324   2HB   LYS  39          1HB       LYS  39  -8.984 -15.787  -6.242
  325   1HG   LYS  39          1HG       LYS  39  -8.888 -17.992  -7.482
  326   2HG   LYS  39          2HG       LYS  39  -8.265 -18.778  -6.023
  327   1HD   LYS  39          2HD       LYS  39 -10.339 -18.033  -4.758
  328   2HD   LYS  39          1HD       LYS  39 -10.981 -17.335  -6.250
  329   1HE   LYS  39          2HE       LYS  39 -10.235 -20.303  -5.835
  330   2HE   LYS  39          1HE       LYS  39 -11.886 -19.646  -5.840
  331   1HZ   LYS  39          1HZ       LYS  39 -11.283 -20.530  -8.015
  332   2HZ   LYS  39          2HZ       LYS  39  -9.982 -19.519  -8.134
  333   3HZ   LYS  39          3HZ       LYS  39 -11.513 -18.899  -8.143
  334    H    THR  40           H        THR  40  -4.893 -15.209  -7.255
  335    HA   THR  40           HA       THR  40  -4.488 -13.435  -4.965
  336    HB   THR  40           HB       THR  40  -3.585 -13.081  -7.889
  337    HG1  THR  40           HG1      THR  40  -2.369 -14.306  -5.638
  338   1HG2  THR  40          1HG2      THR  40  -2.448 -11.944  -5.249
  339   2HG2  THR  40          2HG2      THR  40  -3.278 -10.996  -6.513
  340   3HG2  THR  40          3HG2      THR  40  -1.705 -11.758  -6.859
  341    H    GLY  41           H        GLY  41  -5.306 -11.524  -4.473
  342   1HA   GLY  41          2HA       GLY  41  -7.658 -10.594  -6.053
  343   2HA   GLY  41          1HA       GLY  41  -7.045  -9.816  -4.580
  344    H    ARG  42           H        ARG  42  -7.881  -8.520  -6.964
  345    HA   ARG  42           HA       ARG  42  -5.329  -6.993  -7.484
  346   1HB   ARG  42          2HB       ARG  42  -7.036  -8.172  -9.766
  347   2HB   ARG  42          1HB       ARG  42  -5.653  -7.088  -9.975
  348   1HG   ARG  42          1HG       ARG  42  -4.163  -8.794  -8.827
  349   2HG   ARG  42          2HG       ARG  42  -5.542  -9.895  -8.692
  350   1HD   ARG  42          2HD       ARG  42  -4.411  -8.776 -11.336
  351   2HD   ARG  42          1HD       ARG  42  -4.124 -10.409 -10.703
  352    HE   ARG  42           HE       ARG  42  -7.013 -10.017 -10.857
  353   1HH1  ARG  42          2HH2      ARG  42  -4.105 -10.228 -12.740
  354   2HH1  ARG  42          1HH2      ARG  42  -4.986 -10.942 -14.183
  355   1HH2  ARG  42          2HH1      ARG  42  -8.051 -10.861 -12.564
  356   2HH2  ARG  42          1HH1      ARG  42  -7.119 -11.285 -14.087
  357    H    GLY  43           H        GLY  43  -5.667  -4.897  -7.881
  358   1HA   GLY  43          1HA       GLY  43  -8.374  -3.940  -8.730
  359   2HA   GLY  43          2HA       GLY  43  -8.036  -3.607  -7.019
  360    H    ALA  44           H        ALA  44  -8.152  -1.374  -7.559
  361    HA   ALA  44           HA       ALA  44  -5.445  -0.324  -8.212
  362   1HB   ALA  44          1HB       ALA  44  -6.164   1.049 -10.198
  363   2HB   ALA  44          2HB       ALA  44  -6.361  -0.692 -10.531
  364   3HB   ALA  44          3HB       ALA  44  -7.785   0.308 -10.134
  365    H    VAL  45           H        VAL  45  -5.562   2.140  -8.353
  366    HA   VAL  45           HA       VAL  45  -7.887   3.314  -6.894
  367    HB   VAL  45           HB       VAL  45  -6.622   2.257  -5.039
  368   1HG1  VAL  45          1HG1      VAL  45  -4.319   3.042  -4.469
  369   2HG1  VAL  45          2HG1      VAL  45  -4.332   2.280  -6.079
  370   3HG1  VAL  45          3HG1      VAL  45  -4.277   4.058  -5.930
  371   1HG2  VAL  45          1HG2      VAL  45  -7.817   4.430  -4.642
  372   2HG2  VAL  45          2HG2      VAL  45  -6.335   5.328  -5.067
  373   3HG2  VAL  45          3HG2      VAL  45  -6.363   4.290  -3.618
  374    H    SER  46           H        SER  46  -8.097   5.378  -7.375
  375    HA   SER  46           HA       SER  46  -6.348   6.449  -9.463
  376   1HB   SER  46          1HB       SER  46  -7.701   8.541  -9.237
  377   2HB   SER  46          2HB       SER  46  -8.753   7.110  -9.249
  378    HG   SER  46           HG       SER  46  -9.251   8.570  -7.576
  379    H    GLU  47           H        GLU  47  -4.882   8.079  -9.429
  380    HA   GLU  47           HA       GLU  47  -3.404   8.276  -6.837
  381   1HB   GLU  47          2HB       GLU  47  -2.255   8.010  -9.069
  382   2HB   GLU  47          1HB       GLU  47  -2.856   9.595  -9.570
  383   1HG   GLU  47          1HG       GLU  47  -1.611  10.679  -7.662
  384   2HG   GLU  47          2HG       GLU  47  -1.050   9.088  -7.118
  385    H    LYS  48           H        LYS  48  -5.791  10.040  -8.512
  386    HA   LYS  48           HA       LYS  48  -5.060  12.714  -7.528
  387   1HB   LYS  48          1HB       LYS  48  -6.667  12.336  -9.414
  388   2HB   LYS  48          2HB       LYS  48  -7.816  11.576  -8.305
  389   1HG   LYS  48          1HG       LYS  48  -8.417  13.955  -8.698
  390   2HG   LYS  48          2HG       LYS  48  -8.009  13.700  -6.997
  391   1HD   LYS  48          1HD       LYS  48  -5.652  14.513  -7.449
  392   2HD   LYS  48          2HD       LYS  48  -6.085  14.806  -9.140
  393   1HE   LYS  48          2HE       LYS  48  -7.428  16.133  -6.696
  394   2HE   LYS  48          1HE       LYS  48  -6.234  16.904  -7.759
  395   1HZ   LYS  48          1HZ       LYS  48  -8.500  17.464  -8.419
  396   2HZ   LYS  48          2HZ       LYS  48  -7.781  16.595  -9.625
  397   3HZ   LYS  48          3HZ       LYS  48  -8.893  15.874  -8.639
  398    H    ASP  49           H        ASP  49  -6.835   9.991  -6.213
  399    HA   ASP  49           HA       ASP  49  -7.003  11.596  -3.619
  400   1HB   ASP  49          1HB       ASP  49  -9.105   9.611  -4.689
  401   2HB   ASP  49          2HB       ASP  49  -9.174  10.434  -3.121
  402    H    ALA  50           H        ALA  50  -4.854  10.363  -3.702
  403    HA   ALA  50           HA       ALA  50  -5.405   7.640  -2.438
  404   1HB   ALA  50          1HB       ALA  50  -4.140   7.442  -4.602
  405   2HB   ALA  50          2HB       ALA  50  -3.102   6.959  -3.235
  406   3HB   ALA  50          3HB       ALA  50  -2.893   8.562  -3.990
  407    HA   PRO  51           HA       PRO  51  -3.657   9.252   1.318
  408   1HB   PRO  51          1HB       PRO  51  -1.994   6.688   1.261
  409   2HB   PRO  51          2HB       PRO  51  -2.930   7.350   2.628
  410   1HG   PRO  51          2HG       PRO  51  -3.979   5.288   1.223
  411   2HG   PRO  51          1HG       PRO  51  -5.032   6.673   1.613
  412   1HD   PRO  51          2HD       PRO  51  -3.656   6.072  -1.057
  413   2HD   PRO  51          1HD       PRO  51  -5.326   6.664  -0.743
  414    H    LYS  52           H        LYS  52  -1.918  10.453   1.883
  415    HA   LYS  52           HA       LYS  52   0.091  10.802  -0.279
  416   1HB   LYS  52          2HB       LYS  52  -0.860  12.749   0.958
  417   2HB   LYS  52          1HB       LYS  52  -0.169  12.154   2.476
  418   1HG   LYS  52          2HG       LYS  52   2.147  12.296   1.477
  419   2HG   LYS  52          1HG       LYS  52   1.467  12.937  -0.022
  420   1HD   LYS  52          2HD       LYS  52   1.169  14.254   2.752
  421   2HD   LYS  52          1HD       LYS  52   2.365  14.718   1.536
  422   1HE   LYS  52          2HE       LYS  52   0.495  15.244  -0.096
  423   2HE   LYS  52          1HE       LYS  52  -0.696  14.855   1.163
  424   1HZ   LYS  52          1HZ       LYS  52   1.405  16.961   1.385
  425   2HZ   LYS  52          2HZ       LYS  52  -0.203  17.227   1.117
  426   3HZ   LYS  52          3HZ       LYS  52   0.301  16.594   2.558
  427    H    GLU  53           H        GLU  53  -0.073   9.127   2.730
  428    HA   GLU  53           HA       GLU  53   2.845   9.082   3.156
  429   1HB   GLU  53          2HB       GLU  53   2.386   7.284   4.809
  430   2HB   GLU  53          1HB       GLU  53   1.300   8.661   5.026
  431   1HG   GLU  53          1HG       GLU  53  -0.509   7.446   3.747
  432   2HG   GLU  53          2HG       GLU  53   0.578   6.065   3.521
  433    H    LEU  54           H        LEU  54   0.690   7.404   1.089
  434    HA   LEU  54           HA       LEU  54   2.610   5.123   0.727
  435   1HB   LEU  54          1HB       LEU  54   0.015   5.066   0.613
  436   2HB   LEU  54          2HB       LEU  54   0.137   5.794  -0.984
  437    HG   LEU  54           HG       LEU  54   1.537   3.164  -0.175
  438   1HD1  LEU  54          1HD1      LEU  54  -0.392   2.039  -1.312
  439   2HD1  LEU  54          2HD1      LEU  54  -0.950   3.002   0.083
  440   3HD1  LEU  54          3HD1      LEU  54  -1.172   3.622  -1.576
  441   1HD2  LEU  54          1HD2      LEU  54   0.869   4.409  -2.928
  442   2HD2  LEU  54          2HD2      LEU  54   2.504   4.168  -2.254
  443   3HD2  LEU  54          3HD2      LEU  54   1.505   2.762  -2.684
  444    H    LEU  55           H        LEU  55   1.719   8.175  -0.741
  445    HA   LEU  55           HA       LEU  55   3.225   7.545  -3.233
  446   1HB   LEU  55          1HB       LEU  55   2.168  10.243  -2.194
  447   2HB   LEU  55          2HB       LEU  55   2.745   9.938  -3.836
  448    HG   LEU  55           HG       LEU  55   0.358   8.503  -2.519
  449   1HD1  LEU  55          1HD2      LEU  55   0.465  10.757  -4.623
  450   2HD1  LEU  55          2HD2      LEU  55  -0.058  10.943  -2.928
  451   3HD1  LEU  55          3HD2      LEU  55  -1.012   9.937  -4.051
  452   1HD2  LEU  55          1HD1      LEU  55   1.408   8.502  -5.425
  453   2HD2  LEU  55          2HD1      LEU  55   1.438   7.112  -4.305
  454   3HD2  LEU  55          3HD1      LEU  55  -0.119   7.755  -4.884
  455    H    GLN  56           H        GLN  56   4.028   8.680  -0.123
  456    HA   GLN  56           HA       GLN  56   6.345  10.294  -1.065
  457   1HB   GLN  56          2HB       GLN  56   5.206  10.702   1.145
  458   2HB   GLN  56          1HB       GLN  56   5.751   9.119   1.722
  459   1HG   GLN  56          2HG       GLN  56   8.151   9.823   1.414
  460   2HG   GLN  56          1HG       GLN  56   7.616  11.390   0.779
  461   1HE2  GLN  56          2HE2      GLN  56   6.668  12.878   2.143
  462   2HE2  GLN  56          1HE2      GLN  56   6.806  12.740   3.967
  463    H    MET  57           H        MET  57   5.666   6.972  -0.448
  464    HA   MET  57           HA       MET  57   8.531   6.214  -0.131
  465   1HB   MET  57          1HB       MET  57   6.654   4.753   0.696
  466   2HB   MET  57          2HB       MET  57   6.092   4.524  -0.963
  467   1HG   MET  57          2HG       MET  57   7.515   2.590  -0.223
  468   2HG   MET  57          1HG       MET  57   8.262   3.435  -1.591
  469   1HE   MET  57          1HE       MET  57   9.572   3.665   2.867
  470   2HE   MET  57          2HE       MET  57   8.320   2.583   2.185
  471   3HE   MET  57          3HE       MET  57   8.004   4.341   2.330
  472    H    LEU  58           H        LEU  58   6.328   6.928  -2.679
  473    HA   LEU  58           HA       LEU  58   8.614   6.447  -4.633
  474   1HB   LEU  58          2HB       LEU  58   5.652   5.798  -5.185
  475   2HB   LEU  58          1HB       LEU  58   6.953   5.699  -6.374
  476    HG   LEU  58           HG       LEU  58   6.826   4.032  -3.786
  477   1HD1  LEU  58          1HD2      LEU  58   6.188   3.287  -6.712
  478   2HD1  LEU  58          2HD2      LEU  58   6.205   2.157  -5.332
  479   3HD1  LEU  58          3HD2      LEU  58   4.992   3.464  -5.399
  480   1HD2  LEU  58          1HD1      LEU  58   8.618   2.674  -4.947
  481   2HD2  LEU  58          2HD1      LEU  58   9.167   4.336  -4.626
  482   3HD2  LEU  58          3HD1      LEU  58   8.658   3.868  -6.271
  483    H    GLU  59           H        GLU  59   7.649   9.927  -5.075
  484    HA   GLU  59           HA       GLU  59   9.251   8.057  -3.374
  485   1HB   GLU  59          1HB       GLU  59  10.363   9.092  -6.066
  486   2HB   GLU  59          2HB       GLU  59  11.360   8.421  -4.774
  487   1HG   GLU  59          1HG       GLU  59  10.099   6.235  -4.929
  488   2HG   GLU  59          2HG       GLU  59   9.141   6.890  -6.269
  489    H    LYS  60           H        LYS  60  10.672  10.517  -5.334
  490    HA   LYS  60           HA       LYS  60  10.250  12.963  -4.188
  491   1HB   LYS  60          2HB       LYS  60  11.419  13.076  -1.980
  492   2HB   LYS  60          1HB       LYS  60  10.061  11.942  -1.935
  493   1HG   LYS  60          2HG       LYS  60  11.679  10.035  -2.408
  494   2HG   LYS  60          1HG       LYS  60  13.026  11.173  -2.307
  495   1HD   LYS  60          1HD       LYS  60  10.989  10.597  -0.061
  496   2HD   LYS  60          2HD       LYS  60  12.621   9.926  -0.153
  497   1HE   LYS  60          2HE       LYS  60  11.926  12.923   0.113
  498   2HE   LYS  60          1HE       LYS  60  12.565  11.874   1.391
  499   1HZ   LYS  60          1HZ       LYS  60  14.564  11.527   0.034
  500   2HZ   LYS  60          2HZ       LYS  60  13.973  12.497  -1.164
  501   3HZ   LYS  60          3HZ       LYS  60  14.333  13.137   0.315
  502    H    GLN  61           H        GLN  61  11.899  14.423  -4.422
  503    HA   GLN  61           HA       GLN  61  14.509  13.178  -5.416
  504   1HB   GLN  61          2HB       GLN  61  12.997  15.588  -6.600
  505   2HB   GLN  61          1HB       GLN  61  14.613  15.066  -7.102
  506   1HG   GLN  61          1HG       GLN  61  13.679  12.795  -7.717
  507   2HG   GLN  61          2HG       GLN  61  12.060  13.336  -7.241
  508   1HE2  GLN  61          1HE2      GLN  61  10.856  14.027  -8.809
  509   2HE2  GLN  61          2HE2      GLN  61  11.443  14.793 -10.369
  510    H    LYS  62           H        LYS  62  14.044  16.583  -5.573
  511    HA   LYS  62           HA       LYS  62  16.269  16.955  -3.647
  512   1HB   LYS  62          1HB       LYS  62  14.338  18.950  -4.980
  513   2HB   LYS  62          2HB       LYS  62  15.518  19.442  -3.772
  514   1HG   LYS  62          1HG       LYS  62  16.539  19.840  -5.907
  515   2HG   LYS  62          2HG       LYS  62  17.393  18.501  -5.145
  516   1HD   LYS  62          1HD       LYS  62  17.059  18.038  -7.533
  517   2HD   LYS  62          2HD       LYS  62  16.140  16.865  -6.590
  518   1HE   LYS  62          1HE       LYS  62  14.033  18.207  -6.959
  519   2HE   LYS  62          2HE       LYS  62  14.964  19.434  -7.841
  520   1HZ   LYS  62          1HZ       LYS  62  15.588  17.706  -9.453
  521   2HZ   LYS  62          2HZ       LYS  62  13.944  17.833  -9.352
  522   3HZ   LYS  62          3HZ       LYS  62  14.721  16.566  -8.630
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1  -0.772   0.450  10.498
    2   2H    ALA   1          2H        ALA   1  -0.163   1.976  10.671
    3   3H    ALA   1          3H        ALA   1  -1.713   1.760  10.142
    4    HA   ALA   1           HA       ALA   1  -0.286   2.380   8.279
    5   1HB   ALA   1          1HB       ALA   1   1.532   0.756   7.628
    6   2HB   ALA   1          2HB       ALA   1   1.173  -0.231   9.070
    7   3HB   ALA   1          3HB       ALA   1   1.827   1.418   9.258
    8    H    THR   2           H        THR   2  -2.758   1.579   8.507
    9    HA   THR   2           HA       THR   2  -2.900  -0.680   6.453
   10    HB   THR   2           HB       THR   2  -5.106  -1.337   7.476
   11    HG1  THR   2           HG1      THR   2  -5.486   0.655   8.481
   12   1HG2  THR   2          1HG2      THR   2  -3.001  -2.557   8.134
   13   2HG2  THR   2          2HG2      THR   2  -2.730  -1.387   9.453
   14   3HG2  THR   2          3HG2      THR   2  -4.147  -2.468   9.498
   15    H    VAL   3           H        VAL   3  -4.007  -0.216   4.709
   16    HA   VAL   3           HA       VAL   3  -5.293   2.535   4.631
   17    HB   VAL   3           HB       VAL   3  -4.606   0.530   2.405
   18   1HG1  VAL   3          1HG2      VAL   3  -6.622   1.889   1.777
   19   2HG1  VAL   3          2HG2      VAL   3  -5.774   3.387   2.247
   20   3HG1  VAL   3          3HG2      VAL   3  -5.201   2.435   0.853
   21   1HG2  VAL   3          1HG1      VAL   3  -2.896   2.278   1.805
   22   2HG2  VAL   3          2HG1      VAL   3  -3.394   3.248   3.216
   23   3HG2  VAL   3          3HG1      VAL   3  -2.625   1.656   3.453
   24    H    LYS   4           H        LYS   4  -7.345   2.695   4.975
   25    HA   LYS   4           HA       LYS   4  -9.028   0.231   4.959
   26   1HB   LYS   4          2HB       LYS   4  -9.244   2.214   6.602
   27   2HB   LYS   4          1HB       LYS   4  -9.983   3.135   5.282
   28   1HG   LYS   4          2HG       LYS   4 -11.754   1.343   5.045
   29   2HG   LYS   4          1HG       LYS   4 -10.958   0.385   6.297
   30   1HD   LYS   4          1HD       LYS   4 -12.838   1.577   7.315
   31   2HD   LYS   4          2HD       LYS   4 -11.336   2.232   7.974
   32   1HE   LYS   4          1HE       LYS   4 -11.479   4.195   6.404
   33   2HE   LYS   4          2HE       LYS   4 -12.933   3.507   5.657
   34   1HZ   LYS   4          1HZ       LYS   4 -13.492   5.124   7.375
   35   2HZ   LYS   4          2HZ       LYS   4 -14.035   3.632   7.832
   36   3HZ   LYS   4          3HZ       LYS   4 -12.680   4.268   8.530
   37    H    PHE   5           H        PHE   5  -9.082  -0.470   2.885
   38    HA   PHE   5           HA       PHE   5 -10.038   1.448   0.756
   39   1HB   PHE   5          2HB       PHE   5  -8.297  -0.263   0.184
   40   2HB   PHE   5          1HB       PHE   5  -9.397  -1.567   0.650
   41    HD1  PHE   5           HD1      PHE   5  -9.359   1.435  -1.545
   42    HD2  PHE   5           HD2      PHE   5 -10.643  -2.519  -1.012
   43    HE1  PHE   5           HE1      PHE   5 -10.307   1.443  -3.772
   44    HE2  PHE   5           HE2      PHE   5 -11.591  -2.512  -3.238
   45    HZ   PHE   5           HZ       PHE   5 -11.424  -0.531  -4.618
   46    H    LYS   6           H        LYS   6 -11.982   1.870   1.945
   47    HA   LYS   6           HA       LYS   6 -13.859  -0.337   2.465
   48   1HB   LYS   6          2HB       LYS   6 -15.518   1.479   2.936
   49   2HB   LYS   6          1HB       LYS   6 -13.976   1.764   3.759
   50   1HG   LYS   6          2HG       LYS   6 -13.257   3.268   1.844
   51   2HG   LYS   6          1HG       LYS   6 -14.847   3.068   1.102
   52   1HD   LYS   6          1HD       LYS   6 -14.319   4.219   3.917
   53   2HD   LYS   6          2HD       LYS   6 -14.644   5.182   2.470
   54   1HE   LYS   6          2HE       LYS   6 -16.593   3.154   3.741
   55   2HE   LYS   6          1HE       LYS   6 -16.710   4.918   3.835
   56   1HZ   LYS   6          1HZ       LYS   6 -18.098   4.034   2.056
   57   2HZ   LYS   6          2HZ       LYS   6 -16.913   4.981   1.403
   58   3HZ   LYS   6          3HZ       LYS   6 -16.802   3.336   1.308
   59    H    TYR   7           H        TYR   7 -15.702  -0.910   1.415
   60    HA   TYR   7           HA       TYR   7 -16.283   0.394  -1.233
   61   1HB   TYR   7          2HB       TYR   7 -14.477  -1.332  -1.672
   62   2HB   TYR   7          1HB       TYR   7 -15.515  -2.586  -0.991
   63    HD1  TYR   7           HD1      TYR   7 -16.012   0.227  -3.404
   64    HD2  TYR   7           HD2      TYR   7 -16.472  -3.868  -2.614
   65    HE1  TYR   7           HE1      TYR   7 -17.059  -0.074  -5.559
   66    HE2  TYR   7           HE2      TYR   7 -17.517  -4.164  -4.772
   67    HH   TYR   7           HH       TYR   7 -17.976  -1.456  -6.954
   68    H    LYS   8           H        LYS   8 -18.363  -0.161  -2.009
   69    HA   LYS   8           HA       LYS   8 -20.231  -0.638   0.189
   70   1HB   LYS   8          2HB       LYS   8 -20.740  -0.786  -2.846
   71   2HB   LYS   8          1HB       LYS   8 -21.994  -0.660  -1.601
   72   1HG   LYS   8          2HG       LYS   8 -20.995   1.522  -0.817
   73   2HG   LYS   8          1HG       LYS   8 -19.744   1.398  -2.064
   74   1HD   LYS   8          2HD       LYS   8 -21.519   1.392  -3.855
   75   2HD   LYS   8          1HD       LYS   8 -22.779   1.466  -2.614
   76   1HE   LYS   8          2HE       LYS   8 -22.354   3.741  -3.501
   77   2HE   LYS   8          1HE       LYS   8 -21.864   3.670  -1.797
   78   1HZ   LYS   8          1HZ       LYS   8 -20.160   4.722  -3.165
   79   2HZ   LYS   8          2HZ       LYS   8 -20.021   3.386  -4.128
   80   3HZ   LYS   8          3HZ       LYS   8 -19.562   3.313  -2.543
   81    H    GLY   9           H        GLY   9 -18.709  -2.699  -2.170
   82   1HA   GLY   9          2HA       GLY   9 -20.571  -4.969  -1.731
   83   2HA   GLY   9          1HA       GLY   9 -18.989  -5.090  -2.523
   84    H    GLU  10           H        GLU  10 -17.640  -3.752  -0.211
   85    HA   GLU  10           HA       GLU  10 -18.091  -5.213   2.228
   86   1HB   GLU  10          2HB       GLU  10 -17.764  -7.216   0.723
   87   2HB   GLU  10          1HB       GLU  10 -16.140  -6.643   0.318
   88   1HG   GLU  10          2HG       GLU  10 -15.484  -6.783   2.755
   89   2HG   GLU  10          1HG       GLU  10 -17.120  -7.326   3.165
   90    H    GLU  11           H        GLU  11 -16.772  -4.484   3.749
   91    HA   GLU  11           HA       GLU  11 -14.726  -2.481   2.908
   92   1HB   GLU  11          2HB       GLU  11 -16.161  -2.197   4.965
   93   2HB   GLU  11          1HB       GLU  11 -15.394  -3.612   5.698
   94   1HG   GLU  11          1HG       GLU  11 -13.147  -2.464   5.569
   95   2HG   GLU  11          2HG       GLU  11 -13.910  -1.057   4.806
   96    H    LEU  12           H        LEU  12 -12.606  -2.741   2.789
   97    HA   LEU  12           HA       LEU  12 -11.470  -5.368   3.835
   98   1HB   LEU  12          2HB       LEU  12 -10.937  -4.163   1.046
   99   2HB   LEU  12          1HB       LEU  12 -10.053  -5.530   1.726
  100    HG   LEU  12           HG       LEU  12 -13.094  -5.501   1.241
  101   1HD1  LEU  12          1HD2      LEU  12 -10.797  -6.801  -0.356
  102   2HD1  LEU  12          2HD2      LEU  12 -11.767  -5.401  -0.886
  103   3HD1  LEU  12          3HD2      LEU  12 -12.539  -6.998  -0.691
  104   1HD2  LEU  12          1HD1      LEU  12 -12.406  -7.097   3.055
  105   2HD2  LEU  12          2HD1      LEU  12 -11.141  -7.775   1.993
  106   3HD2  LEU  12          3HD1      LEU  12 -12.863  -7.991   1.584
  107    H    GLN  13           H        GLN  13  -9.384  -5.275   4.484
  108    HA   GLN  13           HA       GLN  13  -8.222  -2.443   4.515
  109   1HB   GLN  13          1HB       GLN  13  -7.996  -4.619   6.686
  110   2HB   GLN  13          2HB       GLN  13  -7.208  -3.034   6.740
  111   1HG   GLN  13          2HG       GLN  13  -9.476  -1.910   6.615
  112   2HG   GLN  13          1HG       GLN  13 -10.257  -3.501   6.610
  113   1HE2  GLN  13          2HE2      GLN  13  -8.749  -1.064   8.465
  114   2HE2  GLN  13          1HE2      GLN  13  -8.915  -1.883  10.099
  115    H    VAL  14           H        VAL  14  -6.796  -2.579   2.921
  116    HA   VAL  14           HA       VAL  14  -5.089  -5.039   2.685
  117    HB   VAL  14           HB       VAL  14  -4.053  -3.865   0.751
  118   1HG1  VAL  14          1HG1      VAL  14  -6.199  -5.143   0.450
  119   2HG1  VAL  14          2HG1      VAL  14  -6.103  -3.757  -0.668
  120   3HG1  VAL  14          3HG1      VAL  14  -7.134  -3.661   0.783
  121   1HG2  VAL  14          1HG2      VAL  14  -5.918  -1.524   1.519
  122   2HG2  VAL  14          2HG2      VAL  14  -4.922  -1.623   0.045
  123   3HG2  VAL  14          3HG2      VAL  14  -4.137  -1.517   1.641
  124    H    ASP  15           H        ASP  15  -2.672  -4.488   2.265
  125    HA   ASP  15           HA       ASP  15  -1.811  -2.641   4.546
  126   1HB   ASP  15          2HB       ASP  15  -1.658  -5.092   5.153
  127   2HB   ASP  15          1HB       ASP  15  -0.583  -5.361   3.772
  128    H    ILE  16           H        ILE  16   0.077  -1.524   4.251
  129    HA   ILE  16           HA       ILE  16   0.727  -1.129   1.355
  130    HB   ILE  16           HB       ILE  16   2.197   0.734   2.142
  131   1HG1  ILE  16          2HG1      ILE  16   1.623   1.423   4.625
  132   2HG1  ILE  16          1HG1      ILE  16   1.359  -0.297   4.907
  133   1HG2  ILE  16          1HG2      ILE  16  -0.656   0.683   3.300
  134   2HG2  ILE  16          2HG2      ILE  16  -0.228   1.029   1.602
  135   3HG2  ILE  16          3HG2      ILE  16   0.290   2.141   2.897
  136   1HD1  ILE  16          1HD1      ILE  16   3.954   0.968   3.770
  137   2HD1  ILE  16          2HD1      ILE  16   3.740  -0.766   4.123
  138   3HD1  ILE  16          3HD1      ILE  16   3.726   0.418   5.451
  139    H    SER  17           H        SER  17   1.880  -2.990   3.931
  140    HA   SER  17           HA       SER  17   4.659  -3.042   2.786
  141   1HB   SER  17          1HB       SER  17   4.324  -3.038   5.272
  142   2HB   SER  17          2HB       SER  17   3.433  -4.569   5.167
  143    HG   SER  17           HG       SER  17   5.638  -4.850   5.657
  144    H    LYS  18           H        LYS  18   1.761  -4.558   2.198
  145    HA   LYS  18           HA       LYS  18   3.174  -7.142   1.397
  146   1HB   LYS  18          1HB       LYS  18   0.172  -6.491   1.611
  147   2HB   LYS  18          2HB       LYS  18   0.832  -8.049   1.091
  148   1HG   LYS  18          1HG       LYS  18   2.036  -8.293   3.287
  149   2HG   LYS  18          2HG       LYS  18   1.400  -6.728   3.817
  150   1HD   LYS  18          1HD       LYS  18  -0.957  -7.595   3.544
  151   2HD   LYS  18          2HD       LYS  18  -0.319  -9.161   3.017
  152   1HE   LYS  18          2HE       LYS  18   0.884  -9.417   5.225
  153   2HE   LYS  18          1HE       LYS  18   0.250  -7.847   5.753
  154   1HZ   LYS  18          1HZ       LYS  18  -1.147  -9.673   6.531
  155   2HZ   LYS  18          2HZ       LYS  18  -1.419 -10.200   4.989
  156   3HZ   LYS  18          3HZ       LYS  18  -2.011  -8.738   5.478
  157    H    ILE  19           H        ILE  19   2.845  -4.286   0.126
  158    HA   ILE  19           HA       ILE  19   1.704  -5.226  -2.524
  159    HB   ILE  19           HB       ILE  19   2.762  -2.466  -1.682
  160   1HG1  ILE  19          2HG1      ILE  19  -0.090  -3.606  -1.949
  161   2HG1  ILE  19          1HG1      ILE  19   0.717  -3.189  -0.435
  162   1HG2  ILE  19          1HG2      ILE  19   2.914  -2.923  -4.158
  163   2HG2  ILE  19          2HG2      ILE  19   1.660  -1.712  -3.822
  164   3HG2  ILE  19          3HG2      ILE  19   1.197  -3.399  -4.178
  165   1HD1  ILE  19          1HD1      ILE  19  -0.804  -1.345  -1.068
  166   2HD1  ILE  19          2HD1      ILE  19   0.875  -0.761  -1.201
  167   3HD1  ILE  19          3HD1      ILE  19  -0.046  -1.192  -2.669
  168    H    LYS  20           H        LYS  20   3.187  -6.560  -3.356
  169    HA   LYS  20           HA       LYS  20   6.072  -5.656  -3.367
  170   1HB   LYS  20          2HB       LYS  20   5.519  -8.059  -2.898
  171   2HB   LYS  20          1HB       LYS  20   4.751  -8.204  -4.487
  172   1HG   LYS  20          2HG       LYS  20   6.932  -7.591  -5.597
  173   2HG   LYS  20          1HG       LYS  20   7.701  -7.439  -4.010
  174   1HD   LYS  20          2HD       LYS  20   7.125  -9.854  -3.509
  175   2HD   LYS  20          1HD       LYS  20   6.398 -10.009  -5.115
  176   1HE   LYS  20          2HE       LYS  20   9.344  -9.269  -4.553
  177   2HE   LYS  20          1HE       LYS  20   8.765 -10.865  -5.070
  178   1HZ   LYS  20          1HZ       LYS  20   9.527  -9.548  -6.957
  179   2HZ   LYS  20          2HZ       LYS  20   7.906  -9.829  -7.109
  180   3HZ   LYS  20          3HZ       LYS  20   8.445  -8.343  -6.631
  181    H    LYS  21           H        LYS  21   4.141  -7.216  -5.908
  182    HA   LYS  21           HA       LYS  21   5.614  -5.654  -7.948
  183   1HB   LYS  21          2HB       LYS  21   3.053  -7.342  -8.236
  184   2HB   LYS  21          1HB       LYS  21   4.054  -6.754  -9.574
  185   1HG   LYS  21          2HG       LYS  21   6.025  -8.042  -8.689
  186   2HG   LYS  21          1HG       LYS  21   5.074  -8.544  -7.290
  187   1HD   LYS  21          2HD       LYS  21   5.064 -10.403  -8.771
  188   2HD   LYS  21          1HD       LYS  21   3.439  -9.726  -8.874
  189   1HE   LYS  21          2HE       LYS  21   5.683  -9.028 -10.880
  190   2HE   LYS  21          1HE       LYS  21   4.606 -10.416 -11.093
  191   1HZ   LYS  21          1HZ       LYS  21   2.703  -8.903 -11.066
  192   2HZ   LYS  21          2HZ       LYS  21   3.763  -8.482 -12.261
  193   3HZ   LYS  21          3HZ       LYS  21   3.692  -7.593 -10.870
  194    H    VAL  22           H        VAL  22   4.990  -3.932  -9.093
  195    HA   VAL  22           HA       VAL  22   2.203  -2.904  -8.863
  196    HB   VAL  22           HB       VAL  22   3.174  -2.195  -6.689
  197   1HG1  VAL  22          1HG2      VAL  22   5.239  -0.645  -8.385
  198   2HG1  VAL  22          2HG2      VAL  22   5.055  -0.548  -6.617
  199   3HG1  VAL  22          3HG2      VAL  22   5.593  -2.070  -7.370
  200   1HG2  VAL  22          1HG1      VAL  22   1.499  -0.704  -7.819
  201   2HG2  VAL  22          2HG1      VAL  22   2.821   0.169  -8.641
  202   3HG2  VAL  22          3HG1      VAL  22   2.672   0.244  -6.867
  203    H    TRP  23           H        TRP  23   1.703  -1.631 -10.514
  204    HA   TRP  23           HA       TRP  23   3.914  -0.296 -12.045
  205   1HB   TRP  23          2HB       TRP  23   3.496  -1.454 -14.164
  206   2HB   TRP  23          1HB       TRP  23   3.888  -2.659 -12.934
  207    HD1  TRP  23           HD1      TRP  23   1.008  -1.479 -15.219
  208    HE1  TRP  23           HE1      TRP  23  -1.011  -3.183 -15.111
  209    HE3  TRP  23           HE3      TRP  23   2.737  -4.155 -11.412
  210    HZ2  TRP  23           HZ2      TRP  23  -1.543  -5.335 -13.483
  211    HZ3  TRP  23           HZ3      TRP  23   1.437  -6.048 -10.588
  212    HH2  TRP  23           HH2      TRP  23  -0.668  -6.632 -11.616
  213    H    ARG  24           H        ARG  24   3.251   1.475 -13.009
  214    HA   ARG  24           HA       ARG  24   0.314   2.078 -12.704
  215   1HB   ARG  24          2HB       ARG  24   0.814   4.380 -12.957
  216   2HB   ARG  24          1HB       ARG  24   2.104   3.746 -11.944
  217   1HG   ARG  24          2HG       ARG  24   2.289   4.281 -14.986
  218   2HG   ARG  24          1HG       ARG  24   2.882   5.351 -13.721
  219   1HD   ARG  24          1HD       ARG  24   3.937   2.521 -14.305
  220   2HD   ARG  24          2HD       ARG  24   4.753   4.053 -14.659
  221    HE   ARG  24           HE       ARG  24   4.170   4.011 -11.798
  222   1HH1  ARG  24          2HH2      ARG  24   5.970   2.447 -14.320
  223   2HH1  ARG  24          1HH2      ARG  24   7.333   1.982 -13.181
  224   1HH2  ARG  24          2HH1      ARG  24   5.782   3.459 -10.456
  225   2HH2  ARG  24          1HH1      ARG  24   7.229   2.528 -11.090
  226    H    VAL  25           H        VAL  25  -1.018   2.662 -14.344
  227    HA   VAL  25           HA       VAL  25   0.096   1.997 -17.108
  228    HB   VAL  25           HB       VAL  25  -2.778   1.581 -16.098
  229   1HG1  VAL  25          1HG2      VAL  25  -2.625   1.990 -18.562
  230   2HG1  VAL  25          2HG2      VAL  25  -1.357   0.742 -18.706
  231   3HG1  VAL  25          3HG2      VAL  25  -3.016   0.280 -18.242
  232   1HG2  VAL  25          1HG1      VAL  25  -1.188  -0.015 -14.990
  233   2HG2  VAL  25          2HG1      VAL  25  -2.184  -0.871 -16.194
  234   3HG2  VAL  25          3HG1      VAL  25  -0.496  -0.447 -16.578
  235    H    GLY  26           H        GLY  26  -1.562   4.150 -15.076
  236   1HA   GLY  26          2HA       GLY  26  -1.343   6.570 -16.134
  237   2HA   GLY  26          1HA       GLY  26  -2.231   5.891 -17.512
  238    H    LYS  27           H        LYS  27  -2.477   7.528 -14.626
  239    HA   LYS  27           HA       LYS  27  -4.628   8.579 -14.037
  240   1HB   LYS  27          1HB       LYS  27  -5.455   7.035 -16.079
  241   2HB   LYS  27          2HB       LYS  27  -6.107   6.019 -14.791
  242   1HG   LYS  27          1HG       LYS  27  -6.636   9.046 -15.130
  243   2HG   LYS  27          2HG       LYS  27  -7.712   7.775 -15.717
  244   1HD   LYS  27          2HD       LYS  27  -8.030   6.940 -13.359
  245   2HD   LYS  27          1HD       LYS  27  -6.947   8.209 -12.764
  246   1HE   LYS  27          1HE       LYS  27  -9.290   8.944 -12.499
  247   2HE   LYS  27          2HE       LYS  27  -8.484   9.974 -13.698
  248   1HZ   LYS  27          1HZ       LYS  27  -9.477   8.594 -15.457
  249   2HZ   LYS  27          2HZ       LYS  27 -10.223   7.634 -14.338
  250   3HZ   LYS  27          3HZ       LYS  27 -10.654   9.222 -14.483
  251    H    MET  28           H        MET  28  -4.247   5.065 -13.597
  252    HA   MET  28           HA       MET  28  -4.432   5.626 -10.604
  253   1HB   MET  28          1HB       MET  28  -5.705   3.208 -12.033
  254   2HB   MET  28          2HB       MET  28  -5.717   3.509 -10.290
  255   1HG   MET  28          2HG       MET  28  -6.995   5.676 -10.693
  256   2HG   MET  28          1HG       MET  28  -7.025   5.310 -12.433
  257   1HE   MET  28          1HE       MET  28  -9.644   5.493 -12.422
  258   2HE   MET  28          2HE       MET  28 -10.712   4.585 -11.310
  259   3HE   MET  28          3HE       MET  28  -9.616   5.848 -10.668
  260    H    ILE  29           H        ILE  29  -3.669   3.652  -9.375
  261    HA   ILE  29           HA       ILE  29  -1.235   2.575 -10.886
  262    HB   ILE  29           HB       ILE  29  -1.576   3.004  -7.858
  263   1HG1  ILE  29          1HG1      ILE  29  -1.479   5.185  -8.987
  264   2HG1  ILE  29          2HG1      ILE  29   0.012   4.879  -8.101
  265   1HG2  ILE  29          1HG2      ILE  29   0.910   2.575  -7.818
  266   2HG2  ILE  29          2HG2      ILE  29  -0.008   1.162  -8.394
  267   3HG2  ILE  29          3HG2      ILE  29   0.865   2.188  -9.559
  268   1HD1  ILE  29          1HD1      ILE  29   0.507   5.859 -10.340
  269   2HD1  ILE  29          2HD1      ILE  29   1.172   4.212 -10.255
  270   3HD1  ILE  29          3HD1      ILE  29  -0.339   4.523 -11.156
  271    H    SER  30           H        SER  30  -1.500   0.574 -11.418
  272    HA   SER  30           HA       SER  30  -3.444  -1.130  -9.907
  273   1HB   SER  30          2HB       SER  30  -3.192  -1.357 -12.399
  274   2HB   SER  30          1HB       SER  30  -1.498  -1.845 -12.192
  275    HG   SER  30           HG       SER  30  -2.923  -3.610 -12.368
  276    H    PHE  31           H        PHE  31  -2.890  -3.088  -8.879
  277    HA   PHE  31           HA       PHE  31  -0.034  -3.658  -8.338
  278   1HB   PHE  31          2HB       PHE  31  -0.003  -3.134  -5.933
  279   2HB   PHE  31          1HB       PHE  31  -0.341  -1.672  -6.861
  280    HD1  PHE  31           HD1      PHE  31  -1.624  -4.031  -4.457
  281    HD2  PHE  31           HD2      PHE  31  -2.650  -0.787  -6.909
  282    HE1  PHE  31           HE1      PHE  31  -3.614  -3.663  -3.141
  283    HE2  PHE  31           HE2      PHE  31  -4.641  -0.424  -5.595
  284    HZ   PHE  31           HZ       PHE  31  -5.134  -1.863  -3.708
  285    H    THR  32           H        THR  32   0.277  -5.456  -6.940
  286    HA   THR  32           HA       THR  32  -2.268  -7.149  -6.796
  287    HB   THR  32           HB       THR  32  -0.836  -9.132  -7.324
  288    HG1  THR  32           HG1      THR  32   1.269  -8.691  -8.052
  289   1HG2  THR  32          1HG2      THR  32  -1.982  -7.887  -9.199
  290   2HG2  THR  32          2HG2      THR  32  -0.431  -8.587  -9.733
  291   3HG2  THR  32          3HG2      THR  32  -0.548  -6.843  -9.383
  292    H    TYR  33           H        TYR  33  -2.561  -6.602  -4.658
  293    HA   TYR  33           HA       TYR  33  -0.370  -7.174  -2.706
  294   1HB   TYR  33          2HB       TYR  33  -2.002  -6.666  -0.954
  295   2HB   TYR  33          1HB       TYR  33  -2.134  -5.441  -2.217
  296    HD1  TYR  33           HD1      TYR  33  -3.811  -8.025  -0.420
  297    HD2  TYR  33           HD2      TYR  33  -4.009  -5.708  -3.910
  298    HE1  TYR  33           HE1      TYR  33  -6.159  -8.546  -0.635
  299    HE2  TYR  33           HE2      TYR  33  -6.354  -6.231  -4.124
  300    HH   TYR  33           HH       TYR  33  -7.978  -8.286  -1.788
  301    H    ASP  34           H        ASP  34  -0.021  -9.019  -1.659
  302    HA   ASP  34           HA       ASP  34  -1.487 -11.383  -2.763
  303   1HB   ASP  34          2HB       ASP  34   1.002 -11.436  -2.421
  304   2HB   ASP  34          1HB       ASP  34   0.778 -11.215  -0.678
  305    H    GLU  35           H        GLU  35  -3.199 -12.203  -1.939
  306    HA   GLU  35           HA       GLU  35  -3.455 -12.585   0.989
  307   1HB   GLU  35          2HB       GLU  35  -4.091 -10.152   0.741
  308   2HB   GLU  35          1HB       GLU  35  -5.363 -10.602  -0.404
  309   1HG   GLU  35          1HG       GLU  35  -6.469 -12.015   1.371
  310   2HG   GLU  35          2HG       GLU  35  -5.173 -11.607   2.509
  311    HE2  GLU  35           HE2      GLU  35  -8.310  -9.322   2.218
  312    H    GLY  36           H        GLY  36  -3.516 -14.672  -0.038
  313   1HA   GLY  36          2HA       GLY  36  -6.278 -15.641  -0.292
  314   2HA   GLY  36          1HA       GLY  36  -5.595 -15.445  -1.918
  315    H    GLY  37           H        GLY  37  -2.944 -16.118  -1.444
  316   1HA   GLY  37          2HA       GLY  37  -1.556 -18.101  -1.190
  317   2HA   GLY  37          1HA       GLY  37  -2.755 -18.717  -0.031
  318    H    GLY  38           H        GLY  38  -3.289 -17.650  -3.356
  319   1HA   GLY  38          1HA       GLY  38  -3.244 -19.934  -4.933
  320   2HA   GLY  38          2HA       GLY  38  -4.625 -20.313  -3.876
  321    H    LYS  39           H        LYS  39  -4.963 -17.253  -3.709
  322    HA   LYS  39           HA       LYS  39  -5.872 -16.634  -6.498
  323   1HB   LYS  39          1HB       LYS  39  -7.755 -18.010  -5.525
  324   2HB   LYS  39          2HB       LYS  39  -7.901 -16.856  -4.191
  325   1HG   LYS  39          2HG       LYS  39  -8.442 -15.016  -5.815
  326   2HG   LYS  39          1HG       LYS  39  -8.149 -16.112  -7.166
  327   1HD   LYS  39          2HD       LYS  39 -10.514 -15.995  -6.920
  328   2HD   LYS  39          1HD       LYS  39 -10.064 -17.595  -6.331
  329   1HE   LYS  39          2HE       LYS  39 -10.454 -15.168  -4.461
  330   2HE   LYS  39          1HE       LYS  39 -11.786 -16.229  -4.939
  331   1HZ   LYS  39          1HZ       LYS  39 -10.819 -16.948  -2.851
  332   2HZ   LYS  39          2HZ       LYS  39 -10.580 -18.117  -3.994
  333   3HZ   LYS  39          3HZ       LYS  39  -9.327 -17.142  -3.533
  334    H    THR  40           H        THR  40  -4.171 -15.146  -5.951
  335    HA   THR  40           HA       THR  40  -4.477 -13.212  -3.800
  336    HB   THR  40           HB       THR  40  -2.336 -13.580  -5.034
  337    HG1  THR  40           HG1      THR  40  -3.370 -10.944  -5.229
  338   1HG2  THR  40          1HG2      THR  40  -2.003 -12.510  -7.272
  339   2HG2  THR  40          2HG2      THR  40  -3.281 -13.746  -7.374
  340   3HG2  THR  40          3HG2      THR  40  -3.713 -12.016  -7.321
  341    H    GLY  41           H        GLY  41  -4.931 -10.943  -3.999
  342   1HA   GLY  41          1HA       GLY  41  -7.334 -10.590  -5.853
  343   2HA   GLY  41          2HA       GLY  41  -7.127  -9.728  -4.319
  344    H    ARG  42           H        ARG  42  -7.338  -9.089  -7.348
  345    HA   ARG  42           HA       ARG  42  -4.932  -7.207  -7.418
  346   1HB   ARG  42          2HB       ARG  42  -6.887  -7.983  -9.674
  347   2HB   ARG  42          1HB       ARG  42  -5.476  -6.930  -9.852
  348   1HG   ARG  42          1HG       ARG  42  -3.975  -8.830  -9.116
  349   2HG   ARG  42          2HG       ARG  42  -5.392  -9.881  -8.963
  350   1HD   ARG  42          1HD       ARG  42  -5.927  -9.521 -11.407
  351   2HD   ARG  42          2HD       ARG  42  -4.514  -8.460 -11.560
  352    HE   ARG  42           HE       ARG  42  -3.583 -11.026 -10.509
  353   1HH1  ARG  42          2HH1      ARG  42  -5.055  -9.476 -13.244
  354   2HH1  ARG  42          1HH1      ARG  42  -4.298 -10.655 -14.428
  355   1HH2  ARG  42          2HH2      ARG  42  -2.693 -12.415 -11.908
  356   2HH2  ARG  42          1HH2      ARG  42  -3.021 -12.244 -13.706
  357    H    GLY  43           H        GLY  43  -5.224  -5.053  -7.540
  358   1HA   GLY  43          2HA       GLY  43  -8.034  -3.986  -7.816
  359   2HA   GLY  43          1HA       GLY  43  -7.308  -3.758  -6.211
  360    H    ALA  44           H        ALA  44  -7.731  -1.482  -6.928
  361    HA   ALA  44           HA       ALA  44  -5.117  -0.375  -7.846
  362   1HB   ALA  44          1HB       ALA  44  -7.646   0.090  -9.564
  363   2HB   ALA  44          2HB       ALA  44  -6.224  -0.871 -10.052
  364   3HB   ALA  44          3HB       ALA  44  -6.069   0.889  -9.809
  365    H    VAL  45           H        VAL  45  -5.057   1.949  -7.715
  366    HA   VAL  45           HA       VAL  45  -7.387   3.321  -6.486
  367    HB   VAL  45           HB       VAL  45  -6.546   2.005  -4.549
  368   1HG1  VAL  45          1HG1      VAL  45  -3.920   3.583  -4.937
  369   2HG1  VAL  45          2HG1      VAL  45  -4.130   1.836  -5.232
  370   3HG1  VAL  45          3HG1      VAL  45  -4.295   2.489  -3.582
  371   1HG2  VAL  45          1HG2      VAL  45  -5.949   5.023  -4.309
  372   2HG2  VAL  45          2HG2      VAL  45  -7.561   4.270  -4.170
  373   3HG2  VAL  45          3HG2      VAL  45  -6.302   3.914  -2.958
  374    H    SER  46           H        SER  46  -7.249   5.443  -6.773
  375    HA   SER  46           HA       SER  46  -5.078   6.408  -8.507
  376   1HB   SER  46          2HB       SER  46  -6.155   8.656  -8.247
  377   2HB   SER  46          1HB       SER  46  -7.372   7.406  -8.576
  378    HG   SER  46           HG       SER  46  -7.716   7.271  -6.314
  379    H    GLU  47           H        GLU  47  -3.453   7.848  -8.070
  380    HA   GLU  47           HA       GLU  47  -2.568   7.699  -5.178
  381   1HB   GLU  47          2HB       GLU  47  -0.324   8.159  -5.929
  382   2HB   GLU  47          1HB       GLU  47  -0.983   6.895  -6.967
  383   1HG   GLU  47          1HG       GLU  47  -0.858   9.896  -7.700
  384   2HG   GLU  47          2HG       GLU  47   0.318   8.683  -8.202
  385    H    LYS  48           H        LYS  48  -4.565   9.589  -6.440
  386    HA   LYS  48           HA       LYS  48  -3.179  12.218  -6.174
  387   1HB   LYS  48          2HB       LYS  48  -5.136  11.901  -7.709
  388   2HB   LYS  48          1HB       LYS  48  -6.178  11.524  -6.330
  389   1HG   LYS  48          2HG       LYS  48  -5.799  13.817  -5.381
  390   2HG   LYS  48          1HG       LYS  48  -4.631  14.170  -6.659
  391   1HD   LYS  48          2HD       LYS  48  -6.763  15.200  -7.261
  392   2HD   LYS  48          1HD       LYS  48  -6.421  13.895  -8.403
  393   1HE   LYS  48          1HE       LYS  48  -8.805  13.841  -7.689
  394   2HE   LYS  48          2HE       LYS  48  -7.984  12.367  -7.153
  395   1HZ   LYS  48          1HZ       LYS  48  -8.464  14.779  -5.460
  396   2HZ   LYS  48          2HZ       LYS  48  -7.696  13.406  -4.954
  397   3HZ   LYS  48          3HZ       LYS  48  -9.295  13.354  -5.366
  398    H    ASP  49           H        ASP  49  -4.871   9.982  -4.152
  399    HA   ASP  49           HA       ASP  49  -4.288  11.858  -1.844
  400   1HB   ASP  49          2HB       ASP  49  -6.703  12.208  -2.494
  401   2HB   ASP  49          1HB       ASP  49  -7.010  10.475  -2.284
  402    H    ALA  50           H        ALA  50  -2.587  10.129  -2.063
  403    HA   ALA  50           HA       ALA  50  -3.554   7.616  -0.638
  404   1HB   ALA  50          1HB       ALA  50  -0.962   8.129  -2.254
  405   2HB   ALA  50          2HB       ALA  50  -1.414   6.571  -1.512
  406   3HB   ALA  50          3HB       ALA  50  -2.393   7.242  -2.843
  407    HA   PRO  51           HA       PRO  51  -1.475   8.768   3.108
  408   1HB   PRO  51          1HB       PRO  51   0.054   6.141   2.767
  409   2HB   PRO  51          2HB       PRO  51  -0.746   6.753   4.241
  410   1HG   PRO  51          2HG       PRO  51  -2.004   4.854   2.779
  411   2HG   PRO  51          1HG       PRO  51  -2.949   6.262   3.338
  412   1HD   PRO  51          1HD       PRO  51  -1.815   5.766   0.539
  413   2HD   PRO  51          2HD       PRO  51  -3.406   6.457   1.018
  414    H    LYS  52           H        LYS  52   0.576   9.401   3.952
  415    HA   LYS  52           HA       LYS  52   2.218  10.534   1.822
  416   1HB   LYS  52          2HB       LYS  52   2.901  10.263   4.814
  417   2HB   LYS  52          1HB       LYS  52   3.687  11.362   3.673
  418   1HG   LYS  52          2HG       LYS  52   1.463  12.490   3.238
  419   2HG   LYS  52          1HG       LYS  52   0.689  11.398   4.399
  420   1HD   LYS  52          1HD       LYS  52   2.247  12.221   6.209
  421   2HD   LYS  52          2HD       LYS  52   3.003  13.330   5.056
  422   1HE   LYS  52          2HE       LYS  52   0.018  13.348   5.851
  423   2HE   LYS  52          1HE       LYS  52   1.249  14.474   6.456
  424   1HZ   LYS  52          1HZ       LYS  52   1.621  15.212   4.157
  425   2HZ   LYS  52          2HZ       LYS  52   0.474  14.167   3.592
  426   3HZ   LYS  52          3HZ       LYS  52   0.038  15.417   4.580
  427    H    GLU  53           H        GLU  53   2.532   7.653   3.779
  428    HA   GLU  53           HA       GLU  53   5.351   7.211   3.312
  429   1HB   GLU  53          2HB       GLU  53   3.130   5.086   3.536
  430   2HB   GLU  53          1HB       GLU  53   4.860   4.783   3.745
  431   1HG   GLU  53          2HG       GLU  53   3.152   6.671   5.492
  432   2HG   GLU  53          1HG       GLU  53   3.700   5.052   5.949
  433    H    LEU  54           H        LEU  54   2.519   6.379   1.352
  434    HA   LEU  54           HA       LEU  54   4.269   4.983  -0.625
  435   1HB   LEU  54          2HB       LEU  54   1.349   5.930  -0.857
  436   2HB   LEU  54          1HB       LEU  54   2.170   4.916  -2.049
  437    HG   LEU  54           HG       LEU  54   1.761   4.138   0.905
  438   1HD1  LEU  54          1HD1      LEU  54  -0.390   4.282  -0.376
  439   2HD1  LEU  54          2HD1      LEU  54   0.293   3.243  -1.655
  440   3HD1  LEU  54          3HD1      LEU  54   0.027   2.585  -0.019
  441   1HD2  LEU  54          1HD2      LEU  54   3.747   3.006  -0.130
  442   2HD2  LEU  54          2HD2      LEU  54   2.410   1.846   0.069
  443   3HD2  LEU  54          3HD2      LEU  54   2.759   2.533  -1.539
  444    H    LEU  55           H        LEU  55   3.127   8.211  -0.068
  445    HA   LEU  55           HA       LEU  55   3.664   9.044  -2.880
  446   1HB   LEU  55          1HB       LEU  55   3.356  10.717  -0.313
  447   2HB   LEU  55          2HB       LEU  55   3.466  11.401  -1.938
  448    HG   LEU  55           HG       LEU  55   1.293   9.408  -1.055
  449   1HD1  LEU  55          1HD1      LEU  55  -0.195  11.427  -1.016
  450   2HD1  LEU  55          2HD1      LEU  55   1.133  11.599   0.162
  451   3HD1  LEU  55          3HD1      LEU  55   1.199  12.474  -1.391
  452   1HD2  LEU  55          1HD2      LEU  55   0.154  10.198  -3.164
  453   2HD2  LEU  55          2HD2      LEU  55   1.700   9.395  -3.530
  454   3HD2  LEU  55          3HD2      LEU  55   1.589  11.175  -3.572
  455    H    GLN  56           H        GLN  56   5.445   8.809   0.113
  456    HA   GLN  56           HA       GLN  56   7.703  10.422  -1.019
  457   1HB   GLN  56          1HB       GLN  56   7.534   8.651   1.494
  458   2HB   GLN  56          2HB       GLN  56   8.941   9.630   1.055
  459   1HG   GLN  56          2HG       GLN  56   7.524  11.711   1.081
  460   2HG   GLN  56          1HG       GLN  56   6.103  10.749   1.521
  461   1HE2  GLN  56          1HE2      GLN  56   5.861  11.819   3.444
  462   2HE2  GLN  56          2HE2      GLN  56   6.987  11.539   4.867
  463    H    MET  57           H        MET  57   6.550   7.252  -1.281
  464    HA   MET  57           HA       MET  57   9.268   6.070  -1.751
  465   1HB   MET  57          2HB       MET  57   7.372   4.680  -0.857
  466   2HB   MET  57          1HB       MET  57   6.454   4.960  -2.339
  467   1HG   MET  57          2HG       MET  57   7.636   2.744  -2.420
  468   2HG   MET  57          1HG       MET  57   8.223   3.820  -3.702
  469   1HE   MET  57          1HE       MET  57   8.893   2.030  -0.336
  470   2HE   MET  57          2HE       MET  57  10.440   2.724   0.240
  471   3HE   MET  57          3HE       MET  57   8.951   3.715   0.268
  472    H    LEU  58           H        LEU  58   6.741   7.668  -3.482
  473    HA   LEU  58           HA       LEU  58   8.345   7.161  -6.039
  474   1HB   LEU  58          2HB       LEU  58   5.327   7.731  -5.783
  475   2HB   LEU  58          1HB       LEU  58   6.195   7.487  -7.302
  476    HG   LEU  58           HG       LEU  58   5.965   5.393  -5.053
  477   1HD1  LEU  58          1HD2      LEU  58   3.780   5.876  -6.187
  478   2HD1  LEU  58          2HD2      LEU  58   4.387   4.258  -6.635
  479   3HD1  LEU  58          3HD2      LEU  58   4.541   5.618  -7.781
  480   1HD2  LEU  58          1HD1      LEU  58   7.075   5.206  -7.931
  481   2HD2  LEU  58          2HD1      LEU  58   8.037   5.083  -6.432
  482   3HD2  LEU  58          3HD1      LEU  58   6.841   3.824  -6.828
  483    H    GLU  59           H        GLU  59   9.100   9.099  -4.332
  484    HA   GLU  59           HA       GLU  59   8.578  11.473  -6.093
  485   1HB   GLU  59          1HB       GLU  59   6.771  11.537  -4.315
  486   2HB   GLU  59          2HB       GLU  59   8.018  11.583  -3.061
  487   1HG   GLU  59          2HG       GLU  59   8.902  13.744  -4.012
  488   2HG   GLU  59          1HG       GLU  59   7.696  13.676  -5.309
  489    H    LYS  60           H        LYS  60  10.790  10.472  -6.345
  490    HA   LYS  60           HA       LYS  60  12.689  11.250  -4.152
  491   1HB   LYS  60          2HB       LYS  60  12.833   9.175  -5.726
  492   2HB   LYS  60          1HB       LYS  60  13.432  10.267  -6.972
  493   1HG   LYS  60          1HG       LYS  60  14.693   9.936  -4.169
  494   2HG   LYS  60          2HG       LYS  60  15.205   9.032  -5.594
  495   1HD   LYS  60          2HD       LYS  60  15.748  11.210  -6.774
  496   2HD   LYS  60          1HD       LYS  60  15.335  12.091  -5.293
  497   1HE   LYS  60          1HE       LYS  60  17.080  10.780  -4.022
  498   2HE   LYS  60          2HE       LYS  60  17.500   9.904  -5.507
  499   1HZ   LYS  60          1HZ       LYS  60  18.960  11.812  -5.159
  500   2HZ   LYS  60          2HZ       LYS  60  18.077  12.045  -6.536
  501   3HZ   LYS  60          3HZ       LYS  60  17.685  12.862  -5.154
  502    H    GLN  61           H        GLN  61  13.050  13.315  -3.937
  503    HA   GLN  61           HA       GLN  61  13.342  14.956  -6.502
  504   1HB   GLN  61          1HB       GLN  61  12.630  15.899  -3.656
  505   2HB   GLN  61          2HB       GLN  61  12.786  16.951  -5.069
  506   1HG   GLN  61          2HG       GLN  61  10.754  14.644  -4.782
  507   2HG   GLN  61          1HG       GLN  61  10.389  16.365  -4.597
  508   1HE2  GLN  61          1HE2      GLN  61   9.447  14.334  -6.502
  509   2HE2  GLN  61          2HE2      GLN  61   9.781  15.048  -8.160
  510    H    LYS  62           H        LYS  62  14.766  16.928  -6.100
  511    HA   LYS  62           HA       LYS  62  16.972  16.464  -4.145
  512   1HB   LYS  62          2HB       LYS  62  17.507  14.810  -5.962
  513   2HB   LYS  62          1HB       LYS  62  17.496  16.111  -7.161
  514   1HG   LYS  62          2HG       LYS  62  19.824  15.594  -6.435
  515   2HG   LYS  62          1HG       LYS  62  19.390  17.250  -5.993
  516   1HD   LYS  62          1HD       LYS  62  18.820  16.482  -3.657
  517   2HD   LYS  62          2HD       LYS  62  19.216  14.816  -4.105
  518   1HE   LYS  62          1HE       LYS  62  21.152  15.843  -2.949
  519   2HE   LYS  62          2HE       LYS  62  21.583  15.508  -4.637
  520   1HZ   LYS  62          1HZ       LYS  62  21.082  17.846  -5.160
  521   2HZ   LYS  62          2HZ       LYS  62  20.686  18.155  -3.587
  522   3HZ   LYS  62          3HZ       LYS  62  22.238  17.750  -3.984
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1   1.408   1.925  10.076
    2   2H    ALA   1          2H        ALA   1   0.160   0.846   9.991
    3   3H    ALA   1          3H        ALA   1   1.452   0.696   8.972
    4    HA   ALA   1           HA       ALA   1  -0.503   2.946   8.974
    5   1HB   ALA   1          1HB       ALA   1   1.879   2.314   7.105
    6   2HB   ALA   1          2HB       ALA   1   0.728   3.662   6.894
    7   3HB   ALA   1          3HB       ALA   1   1.825   3.637   8.301
    8    H    THR   2           H        THR   2  -2.329   2.293   8.202
    9    HA   THR   2           HA       THR   2  -2.248   0.187   5.988
   10    HB   THR   2           HB       THR   2  -4.431  -0.693   6.900
   11    HG1  THR   2           HG1      THR   2  -4.986   1.192   8.015
   12   1HG2  THR   2          1HG2      THR   2  -2.111  -0.701   8.942
   13   2HG2  THR   2          2HG2      THR   2  -3.443  -1.883   8.870
   14   3HG2  THR   2          3HG2      THR   2  -2.256  -1.797   7.542
   15    H    VAL   3           H        VAL   3  -4.329   0.183   4.761
   16    HA   VAL   3           HA       VAL   3  -5.660   2.891   4.783
   17    HB   VAL   3           HB       VAL   3  -3.733   3.148   3.244
   18   1HG1  VAL   3          1HG1      VAL   3  -5.041   0.891   1.594
   19   2HG1  VAL   3          2HG1      VAL   3  -3.505   0.754   2.494
   20   3HG1  VAL   3          3HG1      VAL   3  -3.634   1.866   1.108
   21   1HG2  VAL   3          1HG2      VAL   3  -6.445   3.021   1.777
   22   2HG2  VAL   3          2HG2      VAL   3  -5.027   3.978   1.277
   23   3HG2  VAL   3          3HG2      VAL   3  -5.879   4.375   2.793
   24    H    LYS   4           H        LYS   4  -7.724   2.724   4.503
   25    HA   LYS   4           HA       LYS   4  -8.791  -0.015   4.040
   26   1HB   LYS   4          2HB       LYS   4  -9.690   1.733   5.713
   27   2HB   LYS   4          1HB       LYS   4 -10.411   2.580   4.336
   28   1HG   LYS   4          2HG       LYS   4 -11.608   0.428   3.692
   29   2HG   LYS   4          1HG       LYS   4 -10.926  -0.369   5.114
   30   1HD   LYS   4          2HD       LYS   4 -12.729   2.137   5.182
   31   2HD   LYS   4          1HD       LYS   4 -13.287   0.485   5.463
   32   1HE   LYS   4          2HE       LYS   4 -11.701   0.293   7.438
   33   2HE   LYS   4          1HE       LYS   4 -11.209   1.980   7.190
   34   1HZ   LYS   4          1HZ       LYS   4 -13.540   2.642   7.488
   35   2HZ   LYS   4          2HZ       LYS   4 -13.999   1.072   7.723
   36   3HZ   LYS   4          3HZ       LYS   4 -12.999   1.812   8.810
   37    H    PHE   5           H        PHE   5 -10.858  -0.129   2.661
   38    HA   PHE   5           HA       PHE   5 -10.824   1.557   0.211
   39   1HB   PHE   5          2HB       PHE   5  -8.818   0.119  -0.206
   40   2HB   PHE   5          1HB       PHE   5  -9.776  -1.340   0.082
   41    HD1  PHE   5           HD1      PHE   5 -10.095   1.768  -1.950
   42    HD2  PHE   5           HD2      PHE   5 -10.493  -2.402  -1.795
   43    HE1  PHE   5           HE1      PHE   5 -10.780   1.747  -4.270
   44    HE2  PHE   5           HE2      PHE   5 -11.178  -2.423  -4.116
   45    HZ   PHE   5           HZ       PHE   5 -11.322  -0.348  -5.354
   46    H    LYS   6           H        LYS   6 -12.978   1.729   0.871
   47    HA   LYS   6           HA       LYS   6 -14.632  -0.747   1.033
   48   1HB   LYS   6          1HB       LYS   6 -15.516   2.194   0.753
   49   2HB   LYS   6          2HB       LYS   6 -16.573   0.839   1.172
   50   1HG   LYS   6          1HG       LYS   6 -15.169   0.392   3.232
   51   2HG   LYS   6          2HG       LYS   6 -14.139   1.773   2.819
   52   1HD   LYS   6          2HD       LYS   6 -16.150   3.298   2.913
   53   2HD   LYS   6          1HD       LYS   6 -17.179   1.916   3.321
   54   1HE   LYS   6          1HE       LYS   6 -15.792   1.503   5.399
   55   2HE   LYS   6          2HE       LYS   6 -14.779   2.904   4.993
   56   1HZ   LYS   6          1HZ       LYS   6 -16.555   3.508   6.532
   57   2HZ   LYS   6          2HZ       LYS   6 -16.779   4.304   5.101
   58   3HZ   LYS   6          3HZ       LYS   6 -17.723   3.001   5.478
   59    H    TYR   7           H        TYR   7 -15.622  -1.751  -0.516
   60    HA   TYR   7           HA       TYR   7 -15.324  -0.644  -3.307
   61   1HB   TYR   7          2HB       TYR   7 -14.870  -3.070  -2.852
   62   2HB   TYR   7          1HB       TYR   7 -16.532  -3.299  -2.306
   63    HD1  TYR   7           HD1      TYR   7 -14.904  -1.623  -5.226
   64    HD2  TYR   7           HD2      TYR   7 -17.828  -4.315  -3.885
   65    HE1  TYR   7           HE1      TYR   7 -15.579  -2.029  -7.508
   66    HE2  TYR   7           HE2      TYR   7 -18.495  -4.726  -6.171
   67    HH   TYR   7           HH       TYR   7 -16.902  -3.104  -8.844
   68    H    LYS   8           H        LYS   8 -18.080  -2.402  -1.952
   69    HA   LYS   8           HA       LYS   8 -19.767   0.035  -2.707
   70   1HB   LYS   8          2HB       LYS   8 -20.601  -2.930  -2.685
   71   2HB   LYS   8          1HB       LYS   8 -21.683  -1.567  -3.021
   72   1HG   LYS   8          2HG       LYS   8 -20.245  -0.891  -4.976
   73   2HG   LYS   8          1HG       LYS   8 -19.118  -2.198  -4.607
   74   1HD   LYS   8          1HD       LYS   8 -20.589  -2.935  -6.421
   75   2HD   LYS   8          2HD       LYS   8 -20.935  -3.903  -4.985
   76   1HE   LYS   8          2HE       LYS   8 -23.041  -3.181  -6.115
   77   2HE   LYS   8          1HE       LYS   8 -22.951  -2.492  -4.486
   78   1HZ   LYS   8          1HZ       LYS   8 -22.190  -1.067  -6.996
   79   2HZ   LYS   8          2HZ       LYS   8 -22.103  -0.421  -5.478
   80   3HZ   LYS   8          3HZ       LYS   8 -23.571  -0.816  -6.125
   81    H    GLY   9           H        GLY   9 -20.231  -2.936  -0.812
   82   1HA   GLY   9          1HA       GLY   9 -20.798  -1.105   1.580
   83   2HA   GLY   9          2HA       GLY   9 -21.869  -2.473   1.219
   84    H    GLU  10           H        GLU  10 -18.412  -2.593   0.700
   85    HA   GLU  10           HA       GLU  10 -18.208  -4.378   3.176
   86   1HB   GLU  10          2HB       GLU  10 -16.920  -4.868   0.419
   87   2HB   GLU  10          1HB       GLU  10 -16.619  -5.836   1.869
   88   1HG   GLU  10          1HG       GLU  10 -19.076  -6.415   1.996
   89   2HG   GLU  10          2HG       GLU  10 -19.374  -5.468   0.527
   90    H    GLU  11           H        GLU  11 -15.629  -4.938   3.206
   91    HA   GLU  11           HA       GLU  11 -14.112  -2.377   2.730
   92   1HB   GLU  11          1HB       GLU  11 -13.387  -2.170   5.100
   93   2HB   GLU  11          2HB       GLU  11 -15.137  -1.986   4.943
   94   1HG   GLU  11          1HG       GLU  11 -15.452  -4.407   5.621
   95   2HG   GLU  11          2HG       GLU  11 -13.697  -4.578   5.797
   96    H    LEU  12           H        LEU  12 -12.051  -2.683   2.363
   97    HA   LEU  12           HA       LEU  12 -10.860  -5.377   3.118
   98   1HB   LEU  12          2HB       LEU  12 -10.747  -4.111   0.309
   99   2HB   LEU  12          1HB       LEU  12  -9.783  -5.502   0.808
  100    HG   LEU  12           HG       LEU  12 -12.860  -5.440   0.820
  101   1HD1  LEU  12          1HD2      LEU  12 -11.900  -5.282  -1.491
  102   2HD1  LEU  12          2HD2      LEU  12 -12.643  -6.880  -1.219
  103   3HD1  LEU  12          3HD2      LEU  12 -10.869  -6.702  -1.170
  104   1HD2  LEU  12          1HD1      LEU  12 -11.894  -7.093   2.449
  105   2HD2  LEU  12          2HD1      LEU  12 -12.602  -7.939   1.051
  106   3HD2  LEU  12          3HD1      LEU  12 -10.833  -7.747   1.171
  107    H    GLN  13           H        GLN  13  -9.075  -5.040   4.143
  108    HA   GLN  13           HA       GLN  13  -7.767  -2.327   3.850
  109   1HB   GLN  13          2HB       GLN  13  -7.167  -4.652   5.780
  110   2HB   GLN  13          1HB       GLN  13  -6.373  -3.071   5.817
  111   1HG   GLN  13          2HG       GLN  13  -8.624  -1.958   6.161
  112   2HG   GLN  13          1HG       GLN  13  -9.402  -3.550   6.173
  113   1HE2  GLN  13          2HE2      GLN  13 -10.045  -3.697   8.206
  114   2HE2  GLN  13          1HE2      GLN  13  -8.929  -3.636   9.661
  115    H    VAL  14           H        VAL  14  -5.436  -2.209   3.713
  116    HA   VAL  14           HA       VAL  14  -4.025  -4.608   2.657
  117    HB   VAL  14           HB       VAL  14  -5.284  -3.896   0.651
  118   1HG1  VAL  14          1HG1      VAL  14  -5.525  -1.450   1.194
  119   2HG1  VAL  14          2HG1      VAL  14  -4.827  -1.692  -0.427
  120   3HG1  VAL  14          3HG1      VAL  14  -3.775  -1.217   0.929
  121   1HG2  VAL  14          1HG2      VAL  14  -3.343  -3.694  -0.904
  122   2HG2  VAL  14          2HG2      VAL  14  -2.275  -3.240   0.450
  123   3HG2  VAL  14          3HG2      VAL  14  -2.988  -4.876   0.383
  124    H    ASP  15           H        ASP  15  -1.969  -4.491   3.108
  125    HA   ASP  15           HA       ASP  15  -1.025  -1.891   4.326
  126   1HB   ASP  15          2HB       ASP  15  -0.709  -4.106   5.521
  127   2HB   ASP  15          1HB       ASP  15   0.345  -4.650   4.206
  128    H    ILE  16           H        ILE  16   0.920  -0.921   3.715
  129    HA   ILE  16           HA       ILE  16   1.287  -0.816   0.805
  130    HB   ILE  16           HB       ILE  16   3.005   0.254   3.118
  131   1HG1  ILE  16          1HG1      ILE  16   2.233   2.465   1.987
  132   2HG1  ILE  16          2HG1      ILE  16   1.034   1.507   1.117
  133   1HG2  ILE  16          1HG2      ILE  16   4.199   1.577   1.328
  134   2HG2  ILE  16          2HG2      ILE  16   3.349   0.632   0.079
  135   3HG2  ILE  16          3HG2      ILE  16   4.501  -0.169   1.180
  136   1HD1  ILE  16          1HD1      ILE  16   1.295   1.661   4.203
  137   2HD1  ILE  16          2HD1      ILE  16   0.100   2.553   3.228
  138   3HD1  ILE  16          3HD1      ILE  16   0.018   0.779   3.321
  139    H    SER  17           H        SER  17   2.834  -2.549   3.426
  140    HA   SER  17           HA       SER  17   5.169  -3.320   1.824
  141   1HB   SER  17          2HB       SER  17   3.967  -4.714   4.296
  142   2HB   SER  17          1HB       SER  17   5.601  -4.977   3.656
  143    HG   SER  17           HG       SER  17   5.535  -3.445   5.336
  144    H    LYS  18           H        LYS  18   1.940  -4.589   2.123
  145    HA   LYS  18           HA       LYS  18   2.792  -7.231   0.982
  146   1HB   LYS  18          1HB       LYS  18  -0.005  -6.072   1.513
  147   2HB   LYS  18          2HB       LYS  18   0.292  -7.686   0.850
  148   1HG   LYS  18          2HG       LYS  18   1.758  -8.214   2.865
  149   2HG   LYS  18          1HG       LYS  18   1.288  -6.668   3.583
  150   1HD   LYS  18          1HD       LYS  18  -0.667  -8.906   2.742
  151   2HD   LYS  18          2HD       LYS  18  -0.089  -8.636   4.390
  152   1HE   LYS  18          2HE       LYS  18  -1.090  -6.313   4.364
  153   2HE   LYS  18          1HE       LYS  18  -1.718  -6.606   2.731
  154   1HZ   LYS  18          1HZ       LYS  18  -3.374  -7.123   4.426
  155   2HZ   LYS  18          2HZ       LYS  18  -2.966  -8.510   3.626
  156   3HZ   LYS  18          3HZ       LYS  18  -2.380  -8.229   5.145
  157    H    ILE  19           H        ILE  19   1.852  -4.145  -0.196
  158    HA   ILE  19           HA       ILE  19   0.842  -5.155  -2.799
  159    HB   ILE  19           HB       ILE  19   2.080  -2.430  -2.095
  160   1HG1  ILE  19          2HG1      ILE  19  -0.835  -3.427  -2.218
  161   2HG1  ILE  19          1HG1      ILE  19   0.051  -3.014  -0.749
  162   1HG2  ILE  19          1HG2      ILE  19   0.364  -3.342  -4.496
  163   2HG2  ILE  19          2HG2      ILE  19   2.105  -2.963  -4.561
  164   3HG2  ILE  19          3HG2      ILE  19   0.935  -1.675  -4.208
  165   1HD1  ILE  19          1HD1      ILE  19  -0.694  -1.035  -3.005
  166   2HD1  ILE  19          2HD1      ILE  19  -1.405  -1.114  -1.377
  167   3HD1  ILE  19          3HD1      ILE  19   0.294  -0.616  -1.578
  168    H    LYS  20           H        LYS  20   2.089  -6.415  -3.935
  169    HA   LYS  20           HA       LYS  20   5.071  -5.950  -3.854
  170   1HB   LYS  20          2HB       LYS  20   4.139  -8.266  -3.582
  171   2HB   LYS  20          1HB       LYS  20   3.404  -8.168  -5.190
  172   1HG   LYS  20          1HG       LYS  20   5.691  -7.826  -6.210
  173   2HG   LYS  20          2HG       LYS  20   6.421  -7.931  -4.600
  174   1HD   LYS  20          2HD       LYS  20   5.483 -10.256  -4.321
  175   2HD   LYS  20          1HD       LYS  20   4.721 -10.144  -5.915
  176   1HE   LYS  20          2HE       LYS  20   6.856 -11.380  -6.114
  177   2HE   LYS  20          1HE       LYS  20   6.987  -9.839  -6.986
  178   1HZ   LYS  20          1HZ       LYS  20   8.104  -8.899  -5.022
  179   2HZ   LYS  20          2HZ       LYS  20   7.981 -10.337  -4.215
  180   3HZ   LYS  20          3HZ       LYS  20   8.919 -10.228  -5.570
  181    H    LYS  21           H        LYS  21   3.399  -7.268  -6.624
  182    HA   LYS  21           HA       LYS  21   5.007  -5.582  -8.405
  183   1HB   LYS  21          1HB       LYS  21   2.445  -7.173  -9.030
  184   2HB   LYS  21          2HB       LYS  21   3.574  -6.529 -10.233
  185   1HG   LYS  21          2HG       LYS  21   5.432  -7.918  -9.240
  186   2HG   LYS  21          1HG       LYS  21   4.328  -8.512  -7.997
  187   1HD   LYS  21          2HD       LYS  21   4.495 -10.209  -9.747
  188   2HD   LYS  21          1HD       LYS  21   2.859  -9.544  -9.761
  189   1HE   LYS  21          2HE       LYS  21   3.747  -9.778 -12.079
  190   2HE   LYS  21          1HE       LYS  21   3.451  -8.072 -11.713
  191   1HZ   LYS  21          1HZ       LYS  21   5.631  -8.397 -12.723
  192   2HZ   LYS  21          2HZ       LYS  21   6.100  -9.435 -11.527
  193   3HZ   LYS  21          3HZ       LYS  21   5.831  -7.842 -11.180
  194    H    VAL  22           H        VAL  22   4.506  -3.823  -9.573
  195    HA   VAL  22           HA       VAL  22   1.734  -2.698  -9.388
  196    HB   VAL  22           HB       VAL  22   2.775  -1.951  -7.263
  197   1HG1  VAL  22          1HG2      VAL  22   4.882  -0.569  -9.047
  198   2HG1  VAL  22          2HG2      VAL  22   4.734  -0.399  -7.282
  199   3HG1  VAL  22          3HG2      VAL  22   5.186  -1.971  -7.985
  200   1HG2  VAL  22          1HG1      VAL  22   2.386   0.500  -7.529
  201   2HG2  VAL  22          2HG1      VAL  22   2.504   0.350  -9.301
  202   3HG2  VAL  22          3HG1      VAL  22   1.153  -0.426  -8.427
  203    H    TRP  23           H        TRP  23   1.248  -1.514 -11.083
  204    HA   TRP  23           HA       TRP  23   3.518  -0.431 -12.768
  205   1HB   TRP  23          1HB       TRP  23   2.682  -1.530 -14.825
  206   2HB   TRP  23          2HB       TRP  23   3.114  -2.747 -13.619
  207    HD1  TRP  23           HD1      TRP  23   0.049  -1.273 -15.476
  208    HE1  TRP  23           HE1      TRP  23  -2.063  -2.817 -15.092
  209    HE3  TRP  23           HE3      TRP  23   2.087  -4.147 -11.983
  210    HZ2  TRP  23           HZ2      TRP  23  -2.536  -4.936 -13.399
  211    HZ3  TRP  23           HZ3      TRP  23   0.772  -5.945 -10.989
  212    HH2  TRP  23           HH2      TRP  23  -1.506  -6.334 -11.694
  213    H    ARG  24           H        ARG  24   2.626   0.837 -14.635
  214    HA   ARG  24           HA       ARG  24  -0.104   1.983 -13.955
  215   1HB   ARG  24          2HB       ARG  24   1.638   3.233 -12.628
  216   2HB   ARG  24          1HB       ARG  24   2.489   3.634 -14.126
  217   1HG   ARG  24          2HG       ARG  24   0.435   4.848 -14.970
  218   2HG   ARG  24          1HG       ARG  24  -0.433   4.406 -13.493
  219   1HD   ARG  24          1HD       ARG  24   0.436   6.721 -13.304
  220   2HD   ARG  24          2HD       ARG  24   1.241   5.686 -12.111
  221    HE   ARG  24           HE       ARG  24   2.881   5.701 -14.532
  222   1HH1  ARG  24          1HH1      ARG  24   1.640   7.683 -11.965
  223   2HH1  ARG  24          2HH1      ARG  24   3.099   8.795 -12.000
  224   1HH2  ARG  24          1HH2      ARG  24   4.603   7.018 -14.568
  225   2HH2  ARG  24          2HH2      ARG  24   4.702   8.435 -13.407
  226    H    VAL  25           H        VAL  25  -0.707   1.055 -15.918
  227    HA   VAL  25           HA       VAL  25   0.130   2.864 -18.226
  228    HB   VAL  25           HB       VAL  25  -0.483  -0.146 -18.440
  229   1HG1  VAL  25          1HG1      VAL  25   0.268   1.948 -20.587
  230   2HG1  VAL  25          2HG1      VAL  25  -1.321   1.151 -20.424
  231   3HG1  VAL  25          3HG1      VAL  25   0.115   0.194 -20.867
  232   1HG2  VAL  25          1HG2      VAL  25   1.811   0.314 -17.539
  233   2HG2  VAL  25          2HG2      VAL  25   1.905  -0.300 -19.211
  234   3HG2  VAL  25          3HG2      VAL  25   2.126   1.440 -18.886
  235    H    GLY  26           H        GLY  26  -1.654   4.082 -17.497
  236   1HA   GLY  26          2HA       GLY  26  -4.059   3.780 -18.963
  237   2HA   GLY  26          1HA       GLY  26  -4.351   2.780 -17.525
  238    H    LYS  27           H        LYS  27  -5.918   4.065 -16.676
  239    HA   LYS  27           HA       LYS  27  -5.260   6.967 -16.217
  240   1HB   LYS  27          2HB       LYS  27  -7.529   6.047 -16.995
  241   2HB   LYS  27          1HB       LYS  27  -7.797   5.435 -15.367
  242   1HG   LYS  27          2HG       LYS  27  -7.172   8.391 -16.019
  243   2HG   LYS  27          1HG       LYS  27  -8.808   7.735 -15.951
  244   1HD   LYS  27          2HD       LYS  27  -8.418   7.009 -13.554
  245   2HD   LYS  27          1HD       LYS  27  -6.825   7.785 -13.601
  246   1HE   LYS  27          1HE       LYS  27  -7.909   9.989 -14.179
  247   2HE   LYS  27          2HE       LYS  27  -9.505   9.217 -14.132
  248   1HZ   LYS  27          1HZ       LYS  27  -7.597   9.353 -11.841
  249   2HZ   LYS  27          2HZ       LYS  27  -9.081   8.629 -11.795
  250   3HZ   LYS  27          3HZ       LYS  27  -8.965  10.264 -12.010
  251    H    MET  28           H        MET  28  -6.648   4.427 -14.118
  252    HA   MET  28           HA       MET  28  -5.216   5.754 -11.817
  253   1HB   MET  28          1HB       MET  28  -7.059   3.285 -11.814
  254   2HB   MET  28          2HB       MET  28  -6.497   4.165 -10.386
  255   1HG   MET  28          2HG       MET  28  -7.675   6.257 -11.232
  256   2HG   MET  28          1HG       MET  28  -8.270   5.336 -12.632
  257   1HE   MET  28          1HE       MET  28 -11.526   5.630 -10.536
  258   2HE   MET  28          2HE       MET  28 -10.247   6.855 -10.797
  259   3HE   MET  28          3HE       MET  28 -10.764   5.799 -12.147
  260    H    ILE  29           H        ILE  29  -4.088   4.360 -10.250
  261    HA   ILE  29           HA       ILE  29  -2.202   2.616 -11.843
  262    HB   ILE  29           HB       ILE  29  -2.095   3.532  -8.904
  263   1HG1  ILE  29          2HG1      ILE  29  -0.610   4.516 -11.418
  264   2HG1  ILE  29          1HG1      ILE  29  -1.928   5.376 -10.612
  265   1HG2  ILE  29          1HG2      ILE  29   0.033   2.168 -10.681
  266   2HG2  ILE  29          2HG2      ILE  29  -0.851   1.375  -9.351
  267   3HG2  ILE  29          3HG2      ILE  29   0.274   2.705  -8.998
  268   1HD1  ILE  29          1HD1      ILE  29   0.820   4.722  -9.356
  269   2HD1  ILE  29          2HD1      ILE  29   0.218   6.324  -9.844
  270   3HD1  ILE  29          3HD1      ILE  29  -0.539   5.471  -8.474
  271    H    SER  30           H        SER  30  -2.351   0.538 -11.893
  272    HA   SER  30           HA       SER  30  -4.265  -0.787  -9.944
  273   1HB   SER  30          2HB       SER  30  -4.530  -1.259 -12.398
  274   2HB   SER  30          1HB       SER  30  -2.873  -1.890 -12.465
  275    HG   SER  30           HG       SER  30  -4.434  -3.519 -12.177
  276    H    PHE  31           H        PHE  31  -3.621  -2.859  -9.032
  277    HA   PHE  31           HA       PHE  31  -0.720  -3.434  -8.869
  278   1HB   PHE  31          1HB       PHE  31  -0.378  -2.898  -6.486
  279   2HB   PHE  31          2HB       PHE  31  -0.816  -1.441  -7.377
  280    HD1  PHE  31           HD1      PHE  31  -1.831  -3.783  -4.825
  281    HD2  PHE  31           HD2      PHE  31  -3.088  -0.518  -7.138
  282    HE1  PHE  31           HE1      PHE  31  -3.646  -3.389  -3.283
  283    HE2  PHE  31           HE2      PHE  31  -4.908  -0.129  -5.599
  284    HZ   PHE  31           HZ       PHE  31  -5.194  -1.564  -3.667
  285    H    THR  32           H        THR  32  -0.308  -5.106  -7.126
  286    HA   THR  32           HA       THR  32  -2.798  -6.883  -7.017
  287    HB   THR  32           HB       THR  32  -1.274  -8.838  -7.376
  288    HG1  THR  32           HG1      THR  32   0.839  -8.351  -8.050
  289   1HG2  THR  32          1HG2      THR  32  -2.393  -7.745  -9.356
  290   2HG2  THR  32          2HG2      THR  32  -0.794  -8.403  -9.794
  291   3HG2  THR  32          3HG2      THR  32  -0.996  -6.650  -9.541
  292    H    TYR  33           H        TYR  33  -3.331  -6.598  -4.959
  293    HA   TYR  33           HA       TYR  33  -1.238  -6.899  -2.815
  294   1HB   TYR  33          2HB       TYR  33  -3.170  -6.748  -1.228
  295   2HB   TYR  33          1HB       TYR  33  -3.145  -5.395  -2.361
  296    HD1  TYR  33           HD1      TYR  33  -4.867  -5.137  -3.976
  297    HD2  TYR  33           HD2      TYR  33  -4.799  -8.581  -1.587
  298    HE1  TYR  33           HE1      TYR  33  -7.112  -5.673  -4.682
  299    HE2  TYR  33           HE2      TYR  33  -7.042  -9.116  -2.291
  300    HH   TYR  33           HH       TYR  33  -8.782  -7.049  -4.533
  301    H    ASP  34           H        ASP  34  -1.017  -8.691  -1.516
  302    HA   ASP  34           HA       ASP  34  -2.101 -11.187  -2.866
  303   1HB   ASP  34          2HB       ASP  34   0.384 -10.994  -2.556
  304   2HB   ASP  34          1HB       ASP  34   0.163 -10.839  -0.804
  305    H    GLU  35           H        GLU  35  -4.136 -11.200  -2.032
  306    HA   GLU  35           HA       GLU  35  -4.183 -12.116   0.874
  307   1HB   GLU  35          1HB       GLU  35  -6.198 -10.201  -0.456
  308   2HB   GLU  35          2HB       GLU  35  -6.429 -10.941   1.133
  309   1HG   GLU  35          1HG       GLU  35  -4.052  -9.125   0.383
  310   2HG   GLU  35          2HG       GLU  35  -5.498  -8.593   1.257
  311    HE2  GLU  35           HE2      GLU  35  -4.784 -10.382   4.189
  312    H    GLY  36           H        GLY  36  -4.127 -14.173  -0.141
  313   1HA   GLY  36          1HA       GLY  36  -6.882 -15.195  -0.574
  314   2HA   GLY  36          2HA       GLY  36  -5.988 -15.121  -2.104
  315    H    GLY  37           H        GLY  37  -3.420 -15.726  -1.190
  316   1HA   GLY  37          1HA       GLY  37  -2.097 -17.704  -0.674
  317   2HA   GLY  37          2HA       GLY  37  -3.442 -18.265   0.346
  318    H    GLY  38           H        GLY  38  -3.512 -17.307  -3.049
  319   1HA   GLY  38          1HA       GLY  38  -3.390 -19.492  -4.666
  320   2HA   GLY  38          2HA       GLY  38  -4.733 -20.036  -3.636
  321    H    LYS  39           H        LYS  39  -5.040 -16.842  -3.528
  322    HA   LYS  39           HA       LYS  39  -6.313 -16.508  -6.236
  323   1HB   LYS  39          2HB       LYS  39  -8.074 -17.597  -4.780
  324   2HB   LYS  39          1HB       LYS  39  -7.904 -16.293  -3.606
  325   1HG   LYS  39          1HG       LYS  39  -9.868 -15.857  -5.014
  326   2HG   LYS  39          2HG       LYS  39  -8.656 -14.611  -5.297
  327   1HD   LYS  39          2HD       LYS  39  -9.623 -15.310  -7.436
  328   2HD   LYS  39          1HD       LYS  39  -7.924 -15.784  -7.408
  329   1HE   LYS  39          2HE       LYS  39  -8.584 -18.142  -6.790
  330   2HE   LYS  39          1HE       LYS  39 -10.291 -17.654  -6.736
  331   1HZ   LYS  39          1HZ       LYS  39  -8.531 -17.484  -9.141
  332   2HZ   LYS  39          2HZ       LYS  39 -10.119 -17.030  -9.094
  333   3HZ   LYS  39          3HZ       LYS  39  -9.706 -18.616  -8.885
  334    H    THR  40           H        THR  40  -4.481 -15.095  -6.211
  335    HA   THR  40           HA       THR  40  -4.322 -12.804  -4.389
  336    HB   THR  40           HB       THR  40  -3.390 -13.054  -7.317
  337    HG1  THR  40           HG1      THR  40  -2.107 -13.561  -4.837
  338   1HG2  THR  40          1HG2      THR  40  -3.363 -10.678  -6.469
  339   2HG2  THR  40          2HG2      THR  40  -1.706 -11.311  -6.652
  340   3HG2  THR  40          3HG2      THR  40  -2.442 -11.202  -5.033
  341    H    GLY  41           H        GLY  41  -5.461 -11.034  -4.287
  342   1HA   GLY  41          2HA       GLY  41  -7.674 -10.698  -6.323
  343   2HA   GLY  41          1HA       GLY  41  -7.571  -9.838  -4.777
  344    H    ARG  42           H        ARG  42  -7.945  -8.932  -7.576
  345    HA   ARG  42           HA       ARG  42  -5.519  -7.070  -7.695
  346   1HB   ARG  42          1HB       ARG  42  -7.509  -7.803  -9.933
  347   2HB   ARG  42          2HB       ARG  42  -6.117  -6.722 -10.105
  348   1HG   ARG  42          1HG       ARG  42  -4.569  -8.624  -9.482
  349   2HG   ARG  42          2HG       ARG  42  -5.964  -9.696  -9.288
  350   1HD   ARG  42          1HD       ARG  42  -4.967 -10.033 -11.529
  351   2HD   ARG  42          2HD       ARG  42  -6.590  -9.336 -11.703
  352    HE   ARG  42           HE       ARG  42  -4.669  -7.132 -11.634
  353   1HH1  ARG  42          2HH2      ARG  42  -5.699  -9.911 -13.439
  354   2HH1  ARG  42          1HH2      ARG  42  -5.211  -9.162 -15.042
  355   1HH2  ARG  42          1HH1      ARG  42  -4.093  -6.250 -13.530
  356   2HH2  ARG  42          2HH1      ARG  42  -4.342  -7.183 -15.090
  357    H    GLY  43           H        GLY  43  -5.837  -4.925  -7.740
  358   1HA   GLY  43          2HA       GLY  43  -8.684  -3.905  -7.874
  359   2HA   GLY  43          1HA       GLY  43  -7.843  -3.639  -6.333
  360    H    ALA  44           H        ALA  44  -8.312  -1.374  -7.003
  361    HA   ALA  44           HA       ALA  44  -5.802  -0.270  -8.173
  362   1HB   ALA  44          1HB       ALA  44  -7.111  -0.783 -10.264
  363   2HB   ALA  44          2HB       ALA  44  -6.929   0.979 -10.050
  364   3HB   ALA  44          3HB       ALA  44  -8.478   0.187  -9.653
  365    H    VAL  45           H        VAL  45  -5.812   2.095  -8.173
  366    HA   VAL  45           HA       VAL  45  -7.982   3.435  -6.658
  367    HB   VAL  45           HB       VAL  45  -6.838   2.191  -4.832
  368   1HG1  VAL  45          1HG2      VAL  45  -4.496   2.772  -4.191
  369   2HG1  VAL  45          2HG2      VAL  45  -4.348   3.847  -5.603
  370   3HG1  VAL  45          3HG2      VAL  45  -4.531   2.088  -5.835
  371   1HG2  VAL  45          1HG1      VAL  45  -6.448   4.147  -3.327
  372   2HG2  VAL  45          2HG1      VAL  45  -7.874   4.428  -4.362
  373   3HG2  VAL  45          3HG1      VAL  45  -6.326   5.232  -4.737
  374    H    SER  46           H        SER  46  -7.955   5.544  -7.031
  375    HA   SER  46           HA       SER  46  -6.076   6.498  -9.080
  376   1HB   SER  46          2HB       SER  46  -7.972   8.124  -7.270
  377   2HB   SER  46          1HB       SER  46  -7.193   8.724  -8.750
  378    HG   SER  46           HG       SER  46  -8.240   7.028  -9.879
  379    H    GLU  47           H        GLU  47  -4.498   8.063  -8.931
  380    HA   GLU  47           HA       GLU  47  -3.129   7.961  -6.235
  381   1HB   GLU  47          2HB       GLU  47  -1.091   8.653  -7.458
  382   2HB   GLU  47          1HB       GLU  47  -1.835   7.244  -8.226
  383   1HG   GLU  47          1HG       GLU  47  -2.943   8.756  -9.928
  384   2HG   GLU  47          2HG       GLU  47  -2.190  10.166  -9.162
  385    H    LYS  48           H        LYS  48  -5.373   9.839  -7.283
  386    HA   LYS  48           HA       LYS  48  -3.927  12.456  -6.806
  387   1HB   LYS  48          2HB       LYS  48  -5.591  12.329  -8.658
  388   2HB   LYS  48          1HB       LYS  48  -6.860  11.839  -7.522
  389   1HG   LYS  48          1HG       LYS  48  -6.532  13.992  -6.244
  390   2HG   LYS  48          2HG       LYS  48  -5.322  14.516  -7.418
  391   1HD   LYS  48          1HD       LYS  48  -8.242  13.822  -8.156
  392   2HD   LYS  48          2HD       LYS  48  -7.683  15.438  -7.730
  393   1HE   LYS  48          2HE       LYS  48  -7.637  15.443 -10.097
  394   2HE   LYS  48          1HE       LYS  48  -5.940  15.253  -9.637
  395   1HZ   LYS  48          1HZ       LYS  48  -7.778  13.041 -10.442
  396   2HZ   LYS  48          2HZ       LYS  48  -6.196  12.840 -10.015
  397   3HZ   LYS  48          3HZ       LYS  48  -6.583  13.691 -11.378
  398    H    ASP  49           H        ASP  49  -5.080  10.075  -4.950
  399    HA   ASP  49           HA       ASP  49  -5.362  11.958  -2.648
  400   1HB   ASP  49          1HB       ASP  49  -7.657  11.171  -1.996
  401   2HB   ASP  49          2HB       ASP  49  -7.678  12.012  -3.556
  402    H    ALA  50           H        ALA  50  -3.468  10.120  -3.158
  403    HA   ALA  50           HA       ALA  50  -4.278   7.789  -1.369
  404   1HB   ALA  50          1HB       ALA  50  -3.490   7.137  -3.670
  405   2HB   ALA  50          2HB       ALA  50  -1.958   8.013  -3.406
  406   3HB   ALA  50          3HB       ALA  50  -2.335   6.563  -2.437
  407    HA   PRO  51           HA       PRO  51  -1.612   9.229   1.867
  408   1HB   PRO  51          2HB       PRO  51  -0.281   6.484   1.619
  409   2HB   PRO  51          1HB       PRO  51  -0.817   7.305   3.111
  410   1HG   PRO  51          2HG       PRO  51  -2.378   5.347   2.088
  411   2HG   PRO  51          1HG       PRO  51  -3.154   6.871   2.597
  412   1HD   PRO  51          2HD       PRO  51  -2.469   5.990  -0.252
  413   2HD   PRO  51          1HD       PRO  51  -3.940   6.824   0.359
  414    H    LYS  52           H        LYS  52   0.543   9.883   2.293
  415    HA   LYS  52           HA       LYS  52   1.939  10.410  -0.272
  416   1HB   LYS  52          2HB       LYS  52   3.430  11.864   1.077
  417   2HB   LYS  52          1HB       LYS  52   1.732  12.172   1.472
  418   1HG   LYS  52          2HG       LYS  52   1.919  10.652   3.476
  419   2HG   LYS  52          1HG       LYS  52   3.615  10.334   3.079
  420   1HD   LYS  52          2HD       LYS  52   4.118  12.806   3.264
  421   2HD   LYS  52          1HD       LYS  52   2.431  13.115   3.698
  422   1HE   LYS  52          2HE       LYS  52   4.377  11.309   5.277
  423   2HE   LYS  52          1HE       LYS  52   3.912  12.961   5.729
  424   1HZ   LYS  52          1HZ       LYS  52   1.593  12.206   5.877
  425   2HZ   LYS  52          2HZ       LYS  52   2.556  11.314   6.882
  426   3HZ   LYS  52          3HZ       LYS  52   2.024  10.666   5.458
  427    H    GLU  53           H        GLU  53   2.161   8.004   2.087
  428    HA   GLU  53           HA       GLU  53   5.041   7.502   1.949
  429   1HB   GLU  53          2HB       GLU  53   2.752   5.475   2.336
  430   2HB   GLU  53          1HB       GLU  53   4.457   5.169   2.688
  431   1HG   GLU  53          2HG       GLU  53   2.709   7.321   4.047
  432   2HG   GLU  53          1HG       GLU  53   3.184   5.772   4.759
  433    H    LEU  54           H        LEU  54   2.300   6.565  -0.060
  434    HA   LEU  54           HA       LEU  54   4.042   4.817  -1.751
  435   1HB   LEU  54          1HB       LEU  54   1.232   5.971  -2.273
  436   2HB   LEU  54          2HB       LEU  54   2.025   4.776  -3.302
  437    HG   LEU  54           HG       LEU  54   1.408   4.335  -0.317
  438   1HD1  LEU  54          1HD2      LEU  54  -0.444   2.881  -1.176
  439   2HD1  LEU  54          2HD2      LEU  54  -0.671   4.569  -1.707
  440   3HD1  LEU  54          3HD2      LEU  54  -0.051   3.350  -2.851
  441   1HD2  LEU  54          1HD1      LEU  54   1.847   1.919  -0.924
  442   2HD2  LEU  54          2HD1      LEU  54   2.332   2.425  -2.563
  443   3HD2  LEU  54          3HD1      LEU  54   3.302   2.923  -1.149
  444    H    LEU  55           H        LEU  55   3.056   8.154  -1.633
  445    HA   LEU  55           HA       LEU  55   3.830   8.619  -4.471
  446   1HB   LEU  55          1HB       LEU  55   3.418  10.643  -2.186
  447   2HB   LEU  55          2HB       LEU  55   3.555  11.055  -3.898
  448    HG   LEU  55           HG       LEU  55   1.362   9.260  -2.693
  449   1HD1  LEU  55          1HD1      LEU  55  -0.114  11.243  -3.108
  450   2HD1  LEU  55          2HD1      LEU  55   1.196  11.660  -1.972
  451   3HD1  LEU  55          3HD1      LEU  55   1.291  12.184  -3.674
  452   1HD2  LEU  55          1HD2      LEU  55   0.264   9.593  -4.944
  453   2HD2  LEU  55          2HD2      LEU  55   1.807   8.719  -5.100
  454   3HD2  LEU  55          3HD2      LEU  55   1.716  10.451  -5.522
  455    H    GLN  56           H        GLN  56   5.394   8.618  -1.378
  456    HA   GLN  56           HA       GLN  56   7.694  10.227  -2.363
  457   1HB   GLN  56          1HB       GLN  56   7.029  10.101   0.065
  458   2HB   GLN  56          2HB       GLN  56   7.467   8.387   0.097
  459   1HG   GLN  56          1HG       GLN  56   9.842   8.974  -0.507
  460   2HG   GLN  56          2HG       GLN  56   9.401  10.687  -0.603
  461   1HE2  GLN  56          2HE2      GLN  56  10.079  11.726   1.085
  462   2HE2  GLN  56          1HE2      GLN  56  10.040  11.123   2.816
  463    H    MET  57           H        MET  57   6.659   6.980  -2.581
  464    HA   MET  57           HA       MET  57   9.314   5.735  -2.804
  465   1HB   MET  57          2HB       MET  57   7.264   4.385  -2.444
  466   2HB   MET  57          1HB       MET  57   6.591   4.918  -3.990
  467   1HG   MET  57          1HG       MET  57   8.470   3.806  -5.230
  468   2HG   MET  57          2HG       MET  57   9.227   3.338  -3.691
  469   1HE   MET  57          1HE       MET  57   9.274   0.834  -4.498
  470   2HE   MET  57          2HE       MET  57   7.841  -0.058  -5.094
  471   3HE   MET  57          3HE       MET  57   8.497   1.315  -6.038
  472    H    LEU  58           H        LEU  58   7.062   7.185  -5.133
  473    HA   LEU  58           HA       LEU  58   9.151   6.686  -7.268
  474   1HB   LEU  58          1HB       LEU  58   6.299   7.820  -7.481
  475   2HB   LEU  58          2HB       LEU  58   7.342   7.440  -8.855
  476    HG   LEU  58           HG       LEU  58   6.436   5.383  -6.745
  477   1HD1  LEU  58          1HD2      LEU  58   5.418   5.918  -9.609
  478   2HD1  LEU  58          2HD2      LEU  58   4.524   6.274  -8.106
  479   3HD1  LEU  58          3HD2      LEU  58   4.890   4.584  -8.548
  480   1HD2  LEU  58          1HD1      LEU  58   7.837   5.064  -9.481
  481   2HD2  LEU  58          2HD1      LEU  58   7.239   3.723  -8.469
  482   3HD2  LEU  58          3HD1      LEU  58   8.577   4.746  -7.889
  483    H    GLU  59           H        GLU  59   7.832   9.218  -5.311
  484    HA   GLU  59           HA       GLU  59   9.196  11.250  -7.123
  485   1HB   GLU  59          2HB       GLU  59   7.394  11.716  -4.667
  486   2HB   GLU  59          1HB       GLU  59   8.033  12.971  -5.736
  487   1HG   GLU  59          1HG       GLU  59   6.809  11.911  -7.693
  488   2HG   GLU  59          2HG       GLU  59   6.131  10.695  -6.597
  489    H    LYS  60           H        LYS  60  11.132   9.966  -6.260
  490    HA   LYS  60           HA       LYS  60  11.927  10.733  -3.483
  491   1HB   LYS  60          2HB       LYS  60  12.708   8.591  -4.522
  492   2HB   LYS  60          1HB       LYS  60  13.530   9.493  -5.796
  493   1HG   LYS  60          2HG       LYS  60  15.175   8.803  -4.171
  494   2HG   LYS  60          1HG       LYS  60  15.052  10.557  -4.066
  495   1HD   LYS  60          1HD       LYS  60  13.286   8.897  -2.215
  496   2HD   LYS  60          2HD       LYS  60  15.023   8.899  -1.903
  497   1HE   LYS  60          1HE       LYS  60  15.052  11.407  -1.820
  498   2HE   LYS  60          2HE       LYS  60  13.301  11.447  -2.095
  499   1HZ   LYS  60          1HZ       LYS  60  13.013  10.125  -0.059
  500   2HZ   LYS  60          2HZ       LYS  60  14.645  10.094   0.199
  501   3HZ   LYS  60          3HZ       LYS  60  13.824  11.526   0.269
  502    H    GLN  61           H        GLN  61  11.925  12.906  -3.386
  503    HA   GLN  61           HA       GLN  61  13.649  14.377  -5.419
  504   1HB   GLN  61          1HB       GLN  61  11.815  15.477  -3.200
  505   2HB   GLN  61          2HB       GLN  61  12.701  16.464  -4.369
  506   1HG   GLN  61          1HG       GLN  61  10.529  14.384  -5.066
  507   2HG   GLN  61          2HG       GLN  61  10.323  16.141  -5.069
  508   1HE2  GLN  61          2HE2      GLN  61  12.111  17.303  -6.353
  509   2HE2  GLN  61          1HE2      GLN  61  12.438  16.594  -8.013
  510    H    LYS  62           H        LYS  62  14.870  16.265  -4.357
  511    HA   LYS  62           HA       LYS  62  15.944  15.576  -1.645
  512   1HB   LYS  62          1HB       LYS  62  17.184  14.015  -3.180
  513   2HB   LYS  62          2HB       LYS  62  17.733  15.393  -4.146
  514   1HG   LYS  62          1HG       LYS  62  18.933  16.338  -2.146
  515   2HG   LYS  62          2HG       LYS  62  18.294  15.036  -1.135
  516   1HD   LYS  62          1HD       LYS  62  20.580  14.463  -1.752
  517   2HD   LYS  62          2HD       LYS  62  19.494  13.335  -2.574
  518   1HE   LYS  62          1HE       LYS  62  19.680  14.687  -4.695
  519   2HE   LYS  62          2HE       LYS  62  20.706  15.870  -3.858
  520   1HZ   LYS  62          1HZ       LYS  62  21.355  12.978  -4.209
  521   2HZ   LYS  62          2HZ       LYS  62  22.312  14.079  -3.433
  522   3HZ   LYS  62          3HZ       LYS  62  22.031  14.227  -5.053
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1   1.683   1.699   9.223
    2   2H    ALA   1          2H        ALA   1   1.806   3.262   9.744
    3   3H    ALA   1          3H        ALA   1   0.444   2.386  10.072
    4    HA   ALA   1           HA       ALA   1  -0.007   3.969   8.287
    5   1HB   ALA   1          1HB       ALA   1   2.367   4.060   7.444
    6   2HB   ALA   1          2HB       ALA   1   2.229   2.379   6.864
    7   3HB   ALA   1          3HB       ALA   1   1.236   3.662   6.122
    8    H    THR   2           H        THR   2  -1.830   3.380   7.431
    9    HA   THR   2           HA       THR   2  -2.059   0.750   6.048
   10    HB   THR   2           HB       THR   2  -2.354   0.030   8.400
   11    HG1  THR   2           HG1      THR   2  -3.588  -0.898   6.740
   12   1HG2  THR   2          1HG2      THR   2  -4.315   0.852   9.733
   13   2HG2  THR   2          2HG2      THR   2  -3.211   2.202   9.365
   14   3HG2  THR   2          3HG2      THR   2  -4.730   2.012   8.446
   15    H    VAL   3           H        VAL   3  -4.045   0.485   4.979
   16    HA   VAL   3           HA       VAL   3  -5.520   3.152   4.696
   17    HB   VAL   3           HB       VAL   3  -4.919   1.121   2.467
   18   1HG1  VAL   3          1HG2      VAL   3  -7.042   2.406   2.121
   19   2HG1  VAL   3          2HG2      VAL   3  -5.787   2.956   0.981
   20   3HG1  VAL   3          3HG2      VAL   3  -6.177   3.940   2.417
   21   1HG2  VAL   3          1HG1      VAL   3  -3.683   3.890   3.062
   22   2HG2  VAL   3          2HG1      VAL   3  -2.835   2.325   3.191
   23   3HG2  VAL   3          3HG1      VAL   3  -3.374   2.920   1.600
   24    H    LYS   4           H        LYS   4  -7.588   3.060   5.041
   25    HA   LYS   4           HA       LYS   4  -8.856   0.403   5.505
   26   1HB   LYS   4          1HB       LYS   4  -9.413   2.608   6.760
   27   2HB   LYS   4          2HB       LYS   4 -10.225   3.153   5.294
   28   1HG   LYS   4          2HG       LYS   4 -11.913   2.196   6.779
   29   2HG   LYS   4          1HG       LYS   4 -11.740   1.129   5.388
   30   1HD   LYS   4          1HD       LYS   4 -11.878  -0.214   7.437
   31   2HD   LYS   4          2HD       LYS   4 -10.278  -0.422   6.729
   32   1HE   LYS   4          2HE       LYS   4 -10.117  -0.111   9.194
   33   2HE   LYS   4          1HE       LYS   4  -9.322   1.241   8.373
   34   1HZ   LYS   4          1HZ       LYS   4 -11.373   2.544   8.674
   35   2HZ   LYS   4          2HZ       LYS   4 -10.802   2.015  10.131
   36   3HZ   LYS   4          3HZ       LYS   4 -12.109   1.279   9.441
   37    H    PHE   5           H        PHE   5  -8.796  -0.672   3.610
   38    HA   PHE   5           HA       PHE   5  -9.935   0.744   1.187
   39   1HB   PHE   5          2HB       PHE   5  -7.757  -0.469   0.966
   40   2HB   PHE   5          1HB       PHE   5  -8.522  -1.978   1.486
   41    HD1  PHE   5           HD1      PHE   5  -9.209   0.726  -0.983
   42    HD2  PHE   5           HD2      PHE   5  -9.115  -3.390  -0.197
   43    HE1  PHE   5           HE1      PHE   5  -9.877   0.275  -3.265
   44    HE2  PHE   5           HE2      PHE   5  -9.784  -3.841  -2.477
   45    HZ   PHE   5           HZ       PHE   5 -10.165  -2.009  -4.012
   46    H    LYS   6           H        LYS   6 -12.080   0.735   1.970
   47    HA   LYS   6           HA       LYS   6 -13.422  -1.929   2.296
   48   1HB   LYS   6          2HB       LYS   6 -15.523  -0.616   2.461
   49   2HB   LYS   6          1HB       LYS   6 -14.286   0.070   3.525
   50   1HG   LYS   6          1HG       LYS   6 -13.749   1.825   1.815
   51   2HG   LYS   6          2HG       LYS   6 -14.859   1.065   0.672
   52   1HD   LYS   6          1HD       LYS   6 -16.027   2.932   1.579
   53   2HD   LYS   6          2HD       LYS   6 -16.785   1.513   2.302
   54   1HE   LYS   6          2HE       LYS   6 -14.552   3.122   3.705
   55   2HE   LYS   6          1HE       LYS   6 -16.266   3.535   3.855
   56   1HZ   LYS   6          1HZ       LYS   6 -16.690   1.311   4.743
   57   2HZ   LYS   6          2HZ       LYS   6 -15.564   2.098   5.660
   58   3HZ   LYS   6          3HZ       LYS   6 -15.092   0.908   4.615
   59    H    TYR   7           H        TYR   7 -15.666  -1.808   0.891
   60    HA   TYR   7           HA       TYR   7 -14.877  -1.160  -1.957
   61   1HB   TYR   7          1HB       TYR   7 -14.131  -3.520  -1.505
   62   2HB   TYR   7          2HB       TYR   7 -15.781  -3.970  -1.072
   63    HD1  TYR   7           HD1      TYR   7 -14.050  -2.141  -3.827
   64    HD2  TYR   7           HD2      TYR   7 -17.002  -4.924  -2.763
   65    HE1  TYR   7           HE1      TYR   7 -14.539  -2.517  -6.163
   66    HE2  TYR   7           HE2      TYR   7 -17.488  -5.299  -5.101
   67    HH   TYR   7           HH       TYR   7 -15.741  -3.587  -7.615
   68    H    LYS   8           H        LYS   8 -17.447  -3.361  -1.009
   69    HA   LYS   8           HA       LYS   8 -19.376  -1.165  -1.882
   70   1HB   LYS   8          1HB       LYS   8 -19.779  -4.201  -1.607
   71   2HB   LYS   8          2HB       LYS   8 -21.043  -3.089  -2.131
   72   1HG   LYS   8          2HG       LYS   8 -18.407  -3.040  -3.666
   73   2HG   LYS   8          1HG       LYS   8 -19.440  -4.455  -3.843
   74   1HD   LYS   8          2HD       LYS   8 -20.029  -2.923  -5.611
   75   2HD   LYS   8          1HD       LYS   8 -21.389  -3.009  -4.489
   76   1HE   LYS   8          1HE       LYS   8 -20.690  -0.835  -3.447
   77   2HE   LYS   8          2HE       LYS   8 -19.260  -0.773  -4.499
   78   1HZ   LYS   8          1HZ       LYS   8 -22.088  -0.810  -5.450
   79   2HZ   LYS   8          2HZ       LYS   8 -20.759  -0.749  -6.428
   80   3HZ   LYS   8          3HZ       LYS   8 -21.101   0.514  -5.419
   81    H    GLY   9           H        GLY   9 -19.822  -4.028   0.144
   82   1HA   GLY   9          2HA       GLY   9 -20.645  -2.110   2.391
   83   2HA   GLY   9          1HA       GLY   9 -21.623  -3.544   2.015
   84    H    GLU  10           H        GLU  10 -18.133  -3.501   1.788
   85    HA   GLU  10           HA       GLU  10 -18.073  -5.243   4.304
   86   1HB   GLU  10          1HB       GLU  10 -16.402  -5.574   1.736
   87   2HB   GLU  10          2HB       GLU  10 -16.215  -6.542   3.206
   88   1HG   GLU  10          1HG       GLU  10 -18.618  -7.312   3.001
   89   2HG   GLU  10          2HG       GLU  10 -18.788  -6.371   1.509
   90    H    GLU  11           H        GLU  11 -15.542  -5.550   4.774
   91    HA   GLU  11           HA       GLU  11 -14.202  -2.845   4.522
   92   1HB   GLU  11          1HB       GLU  11 -15.675  -2.760   6.567
   93   2HB   GLU  11          2HB       GLU  11 -14.864  -4.193   7.215
   94   1HG   GLU  11          2HG       GLU  11 -12.665  -2.959   7.217
   95   2HG   GLU  11          1HG       GLU  11 -13.461  -1.535   6.522
   96    H    LEU  12           H        LEU  12 -12.091  -3.005   4.379
   97    HA   LEU  12           HA       LEU  12 -10.823  -5.620   5.302
   98   1HB   LEU  12          1HB       LEU  12 -10.264  -4.188   2.629
   99   2HB   LEU  12          2HB       LEU  12  -9.340  -5.562   3.240
  100    HG   LEU  12           HG       LEU  12 -12.360  -5.627   2.635
  101   1HD1  LEU  12          1HD2      LEU  12 -11.661  -6.965   0.635
  102   2HD1  LEU  12          2HD2      LEU  12  -9.945  -6.722   1.058
  103   3HD1  LEU  12          3HD2      LEU  12 -10.952  -5.329   0.581
  104   1HD2  LEU  12          1HD1      LEU  12 -12.033  -8.123   2.819
  105   2HD2  LEU  12          2HD1      LEU  12 -10.342  -7.864   3.325
  106   3HD2  LEU  12          3HD1      LEU  12 -11.683  -7.313   4.366
  107    H    GLN  13           H        GLN  13  -8.358  -5.337   5.192
  108    HA   GLN  13           HA       GLN  13  -7.556  -2.483   5.743
  109   1HB   GLN  13          2HB       GLN  13  -8.504  -3.344   7.914
  110   2HB   GLN  13          1HB       GLN  13  -7.355  -4.689   7.888
  111   1HG   GLN  13          2HG       GLN  13  -5.431  -3.055   7.928
  112   2HG   GLN  13          1HG       GLN  13  -6.575  -1.702   7.908
  113   1HE2  GLN  13          2HE2      GLN  13  -7.685  -1.169   9.717
  114   2HE2  GLN  13          1HE2      GLN  13  -7.351  -1.926  11.354
  115    H    VAL  14           H        VAL  14  -6.141  -2.645   4.093
  116    HA   VAL  14           HA       VAL  14  -4.221  -4.913   3.954
  117    HB   VAL  14           HB       VAL  14  -3.090  -3.558   2.195
  118   1HG1  VAL  14          1HG1      VAL  14  -5.120  -4.926   1.618
  119   2HG1  VAL  14          2HG1      VAL  14  -6.167  -3.521   1.957
  120   3HG1  VAL  14          3HG1      VAL  14  -5.010  -3.464   0.603
  121   1HG2  VAL  14          1HG2      VAL  14  -4.022  -1.324   1.553
  122   2HG2  VAL  14          2HG2      VAL  14  -3.395  -1.280   3.219
  123   3HG2  VAL  14          3HG2      VAL  14  -5.153  -1.378   2.928
  124    H    ASP  15           H        ASP  15  -1.805  -4.173   3.765
  125    HA   ASP  15           HA       ASP  15  -1.243  -2.279   6.078
  126   1HB   ASP  15          2HB       ASP  15   0.438  -3.846   7.021
  127   2HB   ASP  15          1HB       ASP  15  -1.157  -4.608   6.979
  128    H    ILE  16           H        ILE  16   0.930  -1.492   6.097
  129    HA   ILE  16           HA       ILE  16   1.546  -0.714   3.342
  130    HB   ILE  16           HB       ILE  16   1.653   0.789   5.381
  131   1HG1  ILE  16          1HG1      ILE  16   3.889   1.900   4.780
  132   2HG1  ILE  16          2HG1      ILE  16   4.161   0.600   3.620
  133   1HG2  ILE  16          1HG2      ILE  16   3.696   0.742   6.809
  134   2HG2  ILE  16          2HG2      ILE  16   2.826  -0.808   6.933
  135   3HG2  ILE  16          3HG2      ILE  16   4.306  -0.685   5.941
  136   1HD1  ILE  16          1HD1      ILE  16   1.718   2.510   3.653
  137   2HD1  ILE  16          2HD1      ILE  16   3.097   2.615   2.531
  138   3HD1  ILE  16          3HD1      ILE  16   1.983   1.223   2.445
  139    H    SER  17           H        SER  17   2.766  -3.171   5.387
  140    HA   SER  17           HA       SER  17   5.429  -3.119   3.995
  141   1HB   SER  17          1HB       SER  17   4.352  -5.009   6.174
  142   2HB   SER  17          2HB       SER  17   6.036  -4.927   5.621
  143    HG   SER  17           HG       SER  17   4.521  -2.799   6.745
  144    H    LYS  18           H        LYS  18   2.440  -4.839   3.800
  145    HA   LYS  18           HA       LYS  18   3.812  -7.163   2.479
  146   1HB   LYS  18          1HB       LYS  18   1.901  -7.490   4.079
  147   2HB   LYS  18          2HB       LYS  18   0.820  -6.639   2.962
  148   1HG   LYS  18          1HG       LYS  18   1.373  -8.327   1.159
  149   2HG   LYS  18          2HG       LYS  18   2.404  -9.202   2.294
  150   1HD   LYS  18          1HD       LYS  18  -0.618  -8.685   2.655
  151   2HD   LYS  18          2HD       LYS  18   0.093 -10.197   2.079
  152   1HE   LYS  18          2HE       LYS  18   0.557  -8.951   4.864
  153   2HE   LYS  18          1HE       LYS  18  -0.459 -10.353   4.499
  154   1HZ   LYS  18          1HZ       LYS  18   1.527 -11.512   3.675
  155   2HZ   LYS  18          2HZ       LYS  18   1.745 -11.032   5.241
  156   3HZ   LYS  18          3HZ       LYS  18   2.480 -10.206   4.013
  157    H    ILE  19           H        ILE  19   2.804  -4.176   1.480
  158    HA   ILE  19           HA       ILE  19   1.535  -5.006  -1.068
  159    HB   ILE  19           HB       ILE  19   2.973  -2.377  -0.387
  160   1HG1  ILE  19          1HG1      ILE  19   0.029  -3.263  -0.154
  161   2HG1  ILE  19          2HG1      ILE  19   1.119  -2.910   1.188
  162   1HG2  ILE  19          1HG2      ILE  19   1.630  -1.474  -2.310
  163   2HG2  ILE  19          2HG2      ILE  19   0.919  -3.087  -2.586
  164   3HG2  ILE  19          3HG2      ILE  19   2.659  -2.814  -2.858
  165   1HD1  ILE  19          1HD1      ILE  19   1.325  -0.502   0.373
  166   2HD1  ILE  19          2HD1      ILE  19   0.132  -0.861  -0.906
  167   3HD1  ILE  19          3HD1      ILE  19  -0.344  -0.956   0.805
  168    H    LYS  20           H        LYS  20   2.517  -6.029  -2.598
  169    HA   LYS  20           HA       LYS  20   5.533  -6.002  -2.606
  170   1HB   LYS  20          1HB       LYS  20   3.554  -7.619  -4.323
  171   2HB   LYS  20          2HB       LYS  20   5.300  -7.880  -4.261
  172   1HG   LYS  20          2HG       LYS  20   3.379  -8.165  -1.858
  173   2HG   LYS  20          1HG       LYS  20   4.008  -9.498  -2.831
  174   1HD   LYS  20          1HD       LYS  20   6.373  -8.830  -2.209
  175   2HD   LYS  20          2HD       LYS  20   5.723  -7.552  -1.167
  176   1HE   LYS  20          1HE       LYS  20   4.442  -9.279   0.158
  177   2HE   LYS  20          2HE       LYS  20   5.096 -10.560  -0.883
  178   1HZ   LYS  20          1HZ       LYS  20   7.343  -9.893  -0.186
  179   2HZ   LYS  20          2HZ       LYS  20   6.733  -8.702   0.783
  180   3HZ   LYS  20          3HZ       LYS  20   6.425 -10.287   1.130
  181    H    LYS  21           H        LYS  21   4.032  -6.699  -5.580
  182    HA   LYS  21           HA       LYS  21   5.687  -4.606  -6.831
  183   1HB   LYS  21          1HB       LYS  21   3.464  -6.352  -8.054
  184   2HB   LYS  21          2HB       LYS  21   4.616  -5.375  -8.980
  185   1HG   LYS  21          1HG       LYS  21   6.521  -6.636  -7.858
  186   2HG   LYS  21          2HG       LYS  21   5.344  -7.701  -7.087
  187   1HD   LYS  21          1HD       LYS  21   5.598  -7.326 -10.143
  188   2HD   LYS  21          2HD       LYS  21   6.411  -8.588  -9.218
  189   1HE   LYS  21          2HE       LYS  21   4.482  -9.674 -10.054
  190   2HE   LYS  21          1HE       LYS  21   4.082  -9.343  -8.362
  191   1HZ   LYS  21          1HZ       LYS  21   2.272  -8.727  -9.859
  192   2HZ   LYS  21          2HZ       LYS  21   2.850  -7.363  -9.128
  193   3HZ   LYS  21          3HZ       LYS  21   3.238  -7.685 -10.701
  194    H    VAL  22           H        VAL  22   5.148  -2.758  -7.797
  195    HA   VAL  22           HA       VAL  22   2.257  -1.975  -7.937
  196    HB   VAL  22           HB       VAL  22   2.889  -1.359  -5.614
  197   1HG1  VAL  22          1HG2      VAL  22   5.040   0.427  -6.924
  198   2HG1  VAL  22          2HG2      VAL  22   4.625   0.391  -5.193
  199   3HG1  VAL  22          3HG2      VAL  22   5.360  -1.040  -5.958
  200   1HG2  VAL  22          1HG1      VAL  22   2.625   1.106  -7.450
  201   2HG2  VAL  22          2HG1      VAL  22   2.242   1.051  -5.710
  202   3HG2  VAL  22          3HG1      VAL  22   1.272   0.100  -6.866
  203    H    TRP  23           H        TRP  23   1.895  -0.630  -9.573
  204    HA   TRP  23           HA       TRP  23   4.311   0.712 -10.832
  205   1HB   TRP  23          2HB       TRP  23   3.792  -0.270 -13.055
  206   2HB   TRP  23          1HB       TRP  23   4.148  -1.541 -11.880
  207    HD1  TRP  23           HD1      TRP  23   1.217  -0.089 -13.977
  208    HE1  TRP  23           HE1      TRP  23  -0.836  -1.756 -13.922
  209    HE3  TRP  23           HE3      TRP  23   3.052  -3.118 -10.503
  210    HZ2  TRP  23           HZ2      TRP  23  -1.350  -4.027 -12.452
  211    HZ3  TRP  23           HZ3      TRP  23   1.748  -5.050  -9.780
  212    HH2  TRP  23           HH2      TRP  23  -0.421  -5.497 -10.745
  213    H    ARG  24           H        ARG  24   3.671   2.059 -12.698
  214    HA   ARG  24           HA       ARG  24   0.846   3.132 -12.330
  215   1HB   ARG  24          2HB       ARG  24   2.529   4.313 -10.845
  216   2HB   ARG  24          1HB       ARG  24   3.413   4.849 -12.271
  217   1HG   ARG  24          1HG       ARG  24   0.424   5.482 -11.824
  218   2HG   ARG  24          2HG       ARG  24   1.716   6.481 -11.161
  219   1HD   ARG  24          2HD       ARG  24   2.650   6.817 -13.506
  220   2HD   ARG  24          1HD       ARG  24   1.237   5.962 -14.156
  221    HE   ARG  24           HE       ARG  24   0.249   8.068 -12.403
  222   1HH1  ARG  24          1HH2      ARG  24   2.036   7.464 -15.318
  223   2HH1  ARG  24          2HH2      ARG  24   1.487   9.037 -16.086
  224   1HH2  ARG  24          1HH1      ARG  24  -0.399   9.927 -13.317
  225   2HH2  ARG  24          2HH1      ARG  24   0.171  10.368 -15.005
  226    H    VAL  25           H        VAL  25  -0.076   3.255 -14.202
  227    HA   VAL  25           HA       VAL  25   1.382   4.436 -16.499
  228    HB   VAL  25           HB       VAL  25   2.206   2.061 -16.469
  229   1HG1  VAL  25          1HG2      VAL  25  -0.723   1.334 -17.123
  230   2HG1  VAL  25          2HG2      VAL  25   0.107   0.977 -15.585
  231   3HG1  VAL  25          3HG2      VAL  25   0.663   0.215 -17.097
  232   1HG2  VAL  25          1HG1      VAL  25   0.458   2.762 -18.910
  233   2HG2  VAL  25          2HG1      VAL  25   1.830   1.625 -18.888
  234   3HG2  VAL  25          3HG1      VAL  25   2.110   3.363 -18.608
  235    H    GLY  26           H        GLY  26  -0.862   5.009 -14.938
  236   1HA   GLY  26          1HA       GLY  26  -2.786   5.518 -17.119
  237   2HA   GLY  26          2HA       GLY  26  -3.391   4.207 -16.086
  238    H    LYS  27           H        LYS  27  -5.060   5.284 -15.195
  239    HA   LYS  27           HA       LYS  27  -4.584   7.982 -13.976
  240   1HB   LYS  27          1HB       LYS  27  -6.766   7.435 -15.074
  241   2HB   LYS  27          2HB       LYS  27  -7.037   6.120 -13.924
  242   1HG   LYS  27          1HG       LYS  27  -8.293   8.147 -13.227
  243   2HG   LYS  27          2HG       LYS  27  -7.070   7.742 -12.018
  244   1HD   LYS  27          1HD       LYS  27  -5.504   9.450 -13.041
  245   2HD   LYS  27          2HD       LYS  27  -6.731   9.840 -14.257
  246   1HE   LYS  27          2HE       LYS  27  -6.836  11.494 -12.416
  247   2HE   LYS  27          1HE       LYS  27  -8.330  10.537 -12.435
  248   1HZ   LYS  27          1HZ       LYS  27  -7.417  10.719 -10.193
  249   2HZ   LYS  27          2HZ       LYS  27  -5.989  10.027 -10.654
  250   3HZ   LYS  27          3HZ       LYS  27  -7.381   9.138 -10.669
  251    H    MET  28           H        MET  28  -6.176   5.121 -12.592
  252    HA   MET  28           HA       MET  28  -5.101   5.955  -9.925
  253   1HB   MET  28          2HB       MET  28  -6.696   3.426 -10.670
  254   2HB   MET  28          1HB       MET  28  -6.411   4.036  -9.034
  255   1HG   MET  28          1HG       MET  28  -7.640   6.182  -9.644
  256   2HG   MET  28          2HG       MET  28  -7.974   5.513 -11.256
  257   1HE   MET  28          1HE       MET  28 -10.543   5.828 -10.938
  258   2HE   MET  28          2HE       MET  28 -11.463   5.248  -9.516
  259   3HE   MET  28          3HE       MET  28 -10.240   6.542  -9.324
  260    H    ILE  29           H        ILE  29  -3.864   4.621  -8.572
  261    HA   ILE  29           HA       ILE  29  -1.797   3.133 -10.196
  262    HB   ILE  29           HB       ILE  29  -1.893   3.776  -7.185
  263   1HG1  ILE  29          1HG1      ILE  29  -1.863   5.860  -8.494
  264   2HG1  ILE  29          2HG1      ILE  29  -0.314   5.605  -7.693
  265   1HG2  ILE  29          1HG2      ILE  29   0.407   2.792  -8.990
  266   2HG2  ILE  29          2HG2      ILE  29  -0.384   1.875  -7.684
  267   3HG2  ILE  29          3HG2      ILE  29   0.586   3.317  -7.295
  268   1HD1  ILE  29          1HD1      ILE  29   0.682   4.747  -9.863
  269   2HD1  ILE  29          2HD1      ILE  29  -0.886   5.011 -10.675
  270   3HD1  ILE  29          3HD1      ILE  29   0.031   6.393 -10.032
  271    H    SER  30           H        SER  30  -1.725   1.059 -10.372
  272    HA   SER  30           HA       SER  30  -3.684  -0.542  -8.704
  273   1HB   SER  30          1HB       SER  30  -3.661  -0.850 -11.200
  274   2HB   SER  30          2HB       SER  30  -1.962  -1.357 -11.130
  275    HG   SER  30           HG       SER  30  -3.415  -3.106 -11.118
  276    H    PHE  31           H        PHE  31  -2.990  -2.609  -7.852
  277    HA   PHE  31           HA       PHE  31  -0.090  -3.038  -7.446
  278   1HB   PHE  31          1HB       PHE  31   0.002  -2.633  -5.008
  279   2HB   PHE  31          2HB       PHE  31  -0.423  -1.147  -5.858
  280    HD1  PHE  31           HD1      PHE  31  -2.740  -0.330  -5.775
  281    HD2  PHE  31           HD2      PHE  31  -1.572  -3.701  -3.571
  282    HE1  PHE  31           HE1      PHE  31  -4.720  -0.122  -4.409
  283    HE2  PHE  31           HE2      PHE  31  -3.550  -3.490  -2.204
  284    HZ   PHE  31           HZ       PHE  31  -5.134  -1.704  -2.620
  285    H    THR  32           H        THR  32   0.331  -4.865  -6.022
  286    HA   THR  32           HA       THR  32  -2.131  -6.681  -5.944
  287    HB   THR  32           HB       THR  32  -0.597  -8.589  -6.486
  288    HG1  THR  32           HG1      THR  32   1.474  -8.023  -7.227
  289   1HG2  THR  32          1HG2      THR  32  -0.461  -6.268  -8.523
  290   2HG2  THR  32          2HG2      THR  32  -1.827  -7.400  -8.338
  291   3HG2  THR  32          3HG2      THR  32  -0.242  -7.997  -8.893
  292    H    TYR  33           H        TYR  33  -2.503  -6.274  -3.819
  293    HA   TYR  33           HA       TYR  33  -0.315  -6.711  -1.826
  294   1HB   TYR  33          1HB       TYR  33  -2.043  -6.410  -0.111
  295   2HB   TYR  33          2HB       TYR  33  -2.234  -5.155  -1.338
  296    HD1  TYR  33           HD1      TYR  33  -4.026  -5.494  -3.092
  297    HD2  TYR  33           HD2      TYR  33  -3.747  -7.949   0.297
  298    HE1  TYR  33           HE1      TYR  33  -6.310  -6.204  -3.418
  299    HE2  TYR  33           HE2      TYR  33  -6.035  -8.651  -0.026
  300    HH   TYR  33           HH       TYR  33  -7.829  -8.491  -1.233
  301    H    ASP  34           H        ASP  34  -0.031  -8.506  -0.571
  302    HA   ASP  34           HA       ASP  34  -1.026 -11.001  -1.885
  303   1HB   ASP  34          2HB       ASP  34   1.339 -10.809  -1.044
  304   2HB   ASP  34          1HB       ASP  34   0.744 -10.605   0.611
  305    H    GLU  35           H        GLU  35  -2.516 -12.355  -1.183
  306    HA   GLU  35           HA       GLU  35  -3.494 -12.248   1.627
  307   1HB   GLU  35          2HB       GLU  35  -4.578 -10.213   0.643
  308   2HB   GLU  35          1HB       GLU  35  -5.249 -11.184  -0.675
  309   1HG   GLU  35          1HG       GLU  35  -6.970 -10.819   1.065
  310   2HG   GLU  35          2HG       GLU  35  -6.578 -12.543   0.967
  311    HE2  GLU  35           HE2      GLU  35  -6.478  -9.728   2.703
  312    H    GLY  36           H        GLY  36  -3.014 -14.418   1.507
  313   1HA   GLY  36          1HA       GLY  36  -4.746 -16.416   1.406
  314   2HA   GLY  36          2HA       GLY  36  -4.899 -16.009  -0.314
  315    H    GLY  37           H        GLY  37  -2.136 -15.360  -0.731
  316   1HA   GLY  37          2HA       GLY  37  -0.035 -16.519  -1.155
  317   2HA   GLY  37          1HA       GLY  37  -0.513 -17.720   0.066
  318    H    GLY  38           H        GLY  38  -2.068 -16.608  -2.939
  319   1HA   GLY  38          2HA       GLY  38  -1.430 -18.750  -4.680
  320   2HA   GLY  38          1HA       GLY  38  -2.682 -19.455  -3.634
  321    H    LYS  39           H        LYS  39  -3.632 -16.492  -3.406
  322    HA   LYS  39           HA       LYS  39  -5.186 -16.589  -6.042
  323   1HB   LYS  39          2HB       LYS  39  -6.087 -15.488  -3.309
  324   2HB   LYS  39          1HB       LYS  39  -7.041 -15.420  -4.799
  325   1HG   LYS  39          2HG       LYS  39  -7.002 -17.934  -4.952
  326   2HG   LYS  39          1HG       LYS  39  -6.031 -18.015  -3.473
  327   1HD   LYS  39          2HD       LYS  39  -7.867 -16.818  -2.208
  328   2HD   LYS  39          1HD       LYS  39  -8.848 -16.775  -3.681
  329   1HE   LYS  39          2HE       LYS  39  -7.822 -19.339  -2.298
  330   2HE   LYS  39          1HE       LYS  39  -9.474 -18.704  -2.186
  331   1HZ   LYS  39          1HZ       LYS  39  -9.295 -20.399  -3.909
  332   2HZ   LYS  39          2HZ       LYS  39  -9.673 -18.951  -4.608
  333   3HZ   LYS  39          3HZ       LYS  39  -8.135 -19.544  -4.716
  334    H    THR  40           H        THR  40  -3.709 -14.601  -3.547
  335    HA   THR  40           HA       THR  40  -2.845 -12.377  -3.658
  336    HB   THR  40           HB       THR  40  -2.655 -13.060  -6.648
  337    HG1  THR  40           HG1      THR  40  -1.653 -14.523  -5.226
  338   1HG2  THR  40          1HG2      THR  40  -1.141 -11.016  -4.891
  339   2HG2  THR  40          2HG2      THR  40  -0.774 -11.382  -6.598
  340   3HG2  THR  40          3HG2      THR  40  -2.323 -10.613  -6.167
  341    H    GLY  41           H        GLY  41  -4.476 -11.141  -3.065
  342   1HA   GLY  41          1HA       GLY  41  -6.766 -10.562  -4.860
  343   2HA   GLY  41          2HA       GLY  41  -6.416  -9.700  -3.347
  344    H    ARG  42           H        ARG  42  -7.228  -8.627  -5.895
  345    HA   ARG  42           HA       ARG  42  -4.825  -6.789  -6.283
  346   1HB   ARG  42          1HB       ARG  42  -4.931  -8.378  -8.214
  347   2HB   ARG  42          2HB       ARG  42  -6.628  -7.957  -8.494
  348   1HG   ARG  42          1HG       ARG  42  -5.973  -5.559  -8.908
  349   2HG   ARG  42          2HG       ARG  42  -4.273  -5.972  -8.627
  350   1HD   ARG  42          1HD       ARG  42  -4.359  -7.626 -10.537
  351   2HD   ARG  42          2HD       ARG  42  -6.060  -7.212 -10.817
  352    HE   ARG  42           HE       ARG  42  -4.502  -4.735 -10.933
  353   1HH1  ARG  42          2HH2      ARG  42  -5.041  -7.803 -12.464
  354   2HH1  ARG  42          1HH2      ARG  42  -4.620  -7.145 -14.124
  355   1HH2  ARG  42          1HH1      ARG  42  -4.009  -3.963 -12.892
  356   2HH2  ARG  42          2HH1      ARG  42  -4.063  -5.069 -14.355
  357    H    GLY  43           H        GLY  43  -5.339  -4.817  -5.860
  358   1HA   GLY  43          2HA       GLY  43  -8.180  -3.905  -6.527
  359   2HA   GLY  43          1HA       GLY  43  -7.515  -3.551  -4.919
  360    H    ALA  44           H        ALA  44  -7.885  -1.319  -5.544
  361    HA   ALA  44           HA       ALA  44  -5.356  -0.181  -6.613
  362   1HB   ALA  44          1HB       ALA  44  -6.403   1.046  -8.549
  363   2HB   ALA  44          2HB       ALA  44  -6.546  -0.719  -8.768
  364   3HB   ALA  44          3HB       ALA  44  -7.958   0.232  -8.234
  365    H    VAL  45           H        VAL  45  -5.458   2.205  -6.692
  366    HA   VAL  45           HA       VAL  45  -7.716   3.474  -5.236
  367    HB   VAL  45           HB       VAL  45  -6.518   2.358  -3.366
  368   1HG1  VAL  45          1HG2      VAL  45  -4.206   2.329  -4.362
  369   2HG1  VAL  45          2HG2      VAL  45  -4.208   3.073  -2.743
  370   3HG1  VAL  45          3HG2      VAL  45  -4.108   4.104  -4.192
  371   1HG2  VAL  45          1HG1      VAL  45  -7.658   4.561  -2.975
  372   2HG2  VAL  45          2HG1      VAL  45  -6.149   5.423  -3.376
  373   3HG2  VAL  45          3HG1      VAL  45  -6.224   4.383  -1.930
  374    H    SER  46           H        SER  46  -7.807   5.566  -5.684
  375    HA   SER  46           HA       SER  46  -5.946   6.593  -7.721
  376   1HB   SER  46          2HB       SER  46  -7.932   8.155  -5.950
  377   2HB   SER  46          1HB       SER  46  -7.174   8.760  -7.438
  378    HG   SER  46           HG       SER  46  -9.244   7.888  -7.787
  379    H    GLU  47           H        GLU  47  -4.329   8.072  -7.546
  380    HA   GLU  47           HA       GLU  47  -3.195   8.219  -4.735
  381   1HB   GLU  47          1HB       GLU  47  -1.879   7.228  -6.702
  382   2HB   GLU  47          2HB       GLU  47  -1.786   8.852  -7.395
  383   1HG   GLU  47          1HG       GLU  47  -0.632   9.667  -5.289
  384   2HG   GLU  47          2HG       GLU  47  -0.776   8.047  -4.588
  385    H    LYS  48           H        LYS  48  -5.367   9.884  -5.545
  386    HA   LYS  48           HA       LYS  48  -4.145  12.585  -5.989
  387   1HB   LYS  48          2HB       LYS  48  -6.431  12.007  -6.864
  388   2HB   LYS  48          1HB       LYS  48  -7.016  11.781  -5.209
  389   1HG   LYS  48          1HG       LYS  48  -7.601  14.053  -6.056
  390   2HG   LYS  48          2HG       LYS  48  -6.509  14.172  -4.669
  391   1HD   LYS  48          1HD       LYS  48  -4.545  14.422  -6.236
  392   2HD   LYS  48          2HD       LYS  48  -5.636  14.297  -7.625
  393   1HE   LYS  48          1HE       LYS  48  -6.895  16.337  -6.825
  394   2HE   LYS  48          2HE       LYS  48  -5.803  16.462  -5.430
  395   1HZ   LYS  48          1HZ       LYS  48  -4.952  16.593  -8.289
  396   2HZ   LYS  48          2HZ       LYS  48  -5.074  17.881  -7.261
  397   3HZ   LYS  48          3HZ       LYS  48  -3.938  16.712  -6.990
  398    H    ASP  49           H        ASP  49  -5.036  10.503  -3.385
  399    HA   ASP  49           HA       ASP  49  -3.852  12.529  -1.504
  400   1HB   ASP  49          1HB       ASP  49  -6.329  13.060  -1.574
  401   2HB   ASP  49          2HB       ASP  49  -6.691  11.399  -1.076
  402    H    ALA  50           H        ALA  50  -2.501  10.495  -2.099
  403    HA   ALA  50           HA       ALA  50  -3.306   8.091  -0.520
  404   1HB   ALA  50          1HB       ALA  50  -2.025   7.850  -2.676
  405   2HB   ALA  50          2HB       ALA  50  -0.660   8.763  -1.981
  406   3HB   ALA  50          3HB       ALA  50  -1.087   7.161  -1.323
  407    HA   PRO  51           HA       PRO  51  -1.421   9.173   3.377
  408   1HB   PRO  51          2HB       PRO  51   0.141   6.573   2.993
  409   2HB   PRO  51          1HB       PRO  51  -0.723   7.121   4.455
  410   1HG   PRO  51          2HG       PRO  51  -1.899   5.260   2.877
  411   2HG   PRO  51          1HG       PRO  51  -2.882   6.633   3.453
  412   1HD   PRO  51          1HD       PRO  51  -1.634   6.269   0.682
  413   2HD   PRO  51          2HD       PRO  51  -3.256   6.905   1.124
  414    H    LYS  52           H        LYS  52   0.440  10.145   4.094
  415    HA   LYS  52           HA       LYS  52   2.242  10.928   1.905
  416   1HB   LYS  52          1HB       LYS  52   1.580  12.490   3.740
  417   2HB   LYS  52          2HB       LYS  52   2.418  11.484   4.931
  418   1HG   LYS  52          2HG       LYS  52   4.603  11.870   3.742
  419   2HG   LYS  52          1HG       LYS  52   3.775  12.849   2.520
  420   1HD   LYS  52          2HD       LYS  52   3.005  14.446   4.317
  421   2HD   LYS  52          1HD       LYS  52   3.833  13.468   5.540
  422   1HE   LYS  52          1HE       LYS  52   6.035  13.848   4.357
  423   2HE   LYS  52          2HE       LYS  52   5.205  14.825   3.130
  424   1HZ   LYS  52          1HZ       LYS  52   4.494  16.344   4.908
  425   2HZ   LYS  52          2HZ       LYS  52   5.263  15.434   6.051
  426   3HZ   LYS  52          3HZ       LYS  52   6.140  16.214   4.889
  427    H    GLU  53           H        GLU  53   2.380   8.567   4.437
  428    HA   GLU  53           HA       GLU  53   5.296   8.286   4.454
  429   1HB   GLU  53          1HB       GLU  53   3.156   6.150   5.045
  430   2HB   GLU  53          2HB       GLU  53   4.869   6.034   5.474
  431   1HG   GLU  53          1HG       GLU  53   4.651   8.132   6.875
  432   2HG   GLU  53          2HG       GLU  53   2.924   8.207   6.482
  433    H    LEU  54           H        LEU  54   2.742   7.002   2.430
  434    HA   LEU  54           HA       LEU  54   4.552   5.009   1.182
  435   1HB   LEU  54          1HB       LEU  54   1.895   5.132   1.380
  436   2HB   LEU  54          2HB       LEU  54   1.981   6.048  -0.124
  437    HG   LEU  54           HG       LEU  54   3.168   3.235   0.343
  438   1HD1  LEU  54          1HD1      LEU  54   0.666   3.287   0.454
  439   2HD1  LEU  54          2HD1      LEU  54   1.220   2.462  -1.028
  440   3HD1  LEU  54          3HD1      LEU  54   0.603   4.133  -1.115
  441   1HD2  LEU  54          1HD2      LEU  54   3.278   3.160  -2.188
  442   2HD2  LEU  54          2HD2      LEU  54   2.803   4.879  -2.249
  443   3HD2  LEU  54          3HD2      LEU  54   4.359   4.401  -1.511
  444    H    LEU  55           H        LEU  55   3.610   8.337   0.662
  445    HA   LEU  55           HA       LEU  55   4.693   8.427  -2.094
  446   1HB   LEU  55          2HB       LEU  55   4.228  10.721  -0.092
  447   2HB   LEU  55          1HB       LEU  55   4.545  10.930  -1.817
  448    HG   LEU  55           HG       LEU  55   2.137   9.400  -0.655
  449   1HD1  LEU  55          1HD1      LEU  55   0.835  11.417  -1.376
  450   2HD1  LEU  55          2HD1      LEU  55   2.343  12.221  -1.888
  451   3HD1  LEU  55          3HD1      LEU  55   2.066  11.861  -0.163
  452   1HD2  LEU  55          1HD2      LEU  55   2.757   8.612  -2.953
  453   2HD2  LEU  55          2HD2      LEU  55   1.262   9.579  -3.018
  454   3HD2  LEU  55          3HD2      LEU  55   2.810  10.300  -3.533
  455    H    GLN  56           H        GLN  56   5.966   8.915   1.135
  456    HA   GLN  56           HA       GLN  56   8.509  10.036  -0.009
  457   1HB   GLN  56          1HB       GLN  56   7.820   9.165   2.865
  458   2HB   GLN  56          2HB       GLN  56   9.311   9.987   2.378
  459   1HG   GLN  56          2HG       GLN  56   7.946  11.933   1.501
  460   2HG   GLN  56          1HG       GLN  56   6.464  11.130   2.049
  461   1HE2  GLN  56          1HE2      GLN  56   6.468  10.444   4.366
  462   2HE2  GLN  56          2HE2      GLN  56   7.211  11.617   5.564
  463    H    MET  57           H        MET  57   7.162   7.015   0.299
  464    HA   MET  57           HA       MET  57   9.778   5.682   0.973
  465   1HB   MET  57          2HB       MET  57   7.622   4.794   1.897
  466   2HB   MET  57          1HB       MET  57   7.030   4.488   0.257
  467   1HG   MET  57          2HG       MET  57   8.934   2.884  -0.146
  468   2HG   MET  57          1HG       MET  57   9.577   3.230   1.474
  469   1HE   MET  57          1HE       MET  57   8.109  -0.399   1.824
  470   2HE   MET  57          2HE       MET  57   8.893   0.320   0.385
  471   3HE   MET  57          3HE       MET  57   9.547   0.650   2.019
  472    H    LEU  58           H        LEU  58   7.749   6.398  -1.783
  473    HA   LEU  58           HA       LEU  58   9.748   4.801  -3.461
  474   1HB   LEU  58          1HB       LEU  58   6.776   5.335  -4.050
  475   2HB   LEU  58          2HB       LEU  58   7.866   4.377  -5.057
  476    HG   LEU  58           HG       LEU  58   7.122   3.712  -2.139
  477   1HD1  LEU  58          1HD2      LEU  58   5.198   3.490  -3.736
  478   2HD1  LEU  58          2HD2      LEU  58   5.758   1.889  -3.181
  479   3HD1  LEU  58          3HD2      LEU  58   6.198   2.473  -4.808
  480   1HD2  LEU  58          1HD1      LEU  58   8.179   1.484  -2.688
  481   2HD2  LEU  58          2HD1      LEU  58   9.372   2.803  -2.776
  482   3HD2  LEU  58          3HD1      LEU  58   8.686   2.119  -4.275
  483    H    GLU  59           H        GLU  59   9.657   7.682  -2.639
  484    HA   GLU  59           HA       GLU  59   9.929   8.678  -5.504
  485   1HB   GLU  59          2HB       GLU  59   8.667  10.285  -3.195
  486   2HB   GLU  59          1HB       GLU  59   9.035  10.926  -4.800
  487   1HG   GLU  59          2HG       GLU  59   7.077   8.614  -4.217
  488   2HG   GLU  59          1HG       GLU  59   6.621  10.282  -4.597
  489    H    LYS  60           H        LYS  60  12.092   7.893  -4.706
  490    HA   LYS  60           HA       LYS  60  13.451   9.984  -2.973
  491   1HB   LYS  60          1HB       LYS  60  14.557   7.447  -4.321
  492   2HB   LYS  60          2HB       LYS  60  15.515   8.547  -3.320
  493   1HG   LYS  60          1HG       LYS  60  13.923   8.179  -1.391
  494   2HG   LYS  60          2HG       LYS  60  13.017   7.011  -2.361
  495   1HD   LYS  60          1HD       LYS  60  16.011   6.779  -1.651
  496   2HD   LYS  60          2HD       LYS  60  14.702   5.948  -0.801
  497   1HE   LYS  60          1HE       LYS  60  14.041   4.794  -2.960
  498   2HE   LYS  60          2HE       LYS  60  15.405   5.574  -3.783
  499   1HZ   LYS  60          1HZ       LYS  60  16.908   4.504  -2.185
  500   2HZ   LYS  60          2HZ       LYS  60  15.640   3.772  -1.419
  501   3HZ   LYS  60          3HZ       LYS  60  16.005   3.371  -2.980
  502    H    GLN  61           H        GLN  61  13.915  11.771  -3.964
  503    HA   GLN  61           HA       GLN  61  14.900  11.542  -6.850
  504   1HB   GLN  61          2HB       GLN  61  13.441  13.883  -5.478
  505   2HB   GLN  61          1HB       GLN  61  14.083  13.919  -7.129
  506   1HG   GLN  61          1HG       GLN  61  12.614  11.959  -7.746
  507   2HG   GLN  61          2HG       GLN  61  11.956  11.934  -6.099
  508   1HE2  GLN  61          2HE2      GLN  61  10.067  12.823  -5.996
  509   2HE2  GLN  61          1HE2      GLN  61   9.515  14.309  -6.920
  510    H    LYS  62           H        LYS  62  15.109  14.626  -5.481
  511    HA   LYS  62           HA       LYS  62  18.057  14.478  -5.651
  512   1HB   LYS  62          1HB       LYS  62  16.738  16.578  -6.121
  513   2HB   LYS  62          2HB       LYS  62  16.268  16.664  -4.417
  514   1HG   LYS  62          1HG       LYS  62  18.213  18.147  -4.864
  515   2HG   LYS  62          2HG       LYS  62  18.672  16.864  -3.735
  516   1HD   LYS  62          1HD       LYS  62  19.621  15.518  -5.653
  517   2HD   LYS  62          2HD       LYS  62  19.177  16.808  -6.779
  518   1HE   LYS  62          2HE       LYS  62  21.103  17.117  -4.385
  519   2HE   LYS  62          1HE       LYS  62  21.592  16.957  -6.083
  520   1HZ   LYS  62          1HZ       LYS  62  19.897  19.159  -4.992
  521   2HZ   LYS  62          2HZ       LYS  62  21.493  19.284  -5.402
  522   3HZ   LYS  62          3HZ       LYS  62  20.360  19.009  -6.571
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1   0.863   0.315   9.254
    2   2H    ALA   1          2H        ALA   1   0.538   1.424  10.434
    3   3H    ALA   1          3H        ALA   1  -0.524   0.193  10.143
    4    HA   ALA   1           HA       ALA   1  -1.393   2.264   9.220
    5   1HB   ALA   1          1HB       ALA   1   1.212   2.126   7.556
    6   2HB   ALA   1          2HB       ALA   1  -0.096   3.319   7.333
    7   3HB   ALA   1          3HB       ALA   1   0.865   3.320   8.838
    8    H    THR   2           H        THR   2  -3.023   1.500   8.159
    9    HA   THR   2           HA       THR   2  -2.434  -0.402   5.842
   10    HB   THR   2           HB       THR   2  -4.553  -1.630   6.436
   11    HG1  THR   2           HG1      THR   2  -5.470   0.060   7.624
   12   1HG2  THR   2          1HG2      THR   2  -2.472  -1.529   8.719
   13   2HG2  THR   2          2HG2      THR   2  -2.327  -2.505   7.233
   14   3HG2  THR   2          3HG2      THR   2  -3.618  -2.860   8.410
   15    H    VAL   3           H        VAL   3  -3.537  -0.028   4.045
   16    HA   VAL   3           HA       VAL   3  -5.215   2.495   4.057
   17    HB   VAL   3           HB       VAL   3  -4.203   0.719   1.760
   18   1HG1  VAL   3          1HG2      VAL   3  -6.358   1.840   1.130
   19   2HG1  VAL   3          2HG2      VAL   3  -4.994   2.613   0.285
   20   3HG1  VAL   3          3HG2      VAL   3  -5.726   3.407   1.704
   21   1HG2  VAL   3          1HG1      VAL   3  -2.412   2.031   2.926
   22   2HG2  VAL   3          2HG1      VAL   3  -3.371   3.525   2.742
   23   3HG2  VAL   3          3HG1      VAL   3  -2.719   2.699   1.302
   24    H    LYS   4           H        LYS   4  -7.305   2.432   4.154
   25    HA   LYS   4           HA       LYS   4  -8.641  -0.251   3.535
   26   1HB   LYS   4          1HB       LYS   4  -9.515   1.989   5.458
   27   2HB   LYS   4          2HB       LYS   4 -10.450   0.526   5.122
   28   1HG   LYS   4          2HG       LYS   4  -8.498  -0.891   5.899
   29   2HG   LYS   4          1HG       LYS   4  -7.607   0.576   6.322
   30   1HD   LYS   4          1HD       LYS   4 -10.344  -0.242   7.494
   31   2HD   LYS   4          2HD       LYS   4  -8.786  -0.480   8.291
   32   1HE   LYS   4          1HE       LYS   4  -8.390   2.030   8.247
   33   2HE   LYS   4          2HE       LYS   4  -9.997   2.256   7.528
   34   1HZ   LYS   4          1HZ       LYS   4  -9.463   0.941  10.152
   35   2HZ   LYS   4          2HZ       LYS   4 -10.958   1.147   9.480
   36   3HZ   LYS   4          3HZ       LYS   4 -10.072   2.463   9.940
   37    H    PHE   5           H        PHE   5  -9.067   0.107   1.423
   38    HA   PHE   5           HA       PHE   5 -10.599   2.629   0.735
   39   1HB   PHE   5          1HB       PHE   5 -10.436   1.830  -1.634
   40   2HB   PHE   5          2HB       PHE   5  -8.860   2.016  -0.861
   41    HD1  PHE   5           HD1      PHE   5 -11.327  -0.431  -2.011
   42    HD2  PHE   5           HD2      PHE   5  -7.481   0.138  -0.439
   43    HE1  PHE   5           HE1      PHE   5 -10.755  -2.711  -2.581
   44    HE2  PHE   5           HE2      PHE   5  -6.911  -2.137  -1.015
   45    HZ   PHE   5           HZ       PHE   5  -8.548  -3.566  -2.080
   46    H    LYS   6           H        LYS   6 -12.682   2.691   0.370
   47    HA   LYS   6           HA       LYS   6 -14.161   0.060   0.819
   48   1HB   LYS   6          1HB       LYS   6 -15.186   2.951   1.110
   49   2HB   LYS   6          2HB       LYS   6 -16.081   1.484   1.535
   50   1HG   LYS   6          1HG       LYS   6 -14.287   0.896   3.227
   51   2HG   LYS   6          2HG       LYS   6 -13.416   2.379   2.805
   52   1HD   LYS   6          2HD       LYS   6 -15.416   3.755   3.486
   53   2HD   LYS   6          1HD       LYS   6 -16.310   2.277   3.870
   54   1HE   LYS   6          2HE       LYS   6 -15.354   3.229   5.948
   55   2HE   LYS   6          1HE       LYS   6 -14.584   1.668   5.606
   56   1HZ   LYS   6          1HZ       LYS   6 -12.718   2.881   4.593
   57   2HZ   LYS   6          2HZ       LYS   6 -12.942   3.368   6.156
   58   3HZ   LYS   6          3HZ       LYS   6 -13.437   4.334   4.911
   59    H    TYR   7           H        TYR   7 -16.560   0.497  -0.107
   60    HA   TYR   7           HA       TYR   7 -16.284   1.610  -2.905
   61   1HB   TYR   7          2HB       TYR   7 -15.592  -0.793  -3.060
   62   2HB   TYR   7          1HB       TYR   7 -17.113  -1.300  -2.320
   63    HD1  TYR   7           HD1      TYR   7 -18.767  -1.922  -3.780
   64    HD2  TYR   7           HD2      TYR   7 -15.996   0.944  -5.082
   65    HE1  TYR   7           HE1      TYR   7 -19.827  -1.882  -5.953
   66    HE2  TYR   7           HE2      TYR   7 -17.057   0.983  -7.253
   67    HH   TYR   7           HH       TYR   7 -18.636   0.199  -8.514
   68    H    LYS   8           H        LYS   8 -18.654  -0.652  -1.564
   69    HA   LYS   8           HA       LYS   8 -20.649   1.653  -1.782
   70   1HB   LYS   8          2HB       LYS   8 -21.109  -0.231  -3.374
   71   2HB   LYS   8          1HB       LYS   8 -21.111  -1.380  -2.039
   72   1HG   LYS   8          1HG       LYS   8 -23.425  -0.810  -2.662
   73   2HG   LYS   8          2HG       LYS   8 -23.083  -0.293  -1.015
   74   1HD   LYS   8          2HD       LYS   8 -24.357   1.440  -2.107
   75   2HD   LYS   8          1HD       LYS   8 -22.747   2.090  -1.829
   76   1HE   LYS   8          2HE       LYS   8 -23.576   0.807  -4.512
   77   2HE   LYS   8          1HE       LYS   8 -23.862   2.515  -4.146
   78   1HZ   LYS   8          1HZ       LYS   8 -21.185   1.216  -4.126
   79   2HZ   LYS   8          2HZ       LYS   8 -21.476   2.805  -3.781
   80   3HZ   LYS   8          3HZ       LYS   8 -21.765   2.223  -5.300
   81    H    GLY   9           H        GLY   9 -20.884  -1.524  -0.247
   82   1HA   GLY   9          2HA       GLY   9 -21.167  -0.028   2.415
   83   2HA   GLY   9          1HA       GLY   9 -22.282  -1.335   1.975
   84    H    GLU  10           H        GLU  10 -18.938  -1.510   1.045
   85    HA   GLU  10           HA       GLU  10 -18.488  -3.476   3.342
   86   1HB   GLU  10          1HB       GLU  10 -17.566  -3.814   0.419
   87   2HB   GLU  10          2HB       GLU  10 -17.173  -4.914   1.745
   88   1HG   GLU  10          1HG       GLU  10 -20.017  -4.301   0.717
   89   2HG   GLU  10          2HG       GLU  10 -19.088  -5.767   0.379
   90    H    GLU  11           H        GLU  11 -16.028  -4.038   3.332
   91    HA   GLU  11           HA       GLU  11 -14.368  -1.702   2.489
   92   1HB   GLU  11          1HB       GLU  11 -13.609  -1.024   4.689
   93   2HB   GLU  11          2HB       GLU  11 -15.366  -0.892   4.640
   94   1HG   GLU  11          2HG       GLU  11 -13.809  -3.254   5.886
   95   2HG   GLU  11          1HG       GLU  11 -14.464  -1.885   6.784
   96    H    LEU  12           H        LEU  12 -12.356  -2.220   2.136
   97    HA   LEU  12           HA       LEU  12 -11.493  -4.989   3.123
   98   1HB   LEU  12          1HB       LEU  12 -10.824  -3.603   0.445
   99   2HB   LEU  12          2HB       LEU  12  -9.986  -5.025   1.063
  100    HG   LEU  12           HG       LEU  12 -12.336  -6.156   1.244
  101   1HD1  LEU  12          1HD2      LEU  12 -13.945  -5.342  -0.534
  102   2HD1  LEU  12          2HD2      LEU  12 -13.768  -4.142   0.767
  103   3HD1  LEU  12          3HD2      LEU  12 -12.929  -3.900  -0.789
  104   1HD2  LEU  12          1HD1      LEU  12 -12.112  -6.883  -1.144
  105   2HD2  LEU  12          2HD1      LEU  12 -10.512  -6.770  -0.361
  106   3HD2  LEU  12          3HD1      LEU  12 -11.051  -5.489  -1.479
  107    H    GLN  13           H        GLN  13  -9.094  -5.194   3.144
  108    HA   GLN  13           HA       GLN  13  -7.741  -2.539   3.619
  109   1HB   GLN  13          1HB       GLN  13  -6.882  -3.115   5.818
  110   2HB   GLN  13          2HB       GLN  13  -8.641  -3.206   5.862
  111   1HG   GLN  13          1HG       GLN  13  -6.761  -5.638   5.544
  112   2HG   GLN  13          2HG       GLN  13  -7.471  -5.098   7.066
  113   1HE2  GLN  13          2HE2      GLN  13  -9.939  -4.657   6.829
  114   2HE2  GLN  13          1HE2      GLN  13 -10.860  -6.053   6.074
  115    H    VAL  14           H        VAL  14  -5.749  -2.496   2.954
  116    HA   VAL  14           HA       VAL  14  -4.468  -5.197   2.313
  117    HB   VAL  14           HB       VAL  14  -3.520  -4.114   0.253
  118   1HG1  VAL  14          1HG1      VAL  14  -5.649  -4.171  -1.057
  119   2HG1  VAL  14          2HG1      VAL  14  -6.598  -4.036   0.448
  120   3HG1  VAL  14          3HG1      VAL  14  -5.615  -5.492   0.141
  121   1HG2  VAL  14          1HG2      VAL  14  -3.662  -1.716   1.012
  122   2HG2  VAL  14          2HG2      VAL  14  -4.490  -1.958  -0.547
  123   3HG2  VAL  14          3HG2      VAL  14  -5.443  -1.800   0.949
  124    H    ASP  15           H        ASP  15  -2.305  -5.352   2.525
  125    HA   ASP  15           HA       ASP  15  -1.133  -3.266   4.354
  126   1HB   ASP  15          2HB       ASP  15  -0.857  -5.726   4.832
  127   2HB   ASP  15          1HB       ASP  15   0.030  -5.926   3.313
  128    H    ILE  16           H        ILE  16   0.625  -2.034   3.899
  129    HA   ILE  16           HA       ILE  16   0.931  -1.354   1.036
  130    HB   ILE  16           HB       ILE  16   2.533  -0.449   3.504
  131   1HG1  ILE  16          1HG1      ILE  16   1.394   1.782   2.792
  132   2HG1  ILE  16          2HG1      ILE  16   0.292   0.811   1.816
  133   1HG2  ILE  16          1HG2      ILE  16   3.962  -0.306   1.464
  134   2HG2  ILE  16          2HG2      ILE  16   3.442   1.323   1.959
  135   3HG2  ILE  16          3HG2      ILE  16   2.650   0.519   0.578
  136   1HD1  ILE  16          1HD1      ILE  16   0.724   0.484   4.870
  137   2HD1  ILE  16          2HD1      ILE  16  -0.638   1.354   4.118
  138   3HD1  ILE  16          3HD1      ILE  16  -0.481  -0.405   3.898
  139    H    SER  17           H        SER  17   2.758  -3.171   3.429
  140    HA   SER  17           HA       SER  17   5.026  -3.498   1.514
  141   1HB   SER  17          1HB       SER  17   4.479  -4.899   4.205
  142   2HB   SER  17          2HB       SER  17   6.012  -4.946   3.312
  143    HG   SER  17           HG       SER  17   4.689  -2.619   4.273
  144    H    LYS  18           H        LYS  18   2.030  -4.907   1.838
  145    HA   LYS  18           HA       LYS  18   3.025  -7.638   1.000
  146   1HB   LYS  18          2HB       LYS  18   1.154  -7.458   2.649
  147   2HB   LYS  18          1HB       LYS  18   0.173  -6.575   1.468
  148   1HG   LYS  18          2HG       LYS  18   0.343  -8.540  -0.121
  149   2HG   LYS  18          1HG       LYS  18   1.255  -9.441   1.092
  150   1HD   LYS  18          2HD       LYS  18  -1.607  -8.342   1.460
  151   2HD   LYS  18          1HD       LYS  18  -1.208 -10.015   1.056
  152   1HE   LYS  18          1HE       LYS  18  -0.391  -8.556   3.652
  153   2HE   LYS  18          2HE       LYS  18  -1.657  -9.785   3.492
  154   1HZ   LYS  18          1HZ       LYS  18   0.049 -11.373   2.768
  155   2HZ   LYS  18          2HZ       LYS  18   0.433 -10.755   4.252
  156   3HZ   LYS  18          3HZ       LYS  18   1.234 -10.230   2.906
  157    H    ILE  19           H        ILE  19   2.510  -4.768  -0.480
  158    HA   ILE  19           HA       ILE  19   1.034  -5.858  -2.848
  159    HB   ILE  19           HB       ILE  19   2.562  -3.211  -2.518
  160   1HG1  ILE  19          2HG1      ILE  19  -0.411  -3.951  -2.164
  161   2HG1  ILE  19          1HG1      ILE  19   0.705  -3.491  -0.875
  162   1HG2  ILE  19          1HG2      ILE  19   1.223  -2.506  -4.523
  163   2HG2  ILE  19          2HG2      ILE  19   0.452  -4.113  -4.589
  164   3HG2  ILE  19          3HG2      ILE  19   2.196  -3.938  -4.914
  165   1HD1  ILE  19          1HD1      ILE  19  -0.211  -1.657  -3.190
  166   2HD1  ILE  19          2HD1      ILE  19  -0.676  -1.530  -1.478
  167   3HD1  ILE  19          3HD1      ILE  19   1.007  -1.204  -1.967
  168    H    LYS  20           H        LYS  20   1.897  -6.864  -4.468
  169    HA   LYS  20           HA       LYS  20   4.911  -6.533  -4.886
  170   1HB   LYS  20          2HB       LYS  20   3.255  -9.107  -5.251
  171   2HB   LYS  20          1HB       LYS  20   4.982  -8.950  -5.584
  172   1HG   LYS  20          1HG       LYS  20   3.672  -8.554  -2.816
  173   2HG   LYS  20          2HG       LYS  20   4.491 -10.020  -3.359
  174   1HD   LYS  20          2HD       LYS  20   6.620  -8.693  -3.715
  175   2HD   LYS  20          1HD       LYS  20   5.811  -7.249  -3.084
  176   1HE   LYS  20          1HE       LYS  20   5.350  -8.450  -0.912
  177   2HE   LYS  20          2HE       LYS  20   6.155  -9.901  -1.543
  178   1HZ   LYS  20          1HZ       LYS  20   8.195  -8.576  -1.806
  179   2HZ   LYS  20          2HZ       LYS  20   7.682  -8.542  -0.237
  180   3HZ   LYS  20          3HZ       LYS  20   7.446  -7.229  -1.211
  181    H    LYS  21           H        LYS  21   5.630  -6.771  -6.993
  182    HA   LYS  21           HA       LYS  21   5.473  -6.289  -9.330
  183   1HB   LYS  21          2HB       LYS  21   2.823  -7.821  -9.035
  184   2HB   LYS  21          1HB       LYS  21   3.632  -7.452 -10.564
  185   1HG   LYS  21          2HG       LYS  21   5.697  -8.684  -9.741
  186   2HG   LYS  21          1HG       LYS  21   4.824  -9.148  -8.278
  187   1HD   LYS  21          2HD       LYS  21   3.976  -9.840 -11.163
  188   2HD   LYS  21          1HD       LYS  21   4.809 -10.938 -10.058
  189   1HE   LYS  21          2HE       LYS  21   2.006  -9.730  -9.601
  190   2HE   LYS  21          1HE       LYS  21   2.361 -11.397 -10.080
  191   1HZ   LYS  21          1HZ       LYS  21   3.589 -11.679  -7.987
  192   2HZ   LYS  21          2HZ       LYS  21   2.031 -11.219  -7.687
  193   3HZ   LYS  21          3HZ       LYS  21   3.259 -10.125  -7.535
  194    H    VAL  22           H        VAL  22   5.351  -4.135  -9.249
  195    HA   VAL  22           HA       VAL  22   2.508  -3.047  -9.550
  196    HB   VAL  22           HB       VAL  22   3.302  -0.907  -8.550
  197   1HG1  VAL  22          1HG1      VAL  22   2.278  -2.666  -7.070
  198   2HG1  VAL  22          2HG1      VAL  22   3.504  -1.712  -6.194
  199   3HG1  VAL  22          3HG1      VAL  22   3.897  -3.355  -6.763
  200   1HG2  VAL  22          1HG2      VAL  22   5.530  -0.813  -7.407
  201   2HG2  VAL  22          2HG2      VAL  22   5.933  -2.438  -8.013
  202   3HG2  VAL  22          3HG2      VAL  22   5.738  -1.080  -9.155
  203    H    TRP  23           H        TRP  23   2.196  -1.482 -11.073
  204    HA   TRP  23           HA       TRP  23   4.568  -0.595 -12.679
  205   1HB   TRP  23          1HB       TRP  23   3.745  -1.489 -14.832
  206   2HB   TRP  23          2HB       TRP  23   4.029  -2.811 -13.696
  207    HD1  TRP  23           HD1      TRP  23   1.171  -0.987 -15.571
  208    HE1  TRP  23           HE1      TRP  23  -1.065  -2.385 -15.381
  209    HE3  TRP  23           HE3      TRP  23   2.834  -4.243 -12.216
  210    HZ2  TRP  23           HZ2      TRP  23  -1.757  -4.592 -13.891
  211    HZ3  TRP  23           HZ3      TRP  23   1.351  -6.010 -11.421
  212    HH2  TRP  23           HH2      TRP  23  -0.909  -6.183 -12.254
  213    H    ARG  24           H        ARG  24   4.189   1.189 -13.895
  214    HA   ARG  24           HA       ARG  24   1.496   2.478 -13.247
  215   1HB   ARG  24          1HB       ARG  24   4.231   3.787 -13.769
  216   2HB   ARG  24          2HB       ARG  24   2.736   4.661 -13.406
  217   1HG   ARG  24          2HG       ARG  24   2.553   3.418 -11.203
  218   2HG   ARG  24          1HG       ARG  24   4.083   2.597 -11.546
  219   1HD   ARG  24          2HD       ARG  24   3.711   5.650 -11.286
  220   2HD   ARG  24          1HD       ARG  24   4.426   4.585 -10.060
  221    HE   ARG  24           HE       ARG  24   5.922   4.202 -12.537
  222   1HH1  ARG  24          2HH1      ARG  24   5.107   6.516 -10.082
  223   2HH1  ARG  24          1HH1      ARG  24   6.706   7.397 -10.254
  224   1HH2  ARG  24          1HH2      ARG  24   7.812   5.247 -12.739
  225   2HH2  ARG  24          2HH2      ARG  24   8.170   6.711 -11.691
  226    H    VAL  25           H        VAL  25   0.216   2.793 -14.843
  227    HA   VAL  25           HA       VAL  25   1.447   3.568 -17.522
  228    HB   VAL  25           HB       VAL  25  -0.387   2.299 -18.694
  229   1HG1  VAL  25          1HG2      VAL  25   1.440   0.614 -16.872
  230   2HG1  VAL  25          2HG2      VAL  25   0.634   0.031 -18.353
  231   3HG1  VAL  25          3HG2      VAL  25   1.883   1.300 -18.456
  232   1HG2  VAL  25          1HG1      VAL  25  -0.911   1.093 -15.898
  233   2HG2  VAL  25          2HG1      VAL  25  -2.015   2.189 -16.773
  234   3HG2  VAL  25          3HG1      VAL  25  -1.662   0.569 -17.426
  235    H    GLY  26           H        GLY  26  -0.718   4.181 -18.922
  236   1HA   GLY  26          1HA       GLY  26  -1.615   6.624 -17.464
  237   2HA   GLY  26          2HA       GLY  26  -2.065   6.209 -19.130
  238    H    LYS  27           H        LYS  27  -2.780   5.758 -15.741
  239    HA   LYS  27           HA       LYS  27  -5.537   5.845 -15.828
  240   1HB   LYS  27          2HB       LYS  27  -5.559   4.167 -17.672
  241   2HB   LYS  27          1HB       LYS  27  -4.696   2.999 -16.654
  242   1HG   LYS  27          2HG       LYS  27  -6.567   3.070 -14.973
  243   2HG   LYS  27          1HG       LYS  27  -7.437   4.237 -15.979
  244   1HD   LYS  27          2HD       LYS  27  -7.506   2.568 -17.868
  245   2HD   LYS  27          1HD       LYS  27  -6.640   1.392 -16.867
  246   1HE   LYS  27          1HE       LYS  27  -9.368   2.653 -16.154
  247   2HE   LYS  27          2HE       LYS  27  -9.142   1.029 -16.830
  248   1HZ   LYS  27          1HZ       LYS  27  -7.807   0.458 -14.867
  249   2HZ   LYS  27          2HZ       LYS  27  -9.311   0.968 -14.412
  250   3HZ   LYS  27          3HZ       LYS  27  -8.011   1.972 -14.237
  251    H    MET  28           H        MET  28  -4.437   6.450 -13.821
  252    HA   MET  28           HA       MET  28  -4.211   6.079 -11.466
  253   1HB   MET  28          2HB       MET  28  -5.874   3.556 -12.040
  254   2HB   MET  28          1HB       MET  28  -5.672   4.350 -10.474
  255   1HG   MET  28          1HG       MET  28  -7.011   5.595 -12.967
  256   2HG   MET  28          2HG       MET  28  -7.841   5.015 -11.511
  257   1HE   MET  28          1HE       MET  28  -8.157   7.933 -12.763
  258   2HE   MET  28          2HE       MET  28  -8.165   8.928 -11.274
  259   3HE   MET  28          3HE       MET  28  -9.031   7.361 -11.309
  260    H    ILE  29           H        ILE  29  -3.761   4.120  -9.855
  261    HA   ILE  29           HA       ILE  29  -1.322   2.771 -11.105
  262    HB   ILE  29           HB       ILE  29  -1.956   3.298  -8.140
  263   1HG1  ILE  29          1HG1      ILE  29  -1.596   5.440  -9.290
  264   2HG1  ILE  29          2HG1      ILE  29  -0.229   5.061  -8.245
  265   1HG2  ILE  29          1HG2      ILE  29   0.480   2.717  -7.822
  266   2HG2  ILE  29          2HG2      ILE  29   0.591   2.279  -9.548
  267   3HG2  ILE  29          3HG2      ILE  29  -0.465   1.347  -8.458
  268   1HD1  ILE  29          1HD1      ILE  29   1.100   4.258 -10.253
  269   2HD1  ILE  29          2HD1      ILE  29   0.567   5.946 -10.435
  270   3HD1  ILE  29          3HD1      ILE  29  -0.282   4.651 -11.312
  271    H    SER  30           H        SER  30  -1.489   0.732 -11.493
  272    HA   SER  30           HA       SER  30  -3.667  -0.804 -10.011
  273   1HB   SER  30          1HB       SER  30  -3.452  -2.482 -11.856
  274   2HB   SER  30          2HB       SER  30  -3.781  -0.864 -12.509
  275    HG   SER  30           HG       SER  30  -2.072  -1.922 -13.573
  276    H    PHE  31           H        PHE  31  -3.184  -2.983  -9.361
  277    HA   PHE  31           HA       PHE  31  -0.356  -3.809  -9.149
  278   1HB   PHE  31          1HB       PHE  31  -0.094  -3.578  -6.691
  279   2HB   PHE  31          2HB       PHE  31  -0.305  -2.002  -7.454
  280    HD1  PHE  31           HD1      PHE  31  -1.849  -4.500  -5.303
  281    HD2  PHE  31           HD2      PHE  31  -2.361  -0.766  -7.141
  282    HE1  PHE  31           HE1      PHE  31  -3.710  -4.033  -3.838
  283    HE2  PHE  31           HE2      PHE  31  -4.220  -0.299  -5.676
  284    HZ   PHE  31           HZ       PHE  31  -4.904  -1.932  -4.019
  285    H    THR  32           H        THR  32  -0.120  -5.680  -7.648
  286    HA   THR  32           HA       THR  32  -2.765  -7.218  -7.573
  287    HB   THR  32           HB       THR  32  -1.471  -9.279  -8.180
  288    HG1  THR  32           HG1      THR  32   0.634  -8.939  -8.967
  289   1HG2  THR  32          1HG2      THR  32  -1.120  -6.958 -10.190
  290   2HG2  THR  32          2HG2      THR  32  -1.102  -8.696 -10.589
  291   3HG2  THR  32          3HG2      THR  32  -2.599  -7.934  -9.990
  292    H    TYR  33           H        TYR  33  -2.991  -6.750  -5.411
  293    HA   TYR  33           HA       TYR  33  -0.825  -7.374  -3.491
  294   1HB   TYR  33          1HB       TYR  33  -2.508  -7.097  -1.730
  295   2HB   TYR  33          2HB       TYR  33  -2.713  -5.810  -2.918
  296    HD1  TYR  33           HD1      TYR  33  -4.583  -5.993  -4.562
  297    HD2  TYR  33           HD2      TYR  33  -4.189  -8.714  -1.395
  298    HE1  TYR  33           HE1      TYR  33  -6.885  -6.664  -4.849
  299    HE2  TYR  33           HE2      TYR  33  -6.491  -9.382  -1.683
  300    HH   TYR  33           HH       TYR  33  -8.504  -7.935  -4.167
  301    H    ASP  34           H        ASP  34  -0.510  -9.193  -2.303
  302    HA   ASP  34           HA       ASP  34  -1.654 -11.641  -3.616
  303   1HB   ASP  34          1HB       ASP  34   0.795 -11.500  -3.046
  304   2HB   ASP  34          2HB       ASP  34   0.395 -11.353  -1.328
  305    H    GLU  35           H        GLU  35  -3.024 -13.040  -2.748
  306    HA   GLU  35           HA       GLU  35  -3.704 -12.995   0.127
  307   1HB   GLU  35          1HB       GLU  35  -4.848 -10.886  -0.678
  308   2HB   GLU  35          2HB       GLU  35  -5.765 -11.838  -1.855
  309   1HG   GLU  35          2HG       GLU  35  -6.781 -13.187   0.023
  310   2HG   GLU  35          1HG       GLU  35  -5.828 -12.266   1.201
  311    HE2  GLU  35           HE2      GLU  35  -6.624 -10.661   1.968
  312    H    GLY  36           H        GLY  36  -3.053 -15.147  -0.536
  313   1HA   GLY  36          1HA       GLY  36  -5.070 -17.080  -0.552
  314   2HA   GLY  36          2HA       GLY  36  -5.037 -16.620  -2.268
  315    H    GLY  37           H        GLY  37  -2.219 -16.038  -2.336
  316   1HA   GLY  37          2HA       GLY  37  -0.076 -17.324  -2.079
  317   2HA   GLY  37          1HA       GLY  37  -1.029 -18.786  -1.758
  318    H    GLY  38           H        GLY  38  -2.829 -17.663  -4.066
  319   1HA   GLY  38          1HA       GLY  38  -1.067 -18.003  -6.446
  320   2HA   GLY  38          2HA       GLY  38  -2.000 -19.475  -6.108
  321    H    LYS  39           H        LYS  39  -3.031 -16.151  -5.501
  322    HA   LYS  39           HA       LYS  39  -4.840 -16.308  -7.924
  323   1HB   LYS  39          2HB       LYS  39  -6.120 -17.369  -6.043
  324   2HB   LYS  39          1HB       LYS  39  -5.868 -15.928  -5.044
  325   1HG   LYS  39          2HG       LYS  39  -7.077 -14.527  -6.763
  326   2HG   LYS  39          1HG       LYS  39  -7.326 -15.967  -7.761
  327   1HD   LYS  39          1HD       LYS  39  -8.610 -17.053  -5.879
  328   2HD   LYS  39          2HD       LYS  39  -8.331 -15.631  -4.863
  329   1HE   LYS  39          1HE       LYS  39 -10.584 -15.490  -5.885
  330   2HE   LYS  39          2HE       LYS  39  -9.563 -14.187  -6.523
  331   1HZ   LYS  39          1HZ       LYS  39 -10.080 -16.790  -7.892
  332   2HZ   LYS  39          2HZ       LYS  39  -9.129 -15.579  -8.488
  333   3HZ   LYS  39          3HZ       LYS  39 -10.752 -15.337  -8.300
  334    H    THR  40           H        THR  40  -3.724 -14.540  -5.091
  335    HA   THR  40           HA       THR  40  -3.416 -12.202  -4.759
  336    HB   THR  40           HB       THR  40  -2.348 -10.992  -6.584
  337    HG1  THR  40           HG1      THR  40  -3.748 -11.656  -8.220
  338   1HG2  THR  40          1HG2      THR  40  -0.506 -12.571  -7.134
  339   2HG2  THR  40          2HG2      THR  40  -1.515 -13.962  -6.662
  340   3HG2  THR  40          3HG2      THR  40  -0.996 -12.778  -5.432
  341    H    GLY  41           H        GLY  41  -3.897 -10.001  -6.223
  342   1HA   GLY  41          2HA       GLY  41  -6.725 -10.161  -7.251
  343   2HA   GLY  41          1HA       GLY  41  -6.571  -9.335  -5.686
  344    H    ARG  42           H        ARG  42  -7.119  -8.596  -8.638
  345    HA   ARG  42           HA       ARG  42  -4.937  -6.506  -8.940
  346   1HB   ARG  42          1HB       ARG  42  -5.565  -7.899 -10.930
  347   2HB   ARG  42          2HB       ARG  42  -7.236  -7.326 -10.821
  348   1HG   ARG  42          2HG       ARG  42  -6.478  -4.965 -11.227
  349   2HG   ARG  42          1HG       ARG  42  -4.787  -5.491 -11.224
  350   1HD   ARG  42          2HD       ARG  42  -5.590  -5.268 -13.556
  351   2HD   ARG  42          1HD       ARG  42  -5.227  -6.970 -13.210
  352    HE   ARG  42           HE       ARG  42  -8.061  -6.513 -12.637
  353   1HH1  ARG  42          1HH2      ARG  42  -5.663  -6.575 -15.146
  354   2HH1  ARG  42          2HH2      ARG  42  -6.876  -7.109 -16.415
  355   1HH2  ARG  42          1HH1      ARG  42  -9.491  -7.145 -14.141
  356   2HH2  ARG  42          2HH1      ARG  42  -8.946  -7.418 -15.871
  357    H    GLY  43           H        GLY  43  -5.360  -4.350  -8.995
  358   1HA   GLY  43          2HA       GLY  43  -8.170  -3.374  -8.666
  359   2HA   GLY  43          1HA       GLY  43  -7.225  -3.255  -7.166
  360    H    ALA  44           H        ALA  44  -7.870  -0.932  -7.728
  361    HA   ALA  44           HA       ALA  44  -5.385   0.342  -8.749
  362   1HB   ALA  44          1HB       ALA  44  -6.567  -0.140 -10.921
  363   2HB   ALA  44          2HB       ALA  44  -6.484   1.617 -10.624
  364   3HB   ALA  44          3HB       ALA  44  -8.008   0.736 -10.339
  365    H    VAL  45           H        VAL  45  -5.305   2.561  -8.359
  366    HA   VAL  45           HA       VAL  45  -7.652   3.904  -7.131
  367    HB   VAL  45           HB       VAL  45  -6.944   2.409  -5.278
  368   1HG1  VAL  45          1HG2      VAL  45  -4.504   2.215  -5.855
  369   2HG1  VAL  45          2HG2      VAL  45  -4.258   3.924  -5.408
  370   3HG1  VAL  45          3HG2      VAL  45  -4.731   2.738  -4.167
  371   1HG2  VAL  45          1HG1      VAL  45  -6.272   5.374  -4.752
  372   2HG2  VAL  45          2HG1      VAL  45  -6.724   4.168  -3.519
  373   3HG2  VAL  45          3HG1      VAL  45  -7.910   4.666  -4.754
  374    H    SER  46           H        SER  46  -7.444   6.033  -7.247
  375    HA   SER  46           HA       SER  46  -5.205   7.072  -8.820
  376   1HB   SER  46          1HB       SER  46  -6.202   9.324  -8.379
  377   2HB   SER  46          2HB       SER  46  -7.463   8.153  -8.817
  378    HG   SER  46           HG       SER  46  -7.828   7.844  -6.575
  379    H    GLU  47           H        GLU  47  -3.539   8.408  -8.249
  380    HA   GLU  47           HA       GLU  47  -2.562   7.855  -5.461
  381   1HB   GLU  47          1HB       GLU  47  -0.400   8.772  -6.257
  382   2HB   GLU  47          2HB       GLU  47  -1.012   7.542  -7.371
  383   1HG   GLU  47          1HG       GLU  47  -1.935   9.363  -8.871
  384   2HG   GLU  47          2HG       GLU  47  -1.311  10.591  -7.758
  385    H    LYS  48           H        LYS  48  -4.431  10.170  -6.867
  386    HA   LYS  48           HA       LYS  48  -3.202  12.523  -5.528
  387   1HB   LYS  48          2HB       LYS  48  -4.655  12.754  -7.556
  388   2HB   LYS  48          1HB       LYS  48  -6.037  12.109  -6.660
  389   1HG   LYS  48          1HG       LYS  48  -5.953  14.047  -5.072
  390   2HG   LYS  48          2HG       LYS  48  -4.471  14.633  -5.835
  391   1HD   LYS  48          1HD       LYS  48  -6.354  15.932  -6.698
  392   2HD   LYS  48          2HD       LYS  48  -5.685  14.955  -8.010
  393   1HE   LYS  48          1HE       LYS  48  -8.174  14.881  -8.031
  394   2HE   LYS  48          2HE       LYS  48  -7.526  13.263  -7.716
  395   1HZ   LYS  48          1HZ       LYS  48  -9.305  13.828  -6.166
  396   2HZ   LYS  48          2HZ       LYS  48  -7.892  13.652  -5.327
  397   3HZ   LYS  48          3HZ       LYS  48  -8.494  15.161  -5.625
  398    H    ASP  49           H        ASP  49  -5.508  10.033  -4.739
  399    HA   ASP  49           HA       ASP  49  -5.984  11.465  -2.085
  400   1HB   ASP  49          1HB       ASP  49  -8.025  10.808  -3.435
  401   2HB   ASP  49          2HB       ASP  49  -7.534   9.110  -3.331
  402    H    ALA  50           H        ALA  50  -3.541  10.414  -2.480
  403    HA   ALA  50           HA       ALA  50  -3.672   7.775  -0.955
  404   1HB   ALA  50          1HB       ALA  50  -1.383   8.996  -2.645
  405   2HB   ALA  50          2HB       ALA  50  -1.313   7.415  -1.825
  406   3HB   ALA  50          3HB       ALA  50  -2.464   7.676  -3.161
  407    HA   PRO  51           HA       PRO  51  -2.004  10.013   2.494
  408   1HB   PRO  51          2HB       PRO  51  -0.580   8.046   3.835
  409   2HB   PRO  51          1HB       PRO  51  -2.358   8.002   3.681
  410   1HG   PRO  51          2HG       PRO  51  -0.307   6.561   1.926
  411   2HG   PRO  51          1HG       PRO  51  -1.724   5.847   2.742
  412   1HD   PRO  51          1HD       PRO  51  -1.822   6.605   0.089
  413   2HD   PRO  51          2HD       PRO  51  -3.253   6.866   1.146
  414    H    LYS  52           H        LYS  52   0.026  10.682   3.499
  415    HA   LYS  52           HA       LYS  52   1.888  11.373   1.333
  416   1HB   LYS  52          1HB       LYS  52   2.168  11.728   4.374
  417   2HB   LYS  52          2HB       LYS  52   3.215  12.516   3.195
  418   1HG   LYS  52          2HG       LYS  52   0.205  12.925   2.897
  419   2HG   LYS  52          1HG       LYS  52   1.013  13.684   4.264
  420   1HD   LYS  52          1HD       LYS  52   1.000  15.296   2.468
  421   2HD   LYS  52          2HD       LYS  52   2.667  14.790   2.747
  422   1HE   LYS  52          1HE       LYS  52   2.175  14.930   0.312
  423   2HE   LYS  52          2HE       LYS  52   2.558  13.259   0.761
  424   1HZ   LYS  52          1HZ       LYS  52  -0.199  14.369   0.461
  425   2HZ   LYS  52          2HZ       LYS  52   0.562  13.375  -0.618
  426   3HZ   LYS  52          3HZ       LYS  52   0.153  12.809   0.880
  427    H    GLU  53           H        GLU  53   1.856   8.951   3.841
  428    HA   GLU  53           HA       GLU  53   4.737   8.469   3.786
  429   1HB   GLU  53          2HB       GLU  53   3.217   7.663   5.616
  430   2HB   GLU  53          1HB       GLU  53   2.433   6.547   4.489
  431   1HG   GLU  53          1HG       GLU  53   4.127   5.342   5.837
  432   2HG   GLU  53          2HG       GLU  53   4.610   5.340   4.135
  433    H    LEU  54           H        LEU  54   2.058   7.282   1.845
  434    HA   LEU  54           HA       LEU  54   3.781   5.202   0.603
  435   1HB   LEU  54          1HB       LEU  54   1.175   5.286   0.910
  436   2HB   LEU  54          2HB       LEU  54   1.138   6.260  -0.556
  437    HG   LEU  54           HG       LEU  54   2.422   3.461  -0.321
  438   1HD1  LEU  54          1HD1      LEU  54  -0.335   4.316  -1.405
  439   2HD1  LEU  54          2HD1      LEU  54   0.338   2.664  -1.454
  440   3HD1  LEU  54          3HD1      LEU  54  -0.044   3.426   0.114
  441   1HD2  LEU  54          1HD2      LEU  54   2.194   3.472  -2.847
  442   2HD2  LEU  54          2HD2      LEU  54   1.675   5.177  -2.781
  443   3HD2  LEU  54          3HD2      LEU  54   3.326   4.719  -2.277
  444    H    LEU  55           H        LEU  55   2.794   8.514  -0.068
  445    HA   LEU  55           HA       LEU  55   3.935   8.373  -2.824
  446   1HB   LEU  55          2HB       LEU  55   3.101  10.821  -1.152
  447   2HB   LEU  55          1HB       LEU  55   3.474  10.850  -2.878
  448    HG   LEU  55           HG       LEU  55   1.205   9.203  -1.602
  449   1HD1  LEU  55          1HD1      LEU  55   1.159  11.838  -3.208
  450   2HD1  LEU  55          2HD1      LEU  55  -0.276  10.937  -2.650
  451   3HD1  LEU  55          3HD1      LEU  55   0.829  11.679  -1.462
  452   1HD2  LEU  55          1HD2      LEU  55   1.922   9.779  -4.552
  453   2HD2  LEU  55          2HD2      LEU  55   2.026   8.190  -3.744
  454   3HD2  LEU  55          3HD2      LEU  55   0.439   8.959  -3.998
  455    H    GLN  56           H        GLN  56   5.028   9.184   0.361
  456    HA   GLN  56           HA       GLN  56   7.502  10.464  -0.844
  457   1HB   GLN  56          1HB       GLN  56   6.636  10.125   2.093
  458   2HB   GLN  56          2HB       GLN  56   8.099  10.967   1.565
  459   1HG   GLN  56          1HG       GLN  56   5.220  11.756   0.778
  460   2HG   GLN  56          2HG       GLN  56   6.204  12.557   2.010
  461   1HE2  GLN  56          2HE2      GLN  56   5.068  13.561  -0.473
  462   2HE2  GLN  56          1HE2      GLN  56   6.488  14.224  -1.429
  463    H    MET  57           H        MET  57   6.687   7.566  -0.902
  464    HA   MET  57           HA       MET  57   9.265   6.541   0.386
  465   1HB   MET  57          1HB       MET  57   7.162   5.556   1.347
  466   2HB   MET  57          2HB       MET  57   6.670   5.014  -0.260
  467   1HG   MET  57          2HG       MET  57   7.757   3.147   1.012
  468   2HG   MET  57          1HG       MET  57   8.704   3.553  -0.431
  469   1HE   MET  57          1HE       MET  57   8.332   5.359   3.161
  470   2HE   MET  57          2HE       MET  57   9.745   4.623   3.974
  471   3HE   MET  57          3HE       MET  57   8.391   3.589   3.423
  472    H    LEU  58           H        LEU  58   7.300   6.809  -2.464
  473    HA   LEU  58           HA       LEU  58   9.534   5.341  -3.952
  474   1HB   LEU  58          1HB       LEU  58   6.539   5.440  -4.650
  475   2HB   LEU  58          2HB       LEU  58   7.773   4.589  -5.581
  476    HG   LEU  58           HG       LEU  58   7.068   3.982  -2.646
  477   1HD1  LEU  58          1HD2      LEU  58   5.962   1.948  -3.604
  478   2HD1  LEU  58          2HD2      LEU  58   5.208   3.436  -4.237
  479   3HD1  LEU  58          3HD2      LEU  58   6.341   2.508  -5.256
  480   1HD2  LEU  58          1HD1      LEU  58   8.844   2.490  -4.688
  481   2HD2  LEU  58          2HD1      LEU  58   9.425   3.336  -3.228
  482   3HD2  LEU  58          3HD1      LEU  58   8.407   1.883  -3.070
  483    H    GLU  59           H        GLU  59   7.400   8.123  -3.893
  484    HA   GLU  59           HA       GLU  59   8.204   8.779  -6.705
  485   1HB   GLU  59          2HB       GLU  59   6.527  10.416  -4.711
  486   2HB   GLU  59          1HB       GLU  59   6.717  10.764  -6.433
  487   1HG   GLU  59          2HG       GLU  59   5.711   8.502  -6.991
  488   2HG   GLU  59          1HG       GLU  59   5.475   8.191  -5.263
  489    H    LYS  60           H        LYS  60  10.499   8.822  -5.981
  490    HA   LYS  60           HA       LYS  60  11.355  11.369  -4.627
  491   1HB   LYS  60          2HB       LYS  60  12.771   9.094  -6.087
  492   2HB   LYS  60          1HB       LYS  60  13.578  10.655  -5.989
  493   1HG   LYS  60          1HG       LYS  60  14.339   9.275  -4.161
  494   2HG   LYS  60          2HG       LYS  60  13.461  10.651  -3.502
  495   1HD   LYS  60          1HD       LYS  60  11.932   8.045  -3.962
  496   2HD   LYS  60          2HD       LYS  60  13.099   8.123  -2.639
  497   1HE   LYS  60          2HE       LYS  60  11.982  10.221  -1.760
  498   2HE   LYS  60          1HE       LYS  60  10.724  10.048  -2.998
  499   1HZ   LYS  60          1HZ       LYS  60  10.227   7.832  -2.090
  500   2HZ   LYS  60          2HZ       LYS  60  11.395   8.005  -0.933
  501   3HZ   LYS  60          3HZ       LYS  60  10.070   8.990  -0.921
  502    H    GLN  61           H        GLN  61  10.722  13.124  -5.602
  503    HA   GLN  61           HA       GLN  61  11.332  13.306  -8.593
  504   1HB   GLN  61          1HB       GLN  61   9.006  14.632  -7.065
  505   2HB   GLN  61          2HB       GLN  61   9.391  14.906  -8.770
  506   1HG   GLN  61          2HG       GLN  61   9.080  12.435  -9.234
  507   2HG   GLN  61          1HG       GLN  61   8.652  12.174  -7.534
  508   1HE2  GLN  61          2HE2      GLN  61   6.699  12.814  -6.776
  509   2HE2  GLN  61          1HE2      GLN  61   5.357  13.425  -7.866
  510    H    LYS  62           H        LYS  62  11.904  15.394  -9.341
  511    HA   LYS  62           HA       LYS  62  12.933  17.178  -7.080
  512   1HB   LYS  62          2HB       LYS  62  14.353  16.512  -9.735
  513   2HB   LYS  62          1HB       LYS  62  14.938  17.668  -8.526
  514   1HG   LYS  62          2HG       LYS  62  15.039  15.833  -6.807
  515   2HG   LYS  62          1HG       LYS  62  14.423  14.675  -7.994
  516   1HD   LYS  62          2HD       LYS  62  16.410  15.151  -9.484
  517   2HD   LYS  62          1HD       LYS  62  17.046  16.274  -8.274
  518   1HE   LYS  62          1HE       LYS  62  16.496  13.270  -7.806
  519   2HE   LYS  62          2HE       LYS  62  18.093  13.990  -8.081
  520   1HZ   LYS  62          1HZ       LYS  62  17.782  15.327  -6.067
  521   2HZ   LYS  62          2HZ       LYS  62  17.626  13.721  -5.712
  522   3HZ   LYS  62          3HZ       LYS  62  16.284  14.679  -5.812
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   1.915   0.321   9.540
    2   2H    ALA   1          2H        ALA   1   2.995   1.543   9.276
    3   3H    ALA   1          3H        ALA   1   2.734   0.405   8.107
    4    HA   ALA   1           HA       ALA   1   0.723   2.383   9.070
    5   1HB   ALA   1          1HB       ALA   1   1.008   3.388   6.777
    6   2HB   ALA   1          2HB       ALA   1   2.272   2.185   6.400
    7   3HB   ALA   1          3HB       ALA   1   2.553   3.405   7.672
    8    H    THR   2           H        THR   2  -1.275   2.155   8.247
    9    HA   THR   2           HA       THR   2  -1.705  -0.320   6.504
   10    HB   THR   2           HB       THR   2  -3.861  -0.693   7.750
   11    HG1  THR   2           HG1      THR   2  -4.051   1.427   8.512
   12   1HG2  THR   2          1HG2      THR   2  -2.814  -1.625   9.831
   13   2HG2  THR   2          2HG2      THR   2  -1.784  -1.958   8.414
   14   3HG2  THR   2          3HG2      THR   2  -1.346  -0.652   9.548
   15    H    VAL   3           H        VAL   3  -3.435  -0.222   5.103
   16    HA   VAL   3           HA       VAL   3  -4.470   2.630   4.687
   17    HB   VAL   3           HB       VAL   3  -3.759   0.493   2.593
   18   1HG1  VAL   3          1HG1      VAL   3  -4.291   2.315   0.929
   19   2HG1  VAL   3          2HG1      VAL   3  -4.851   3.364   2.257
   20   3HG1  VAL   3          3HG1      VAL   3  -5.736   1.864   1.869
   21   1HG2  VAL   3          1HG2      VAL   3  -2.481   3.212   3.287
   22   2HG2  VAL   3          2HG2      VAL   3  -2.009   2.174   1.915
   23   3HG2  VAL   3          3HG2      VAL   3  -1.758   1.609   3.588
   24    H    LYS   4           H        LYS   4  -6.568   2.844   4.698
   25    HA   LYS   4           HA       LYS   4  -8.198   0.303   4.937
   26   1HB   LYS   4          2HB       LYS   4  -8.970   3.262   5.298
   27   2HB   LYS   4          1HB       LYS   4 -10.077   1.901   5.536
   28   1HG   LYS   4          2HG       LYS   4  -8.572   0.956   7.310
   29   2HG   LYS   4          1HG       LYS   4  -7.430   2.289   7.067
   30   1HD   LYS   4          1HD       LYS   4  -9.221   3.948   7.693
   31   2HD   LYS   4          2HD       LYS   4 -10.385   2.632   7.887
   32   1HE   LYS   4          2HE       LYS   4  -9.478   3.292  10.106
   33   2HE   LYS   4          1HE       LYS   4  -8.983   1.633   9.725
   34   1HZ   LYS   4          1HZ       LYS   4  -7.115   2.961  10.526
   35   2HZ   LYS   4          2HZ       LYS   4  -7.299   4.063   9.308
   36   3HZ   LYS   4          3HZ       LYS   4  -6.834   2.516   8.959
   37    H    PHE   5           H        PHE   5  -8.862  -0.555   3.149
   38    HA   PHE   5           HA       PHE   5  -9.478   1.290   0.808
   39   1HB   PHE   5          2HB       PHE   5  -7.966  -0.662   0.377
   40   2HB   PHE   5          1HB       PHE   5  -9.211  -1.777   0.962
   41    HD1  PHE   5           HD1      PHE   5 -10.431  -2.786  -0.677
   42    HD2  PHE   5           HD2      PHE   5  -9.023   1.095  -1.402
   43    HE1  PHE   5           HE1      PHE   5 -11.428  -2.836  -2.881
   44    HE2  PHE   5           HE2      PHE   5 -10.019   1.045  -3.607
   45    HZ   PHE   5           HZ       PHE   5 -11.221  -0.922  -4.347
   46    H    LYS   6           H        LYS   6 -11.443   2.076   1.133
   47    HA   LYS   6           HA       LYS   6 -13.592   0.243   2.172
   48   1HB   LYS   6          2HB       LYS   6 -13.476   2.603   2.974
   49   2HB   LYS   6          1HB       LYS   6 -13.648   3.203   1.316
   50   1HG   LYS   6          2HG       LYS   6 -15.888   2.029   1.138
   51   2HG   LYS   6          1HG       LYS   6 -15.746   1.512   2.823
   52   1HD   LYS   6          1HD       LYS   6 -15.727   4.447   1.869
   53   2HD   LYS   6          2HD       LYS   6 -17.143   3.601   2.503
   54   1HE   LYS   6          1HE       LYS   6 -15.919   3.188   4.684
   55   2HE   LYS   6          2HE       LYS   6 -14.530   4.105   4.066
   56   1HZ   LYS   6          1HZ       LYS   6 -15.999   6.033   3.786
   57   2HZ   LYS   6          2HZ       LYS   6 -17.296   5.183   4.356
   58   3HZ   LYS   6          3HZ       LYS   6 -16.023   5.516   5.355
   59    H    TYR   7           H        TYR   7 -15.268  -0.514   1.056
   60    HA   TYR   7           HA       TYR   7 -15.330   0.196  -1.916
   61   1HB   TYR   7          2HB       TYR   7 -14.299  -2.076  -1.488
   62   2HB   TYR   7          1HB       TYR   7 -15.776  -2.581  -0.658
   63    HD1  TYR   7           HD1      TYR   7 -17.390  -3.618  -1.917
   64    HD2  TYR   7           HD2      TYR   7 -14.729  -1.047  -3.889
   65    HE1  TYR   7           HE1      TYR   7 -18.389  -4.210  -4.037
   66    HE2  TYR   7           HE2      TYR   7 -15.726  -1.644  -6.009
   67    HH   TYR   7           HH       TYR   7 -18.395  -3.914  -6.183
   68    H    LYS   8           H        LYS   8 -16.781   0.904   0.681
   69    HA   LYS   8           HA       LYS   8 -19.059   1.426   1.239
   70   1HB   LYS   8          1HB       LYS   8 -20.671   1.602  -0.653
   71   2HB   LYS   8          2HB       LYS   8 -19.123   2.350  -1.083
   72   1HG   LYS   8          2HG       LYS   8 -18.424   0.221  -2.250
   73   2HG   LYS   8          1HG       LYS   8 -19.975  -0.520  -1.823
   74   1HD   LYS   8          2HD       LYS   8 -21.185   1.321  -3.076
   75   2HD   LYS   8          1HD       LYS   8 -19.625   2.019  -3.541
   76   1HE   LYS   8          1HE       LYS   8 -20.578  -0.837  -4.233
   77   2HE   LYS   8          2HE       LYS   8 -20.581   0.541  -5.349
   78   1HZ   LYS   8          1HZ       LYS   8 -18.159   0.689  -5.088
   79   2HZ   LYS   8          2HZ       LYS   8 -18.584  -0.820  -5.608
   80   3HZ   LYS   8          3HZ       LYS   8 -18.150  -0.580  -4.032
   81    H    GLY   9           H        GLY   9 -17.906  -1.293   1.360
   82   1HA   GLY   9          1HA       GLY   9 -20.569  -2.651   1.824
   83   2HA   GLY   9          2HA       GLY   9 -19.471  -3.496   0.712
   84    H    GLU  10           H        GLU  10 -17.042  -3.177   1.758
   85    HA   GLU  10           HA       GLU  10 -17.202  -3.808   4.710
   86   1HB   GLU  10          1HB       GLU  10 -17.534  -5.991   3.488
   87   2HB   GLU  10          2HB       GLU  10 -16.009  -5.745   2.628
   88   1HG   GLU  10          2HG       GLU  10 -14.765  -5.730   4.825
   89   2HG   GLU  10          1HG       GLU  10 -16.295  -5.933   5.697
   90    H    GLU  11           H        GLU  11 -15.456  -3.138   5.763
   91    HA   GLU  11           HA       GLU  11 -13.464  -1.609   4.136
   92   1HB   GLU  11          1HB       GLU  11 -13.603  -2.116   7.173
   93   2HB   GLU  11          2HB       GLU  11 -12.488  -0.994   6.379
   94   1HG   GLU  11          1HG       GLU  11 -14.452   0.283   5.425
   95   2HG   GLU  11          2HG       GLU  11 -15.567  -0.820   6.249
   96    H    LEU  12           H        LEU  12 -12.151  -2.882   3.041
   97    HA   LEU  12           HA       LEU  12 -10.903  -5.252   4.462
   98   1HB   LEU  12          2HB       LEU  12 -10.792  -4.247   1.559
   99   2HB   LEU  12          1HB       LEU  12  -9.644  -5.436   2.171
  100    HG   LEU  12           HG       LEU  12 -11.565  -6.912   2.907
  101   1HD1  LEU  12          1HD1      LEU  12 -13.228  -4.919   1.229
  102   2HD1  LEU  12          2HD1      LEU  12 -13.796  -6.514   1.790
  103   3HD1  LEU  12          3HD1      LEU  12 -13.426  -5.237   2.975
  104   1HD2  LEU  12          1HD2      LEU  12 -10.283  -7.255   0.780
  105   2HD2  LEU  12          2HD2      LEU  12 -11.404  -6.167  -0.082
  106   3HD2  LEU  12          3HD2      LEU  12 -11.994  -7.716   0.574
  107    H    GLN  13           H        GLN  13  -9.349  -4.739   5.780
  108    HA   GLN  13           HA       GLN  13  -7.645  -2.332   5.216
  109   1HB   GLN  13          2HB       GLN  13  -7.515  -4.450   7.454
  110   2HB   GLN  13          1HB       GLN  13  -6.381  -3.107   7.302
  111   1HG   GLN  13          1HG       GLN  13  -8.060  -2.392   8.877
  112   2HG   GLN  13          2HG       GLN  13  -8.315  -1.464   7.398
  113   1HE2  GLN  13          1HE2      GLN  13  -9.235  -4.751   8.497
  114   2HE2  GLN  13          2HE2      GLN  13 -11.022  -4.523   8.154
  115    H    VAL  14           H        VAL  14  -6.313  -2.576   3.586
  116    HA   VAL  14           HA       VAL  14  -4.961  -5.215   3.144
  117    HB   VAL  14           HB       VAL  14  -3.832  -4.065   1.244
  118   1HG1  VAL  14          1HG1      VAL  14  -5.895  -3.601  -0.085
  119   2HG1  VAL  14          2HG1      VAL  14  -6.129  -5.038   0.946
  120   3HG1  VAL  14          3HG1      VAL  14  -6.857  -3.477   1.410
  121   1HG2  VAL  14          1HG2      VAL  14  -5.353  -1.557   2.211
  122   2HG2  VAL  14          2HG2      VAL  14  -3.585  -1.784   2.276
  123   3HG2  VAL  14          3HG2      VAL  14  -4.414  -1.693   0.703
  124    H    ASP  15           H        ASP  15  -2.517  -5.022   2.683
  125    HA   ASP  15           HA       ASP  15  -1.355  -3.584   5.122
  126   1HB   ASP  15          2HB       ASP  15  -1.352  -6.101   5.264
  127   2HB   ASP  15          1HB       ASP  15  -0.424  -6.189   3.759
  128    H    ILE  16           H        ILE  16   0.459  -2.431   4.888
  129    HA   ILE  16           HA       ILE  16   1.068  -1.628   2.085
  130    HB   ILE  16           HB       ILE  16   0.967   0.001   3.985
  131   1HG1  ILE  16          2HG1      ILE  16   3.681  -0.123   2.546
  132   2HG1  ILE  16          1HG1      ILE  16   2.168   0.397   1.793
  133   1HG2  ILE  16          1HG2      ILE  16   3.691  -1.213   4.801
  134   2HG2  ILE  16          2HG2      ILE  16   2.891   0.187   5.556
  135   3HG2  ILE  16          3HG2      ILE  16   2.169  -1.431   5.707
  136   1HD1  ILE  16          1HD1      ILE  16   1.938   2.240   3.533
  137   2HD1  ILE  16          2HD1      ILE  16   3.430   2.395   2.568
  138   3HD1  ILE  16          3HD1      ILE  16   3.509   1.757   4.228
  139    H    SER  17           H        SER  17   2.283  -3.898   4.325
  140    HA   SER  17           HA       SER  17   4.953  -3.956   2.889
  141   1HB   SER  17          2HB       SER  17   3.957  -5.580   5.312
  142   2HB   SER  17          1HB       SER  17   5.614  -5.586   4.677
  143    HG   SER  17           HG       SER  17   4.181  -3.323   5.634
  144    H    LYS  18           H        LYS  18   1.958  -5.172   2.419
  145    HA   LYS  18           HA       LYS  18   3.061  -7.853   1.464
  146   1HB   LYS  18          2HB       LYS  18   0.150  -6.936   1.860
  147   2HB   LYS  18          1HB       LYS  18   0.642  -8.532   1.274
  148   1HG   LYS  18          2HG       LYS  18   1.906  -8.948   3.411
  149   2HG   LYS  18          1HG       LYS  18   1.495  -7.326   3.979
  150   1HD   LYS  18          1HD       LYS  18  -0.059  -8.893   5.015
  151   2HD   LYS  18          2HD       LYS  18  -0.961  -7.898   3.867
  152   1HE   LYS  18          2HE       LYS  18  -1.623 -10.289   3.674
  153   2HE   LYS  18          1HE       LYS  18  -0.873  -9.749   2.164
  154   1HZ   LYS  18          1HZ       LYS  18   1.231 -10.740   2.933
  155   2HZ   LYS  18          2HZ       LYS  18   0.525 -11.244   4.338
  156   3HZ   LYS  18          3HZ       LYS  18   0.034 -11.877   2.895
  157    H    ILE  19           H        ILE  19   2.800  -4.880   0.322
  158    HA   ILE  19           HA       ILE  19   1.437  -5.655  -2.261
  159    HB   ILE  19           HB       ILE  19   2.770  -3.005  -1.462
  160   1HG1  ILE  19          2HG1      ILE  19  -0.161  -3.957  -1.389
  161   2HG1  ILE  19          1HG1      ILE  19   0.852  -3.603   0.012
  162   1HG2  ILE  19          1HG2      ILE  19   2.581  -3.409  -3.953
  163   2HG2  ILE  19          2HG2      ILE  19   0.839  -3.732  -3.763
  164   3HG2  ILE  19          3HG2      ILE  19   1.492  -2.105  -3.432
  165   1HD1  ILE  19          1HD1      ILE  19   1.049  -1.177  -0.757
  166   2HD1  ILE  19          2HD1      ILE  19  -0.630  -1.671  -0.416
  167   3HD1  ILE  19          3HD1      ILE  19  -0.072  -1.541  -2.099
  168    H    LYS  20           H        LYS  20   2.953  -7.262  -2.812
  169    HA   LYS  20           HA       LYS  20   5.728  -6.258  -3.481
  170   1HB   LYS  20          2HB       LYS  20   6.182  -8.606  -4.181
  171   2HB   LYS  20          1HB       LYS  20   5.557  -8.526  -2.527
  172   1HG   LYS  20          1HG       LYS  20   3.225  -8.988  -3.424
  173   2HG   LYS  20          2HG       LYS  20   3.902  -9.213  -5.039
  174   1HD   LYS  20          1HD       LYS  20   4.737 -10.867  -2.565
  175   2HD   LYS  20          2HD       LYS  20   3.483 -11.340  -3.711
  176   1HE   LYS  20          1HE       LYS  20   5.393 -12.513  -4.471
  177   2HE   LYS  20          2HE       LYS  20   5.255 -11.154  -5.598
  178   1HZ   LYS  20          1HZ       LYS  20   7.529 -11.440  -4.800
  179   2HZ   LYS  20          2HZ       LYS  20   7.065 -11.266  -3.223
  180   3HZ   LYS  20          3HZ       LYS  20   6.954  -9.987  -4.263
  181    H    LYS  21           H        LYS  21   6.407  -5.808  -5.467
  182    HA   LYS  21           HA       LYS  21   6.229  -5.433  -7.853
  183   1HB   LYS  21          2HB       LYS  21   3.701  -7.177  -7.589
  184   2HB   LYS  21          1HB       LYS  21   4.439  -6.681  -9.114
  185   1HG   LYS  21          2HG       LYS  21   5.817  -8.413  -6.964
  186   2HG   LYS  21          1HG       LYS  21   5.053  -9.026  -8.433
  187   1HD   LYS  21          1HD       LYS  21   6.631  -7.615  -9.832
  188   2HD   LYS  21          2HD       LYS  21   7.457  -7.099  -8.355
  189   1HE   LYS  21          1HE       LYS  21   7.158 -10.022  -9.296
  190   2HE   LYS  21          2HE       LYS  21   8.625  -9.037  -9.444
  191   1HZ   LYS  21          1HZ       LYS  21   8.690 -10.421  -7.456
  192   2HZ   LYS  21          2HZ       LYS  21   7.296  -9.752  -6.871
  193   3HZ   LYS  21          3HZ       LYS  21   8.661  -8.830  -7.009
  194    H    VAL  22           H        VAL  22   5.760  -3.463  -8.318
  195    HA   VAL  22           HA       VAL  22   2.870  -2.589  -8.028
  196    HB   VAL  22           HB       VAL  22   4.050  -1.891  -5.950
  197   1HG1  VAL  22          1HG1      VAL  22   6.381  -1.701  -6.879
  198   2HG1  VAL  22          2HG1      VAL  22   5.890  -0.203  -6.050
  199   3HG1  VAL  22          3HG1      VAL  22   5.889  -0.272  -7.829
  200   1HG2  VAL  22          1HG2      VAL  22   3.440   0.483  -7.823
  201   2HG2  VAL  22          2HG2      VAL  22   3.475   0.536  -6.042
  202   3HG2  VAL  22          3HG2      VAL  22   2.231  -0.429  -6.878
  203    H    TRP  23           H        TRP  23   2.196  -1.287  -9.586
  204    HA   TRP  23           HA       TRP  23   4.247   0.013 -11.369
  205   1HB   TRP  23          1HB       TRP  23   3.456  -1.097 -13.423
  206   2HB   TRP  23          2HB       TRP  23   4.019  -2.317 -12.277
  207    HD1  TRP  23           HD1      TRP  23   0.821  -1.070 -14.051
  208    HE1  TRP  23           HE1      TRP  23  -1.176  -2.752 -13.628
  209    HE3  TRP  23           HE3      TRP  23   3.115  -3.811 -10.606
  210    HZ2  TRP  23           HZ2      TRP  23  -1.465  -4.911 -11.950
  211    HZ3  TRP  23           HZ3      TRP  23   1.942  -5.696  -9.594
  212    HH2  TRP  23           HH2      TRP  23  -0.316  -6.236 -10.260
  213    H    ARG  24           H        ARG  24   3.556   1.864 -12.087
  214    HA   ARG  24           HA       ARG  24   0.594   2.438 -11.650
  215   1HB   ARG  24          2HB       ARG  24   1.252   4.839 -11.545
  216   2HB   ARG  24          1HB       ARG  24   2.121   3.872 -10.343
  217   1HG   ARG  24          1HG       ARG  24   4.092   3.698 -11.949
  218   2HG   ARG  24          2HG       ARG  24   3.242   4.764 -13.077
  219   1HD   ARG  24          2HD       ARG  24   4.048   5.483 -10.186
  220   2HD   ARG  24          1HD       ARG  24   4.860   6.044 -11.659
  221    HE   ARG  24           HE       ARG  24   2.049   6.793 -11.876
  222   1HH1  ARG  24          2HH1      ARG  24   4.947   7.294 -10.033
  223   2HH1  ARG  24          1HH1      ARG  24   4.489   9.021  -9.615
  224   1HH2  ARG  24          2HH2      ARG  24   1.511   8.834 -11.377
  225   2HH2  ARG  24          1HH2      ARG  24   2.631   9.853 -10.342
  226    H    VAL  25           H        VAL  25  -0.654   3.182 -13.219
  227    HA   VAL  25           HA       VAL  25   0.477   4.170 -15.765
  228    HB   VAL  25           HB       VAL  25   0.931   1.748 -16.033
  229   1HG1  VAL  25          1HG1      VAL  25  -2.123   1.377 -15.782
  230   2HG1  VAL  25          2HG1      VAL  25  -0.942   0.110 -16.197
  231   3HG1  VAL  25          3HG1      VAL  25  -0.917   0.849 -14.576
  232   1HG2  VAL  25          1HG2      VAL  25  -1.379   2.729 -17.826
  233   2HG2  VAL  25          2HG2      VAL  25  -0.214   1.443 -18.230
  234   3HG2  VAL  25          3HG2      VAL  25   0.346   3.125 -18.048
  235    H    GLY  26           H        GLY  26  -0.935   5.448 -16.686
  236   1HA   GLY  26          2HA       GLY  26  -3.232   6.116 -17.373
  237   2HA   GLY  26          1HA       GLY  26  -3.892   4.936 -16.223
  238    H    LYS  27           H        LYS  27  -5.043   6.045 -14.822
  239    HA   LYS  27           HA       LYS  27  -3.590   8.286 -13.376
  240   1HB   LYS  27          1HB       LYS  27  -5.910   9.509 -13.347
  241   2HB   LYS  27          2HB       LYS  27  -4.824   9.630 -14.722
  242   1HG   LYS  27          1HG       LYS  27  -6.980   9.347 -15.629
  243   2HG   LYS  27          2HG       LYS  27  -6.140   7.843 -15.956
  244   1HD   LYS  27          2HD       LYS  27  -7.815   8.068 -13.411
  245   2HD   LYS  27          1HD       LYS  27  -8.663   7.999 -14.954
  246   1HE   LYS  27          1HE       LYS  27  -6.655   5.871 -13.999
  247   2HE   LYS  27          2HE       LYS  27  -8.418   5.721 -13.971
  248   1HZ   LYS  27          1HZ       LYS  27  -6.780   6.141 -16.428
  249   2HZ   LYS  27          2HZ       LYS  27  -8.427   6.002 -16.396
  250   3HZ   LYS  27          3HZ       LYS  27  -7.480   4.718 -15.966
  251    H    MET  28           H        MET  28  -4.431   5.451 -12.832
  252    HA   MET  28           HA       MET  28  -4.951   6.243  -9.982
  253   1HB   MET  28          2HB       MET  28  -6.623   4.115 -11.427
  254   2HB   MET  28          1HB       MET  28  -6.169   3.890  -9.737
  255   1HG   MET  28          2HG       MET  28  -8.340   4.949  -9.713
  256   2HG   MET  28          1HG       MET  28  -7.166   6.158  -9.158
  257   1HE   MET  28          1HE       MET  28  -9.838   8.238 -11.174
  258   2HE   MET  28          2HE       MET  28  -8.929   8.101  -9.638
  259   3HE   MET  28          3HE       MET  28 -10.084   6.816 -10.112
  260    H    ILE  29           H        ILE  29  -4.029   4.732  -8.528
  261    HA   ILE  29           HA       ILE  29  -1.690   3.374  -9.877
  262    HB   ILE  29           HB       ILE  29  -2.320   3.798  -6.891
  263   1HG1  ILE  29          1HG1      ILE  29  -0.387   5.249  -8.802
  264   2HG1  ILE  29          2HG1      ILE  29  -1.934   5.899  -8.246
  265   1HG2  ILE  29          1HG2      ILE  29  -0.823   1.812  -7.338
  266   2HG2  ILE  29          2HG2      ILE  29   0.255   2.845  -8.312
  267   3HG2  ILE  29          3HG2      ILE  29   0.082   3.126  -6.559
  268   1HD1  ILE  29          1HD1      ILE  29  -0.124   6.830  -6.842
  269   2HD1  ILE  29          2HD1      ILE  29   0.464   5.203  -6.426
  270   3HD1  ILE  29          3HD1      ILE  29  -1.130   5.753  -5.838
  271    H    SER  30           H        SER  30  -1.651   1.340 -10.291
  272    HA   SER  30           HA       SER  30  -3.707  -0.422  -8.876
  273   1HB   SER  30          1HB       SER  30  -3.395  -1.999 -10.800
  274   2HB   SER  30          2HB       SER  30  -3.889  -0.391 -11.367
  275    HG   SER  30           HG       SER  30  -1.674   0.068 -11.723
  276    H    PHE  31           H        PHE  31  -3.045  -2.526  -8.243
  277    HA   PHE  31           HA       PHE  31  -0.160  -3.171  -8.169
  278   1HB   PHE  31          2HB       PHE  31   0.208  -2.916  -5.732
  279   2HB   PHE  31          1HB       PHE  31  -0.181  -1.360  -6.465
  280    HD1  PHE  31           HD1      PHE  31  -2.347  -0.334  -6.058
  281    HD2  PHE  31           HD2      PHE  31  -1.355  -3.977  -4.236
  282    HE1  PHE  31           HE1      PHE  31  -4.162  -0.046  -4.492
  283    HE2  PHE  31           HE2      PHE  31  -3.170  -3.691  -2.673
  284    HZ   PHE  31           HZ       PHE  31  -4.583  -1.726  -2.797
  285    H    THR  32           H        THR  32   0.111  -4.889  -6.241
  286    HA   THR  32           HA       THR  32  -2.398  -6.579  -6.181
  287    HB   THR  32           HB       THR  32  -1.285  -7.330  -8.230
  288    HG1  THR  32           HG1      THR  32  -2.230  -8.850  -6.850
  289   1HG2  THR  32          1HG2      THR  32   1.002  -8.333  -8.185
  290   2HG2  THR  32          2HG2      THR  32   1.077  -6.620  -7.701
  291   3HG2  THR  32          3HG2      THR  32   1.185  -7.906  -6.466
  292    H    TYR  33           H        TYR  33  -2.723  -7.245  -4.273
  293    HA   TYR  33           HA       TYR  33  -0.356  -7.418  -2.371
  294   1HB   TYR  33          2HB       TYR  33  -2.030  -7.611  -0.556
  295   2HB   TYR  33          1HB       TYR  33  -2.325  -6.166  -1.523
  296    HD1  TYR  33           HD1      TYR  33  -3.599  -9.402  -0.552
  297    HD2  TYR  33           HD2      TYR  33  -4.206  -6.136  -3.110
  298    HE1  TYR  33           HE1      TYR  33  -5.873 -10.121  -0.932
  299    HE2  TYR  33           HE2      TYR  33  -6.478  -6.859  -3.492
  300    HH   TYR  33           HH       TYR  33  -7.754  -9.735  -1.942
  301    H    ASP  34           H        ASP  34  -1.026  -9.391  -0.703
  302    HA   ASP  34           HA       ASP  34  -1.738 -11.775  -2.431
  303   1HB   ASP  34          1HB       ASP  34   0.723 -11.432  -2.758
  304   2HB   ASP  34          2HB       ASP  34   0.977 -11.439  -1.004
  305    H    GLU  35           H        GLU  35  -3.038 -12.978  -1.342
  306    HA   GLU  35           HA       GLU  35  -2.396 -13.400   1.594
  307   1HB   GLU  35          1HB       GLU  35  -4.841 -13.297   2.178
  308   2HB   GLU  35          2HB       GLU  35  -4.165 -11.762   1.635
  309   1HG   GLU  35          2HG       GLU  35  -6.280 -11.918   0.556
  310   2HG   GLU  35          1HG       GLU  35  -5.103 -12.242  -0.717
  311    HE2  GLU  35           HE2      GLU  35  -7.683 -15.040   0.656
  312    H    GLY  36           H        GLY  36  -1.877 -14.878  -0.808
  313   1HA   GLY  36          2HA       GLY  36  -2.809 -17.503   0.188
  314   2HA   GLY  36          1HA       GLY  36  -3.717 -17.049  -1.268
  315    H    GLY  37           H        GLY  37  -2.585 -16.712  -3.228
  316   1HA   GLY  37          1HA       GLY  37   0.296 -17.180  -3.493
  317   2HA   GLY  37          2HA       GLY  37  -0.541 -18.733  -3.699
  318    H    GLY  38           H        GLY  38  -2.539 -18.551  -5.171
  319   1HA   GLY  38          1HA       GLY  38  -1.545 -17.299  -7.736
  320   2HA   GLY  38          2HA       GLY  38  -2.940 -18.392  -7.603
  321    H    LYS  39           H        LYS  39  -3.604 -16.639  -5.120
  322    HA   LYS  39           HA       LYS  39  -4.483 -14.120  -6.524
  323   1HB   LYS  39          1HB       LYS  39  -6.291 -15.776  -7.004
  324   2HB   LYS  39          2HB       LYS  39  -6.472 -16.098  -5.271
  325   1HG   LYS  39          2HG       LYS  39  -6.999 -13.650  -4.886
  326   2HG   LYS  39          1HG       LYS  39  -6.896 -13.357  -6.626
  327   1HD   LYS  39          2HD       LYS  39  -8.848 -15.337  -5.282
  328   2HD   LYS  39          1HD       LYS  39  -9.262 -13.693  -5.783
  329   1HE   LYS  39          2HE       LYS  39  -8.648 -14.271  -8.176
  330   2HE   LYS  39          1HE       LYS  39  -8.309 -15.940  -7.673
  331   1HZ   LYS  39          1HZ       LYS  39 -10.613 -16.107  -6.881
  332   2HZ   LYS  39          2HZ       LYS  39 -10.580 -15.705  -8.483
  333   3HZ   LYS  39          3HZ       LYS  39 -10.931 -14.555  -7.351
  334    H    THR  40           H        THR  40  -3.871 -13.049  -3.040
  335    HA   THR  40           HA       THR  40  -2.769 -11.583  -4.449
  336    HB   THR  40           HB       THR  40  -2.477 -13.873  -6.444
  337    HG1  THR  40           HG1      THR  40  -0.878 -12.914  -4.308
  338   1HG2  THR  40          1HG2      THR  40  -0.492 -12.506  -7.164
  339   2HG2  THR  40          2HG2      THR  40  -0.950 -11.225  -6.010
  340   3HG2  THR  40          3HG2      THR  40  -2.008 -11.597  -7.398
  341    H    GLY  41           H        GLY  41  -4.688 -10.488  -4.432
  342   1HA   GLY  41          1HA       GLY  41  -6.297 -10.676  -7.008
  343   2HA   GLY  41          2HA       GLY  41  -6.770  -9.725  -5.587
  344    H    ARG  42           H        ARG  42  -7.084  -8.213  -7.480
  345    HA   ARG  42           HA       ARG  42  -4.549  -6.530  -7.649
  346   1HB   ARG  42          2HB       ARG  42  -6.445  -7.110 -10.010
  347   2HB   ARG  42          1HB       ARG  42  -5.037  -6.041 -10.057
  348   1HG   ARG  42          1HG       ARG  42  -3.539  -7.993  -9.478
  349   2HG   ARG  42          2HG       ARG  42  -4.953  -9.061  -9.440
  350   1HD   ARG  42          1HD       ARG  42  -5.455  -8.479 -11.849
  351   2HD   ARG  42          2HD       ARG  42  -4.041  -7.411 -11.886
  352    HE   ARG  42           HE       ARG  42  -3.123 -10.060 -11.056
  353   1HH1  ARG  42          2HH2      ARG  42  -4.562  -8.273 -13.661
  354   2HH1  ARG  42          1HH2      ARG  42  -3.793  -9.345 -14.935
  355   1HH2  ARG  42          1HH1      ARG  42  -2.218 -11.322 -12.564
  356   2HH2  ARG  42          2HH1      ARG  42  -2.525 -10.993 -14.342
  357    H    GLY  43           H        GLY  43  -5.346  -5.138  -6.170
  358   1HA   GLY  43          2HA       GLY  43  -8.034  -3.854  -6.777
  359   2HA   GLY  43          1HA       GLY  43  -7.115  -3.625  -5.276
  360    H    ALA  44           H        ALA  44  -7.801  -1.363  -5.976
  361    HA   ALA  44           HA       ALA  44  -5.320  -0.107  -7.052
  362   1HB   ALA  44          1HB       ALA  44  -6.539  -0.633  -9.194
  363   2HB   ALA  44          2HB       ALA  44  -6.464   1.130  -8.928
  364   3HB   ALA  44          3HB       ALA  44  -7.976   0.243  -8.600
  365    H    VAL  45           H        VAL  45  -5.579   2.307  -7.111
  366    HA   VAL  45           HA       VAL  45  -7.816   3.404  -5.496
  367    HB   VAL  45           HB       VAL  45  -6.476   2.265  -3.736
  368   1HG1  VAL  45          1HG2      VAL  45  -4.200   4.168  -4.589
  369   2HG1  VAL  45          2HG2      VAL  45  -4.178   3.074  -3.184
  370   3HG1  VAL  45          3HG2      VAL  45  -4.216   2.401  -4.832
  371   1HG2  VAL  45          1HG1      VAL  45  -6.269   5.341  -3.618
  372   2HG2  VAL  45          2HG1      VAL  45  -7.712   4.380  -3.192
  373   3HG2  VAL  45          3HG1      VAL  45  -6.223   4.234  -2.220
  374    H    SER  46           H        SER  46  -8.016   5.509  -5.818
  375    HA   SER  46           HA       SER  46  -6.344   6.688  -7.929
  376   1HB   SER  46          1HB       SER  46  -8.739   7.344  -7.561
  377   2HB   SER  46          2HB       SER  46  -8.317   8.050  -5.988
  378    HG   SER  46           HG       SER  46  -7.249   8.801  -8.515
  379    H    GLU  47           H        GLU  47  -4.937   8.410  -7.814
  380    HA   GLU  47           HA       GLU  47  -3.430   8.432  -5.191
  381   1HB   GLU  47          1HB       GLU  47  -1.581   9.454  -6.485
  382   2HB   GLU  47          2HB       GLU  47  -2.150   7.973  -7.267
  383   1HG   GLU  47          2HG       GLU  47  -3.554   9.353  -8.858
  384   2HG   GLU  47          1HG       GLU  47  -2.977  10.837  -8.078
  385    H    LYS  48           H        LYS  48  -5.956  10.013  -6.199
  386    HA   LYS  48           HA       LYS  48  -4.947  12.815  -5.812
  387   1HB   LYS  48          2HB       LYS  48  -7.839  11.756  -5.910
  388   2HB   LYS  48          1HB       LYS  48  -7.381  13.460  -5.923
  389   1HG   LYS  48          1HG       LYS  48  -6.594  11.402  -8.083
  390   2HG   LYS  48          2HG       LYS  48  -7.905  12.577  -8.212
  391   1HD   LYS  48          1HD       LYS  48  -6.241  14.463  -7.915
  392   2HD   LYS  48          2HD       LYS  48  -4.924  13.278  -7.876
  393   1HE   LYS  48          2HE       LYS  48  -5.596  12.448 -10.164
  394   2HE   LYS  48          1HE       LYS  48  -6.912  13.639 -10.208
  395   1HZ   LYS  48          1HZ       LYS  48  -4.014  14.301  -9.936
  396   2HZ   LYS  48          2HZ       LYS  48  -5.241  15.406  -9.988
  397   3HZ   LYS  48          3HZ       LYS  48  -4.913  14.473 -11.311
  398    H    ASP  49           H        ASP  49  -6.356  10.238  -3.947
  399    HA   ASP  49           HA       ASP  49  -6.043  12.061  -1.523
  400   1HB   ASP  49          2HB       ASP  49  -8.384  10.118  -2.022
  401   2HB   ASP  49          1HB       ASP  49  -8.119  11.038  -0.532
  402    H    ALA  50           H        ALA  50  -4.296  10.102  -2.665
  403    HA   ALA  50           HA       ALA  50  -4.629   7.693  -0.920
  404   1HB   ALA  50          1HB       ALA  50  -3.612   7.463  -3.208
  405   2HB   ALA  50          2HB       ALA  50  -2.435   6.963  -1.963
  406   3HB   ALA  50          3HB       ALA  50  -2.283   8.561  -2.743
  407    HA   PRO  51           HA       PRO  51  -2.460   9.220   2.641
  408   1HB   PRO  51          2HB       PRO  51  -0.677   6.765   2.262
  409   2HB   PRO  51          1HB       PRO  51  -1.446   7.332   3.769
  410   1HG   PRO  51          1HG       PRO  51  -2.577   5.258   2.444
  411   2HG   PRO  51          2HG       PRO  51  -3.634   6.572   3.026
  412   1HD   PRO  51          2HD       PRO  51  -2.620   6.119   0.174
  413   2HD   PRO  51          1HD       PRO  51  -4.252   6.627   0.734
  414    H    LYS  52           H        LYS  52  -0.743  10.508   3.039
  415    HA   LYS  52           HA       LYS  52   0.901  11.146   0.663
  416   1HB   LYS  52          1HB       LYS  52   1.151  12.213   3.543
  417   2HB   LYS  52          2HB       LYS  52   1.874  12.945   2.102
  418   1HG   LYS  52          2HG       LYS  52  -0.435  13.264   1.116
  419   2HG   LYS  52          1HG       LYS  52  -1.149  12.541   2.566
  420   1HD   LYS  52          1HD       LYS  52  -0.063  14.332   3.986
  421   2HD   LYS  52          2HD       LYS  52   0.611  15.074   2.527
  422   1HE   LYS  52          2HE       LYS  52  -2.398  14.662   3.087
  423   2HE   LYS  52          1HE       LYS  52  -1.523  16.196   3.258
  424   1HZ   LYS  52          1HZ       LYS  52  -0.981  16.086   0.880
  425   2HZ   LYS  52          2HZ       LYS  52  -1.794  14.657   0.716
  426   3HZ   LYS  52          3HZ       LYS  52  -2.617  16.036   1.099
  427    H    GLU  53           H        GLU  53   1.369   9.357   3.618
  428    HA   GLU  53           HA       GLU  53   4.312   9.447   3.414
  429   1HB   GLU  53          1HB       GLU  53   4.300   7.721   5.195
  430   2HB   GLU  53          2HB       GLU  53   3.204   9.052   5.584
  431   1HG   GLU  53          1HG       GLU  53   1.245   7.686   4.751
  432   2HG   GLU  53          2HG       GLU  53   2.343   6.352   4.356
  433    H    LEU  54           H        LEU  54   1.899   7.692   1.799
  434    HA   LEU  54           HA       LEU  54   3.680   5.342   1.285
  435   1HB   LEU  54          2HB       LEU  54   1.072   5.435   1.443
  436   2HB   LEU  54          1HB       LEU  54   1.081   6.055  -0.204
  437    HG   LEU  54           HG       LEU  54   2.372   3.392   0.682
  438   1HD1  LEU  54          1HD1      LEU  54  -0.357   3.962  -0.633
  439   2HD1  LEU  54          2HD1      LEU  54  -0.106   3.431   1.051
  440   3HD1  LEU  54          3HD1      LEU  54   0.321   2.345  -0.300
  441   1HD2  LEU  54          1HD2      LEU  54   3.320   4.193  -1.485
  442   2HD2  LEU  54          2HD2      LEU  54   2.204   2.844  -1.792
  443   3HD2  LEU  54          3HD2      LEU  54   1.680   4.517  -2.115
  444    H    LEU  55           H        LEU  55   2.689   8.345  -0.271
  445    HA   LEU  55           HA       LEU  55   3.853   7.532  -2.872
  446   1HB   LEU  55          1HB       LEU  55   3.150  10.344  -1.833
  447   2HB   LEU  55          2HB       LEU  55   3.488   9.937  -3.517
  448    HG   LEU  55           HG       LEU  55   1.185   8.746  -1.855
  449   1HD1  LEU  55          1HD1      LEU  55  -0.256  10.240  -3.263
  450   2HD1  LEU  55          2HD1      LEU  55   0.907  11.197  -2.305
  451   3HD1  LEU  55          3HD1      LEU  55   1.198  10.921  -4.043
  452   1HD2  LEU  55          1HD2      LEU  55   1.917   7.219  -3.704
  453   2HD2  LEU  55          2HD2      LEU  55   1.856   8.572  -4.867
  454   3HD2  LEU  55          3HD2      LEU  55   0.355   7.970  -4.113
  455    H    GLN  56           H        GLN  56   4.945   9.365  -0.072
  456    HA   GLN  56           HA       GLN  56   7.413  10.178  -1.545
  457   1HB   GLN  56          2HB       GLN  56   8.104  11.235   0.587
  458   2HB   GLN  56          1HB       GLN  56   6.436  11.670   0.191
  459   1HG   GLN  56          2HG       GLN  56   5.603   9.853   1.750
  460   2HG   GLN  56          1HG       GLN  56   7.277   9.448   2.163
  461   1HE2  GLN  56          2HE2      GLN  56   7.872  10.259   3.994
  462   2HE2  GLN  56          1HE2      GLN  56   7.373  11.889   4.674
  463    H    MET  57           H        MET  57   6.362   7.414   0.042
  464    HA   MET  57           HA       MET  57   9.099   6.680   1.041
  465   1HB   MET  57          1HB       MET  57   7.029   5.926   2.248
  466   2HB   MET  57          2HB       MET  57   6.512   5.022   0.821
  467   1HG   MET  57          2HG       MET  57   7.653   3.518   2.483
  468   2HG   MET  57          1HG       MET  57   8.548   3.566   0.952
  469   1HE   MET  57          1HE       MET  57   8.281   6.208   3.994
  470   2HE   MET  57          2HE       MET  57   9.720   5.689   4.923
  471   3HE   MET  57          3HE       MET  57   8.353   4.558   4.689
  472    H    LEU  58           H        LEU  58   7.145   6.362  -1.787
  473    HA   LEU  58           HA       LEU  58   9.277   4.467  -2.893
  474   1HB   LEU  58          1HB       LEU  58   6.325   4.715  -3.740
  475   2HB   LEU  58          2HB       LEU  58   7.497   3.592  -4.438
  476    HG   LEU  58           HG       LEU  58   6.621   3.609  -1.483
  477   1HD1  LEU  58          1HD2      LEU  58   5.875   1.737  -3.819
  478   2HD1  LEU  58          2HD2      LEU  58   5.370   1.534  -2.119
  479   3HD1  LEU  58          3HD2      LEU  58   4.791   2.934  -3.060
  480   1HD2  LEU  58          1HD1      LEU  58   7.772   1.362  -1.434
  481   2HD2  LEU  58          2HD1      LEU  58   8.339   1.617  -3.105
  482   3HD2  LEU  58          3HD1      LEU  58   8.928   2.669  -1.788
  483    H    GLU  59           H        GLU  59   9.481   7.279  -2.852
  484    HA   GLU  59           HA       GLU  59  10.160   7.526  -5.692
  485   1HB   GLU  59          2HB       GLU  59   7.668   8.022  -5.782
  486   2HB   GLU  59          1HB       GLU  59   7.922   9.399  -4.697
  487   1HG   GLU  59          2HG       GLU  59   9.491  10.437  -6.378
  488   2HG   GLU  59          1HG       GLU  59   9.275   9.041  -7.447
  489    H    LYS  60           H        LYS  60  12.013   7.707  -4.183
  490    HA   LYS  60           HA       LYS  60  12.428  10.210  -2.721
  491   1HB   LYS  60          1HB       LYS  60  14.818   9.729  -2.793
  492   2HB   LYS  60          2HB       LYS  60  13.975   8.190  -2.566
  493   1HG   LYS  60          2HG       LYS  60  14.143   7.769  -5.073
  494   2HG   LYS  60          1HG       LYS  60  15.018   9.298  -5.254
  495   1HD   LYS  60          2HD       LYS  60  16.793   8.471  -3.661
  496   2HD   LYS  60          1HD       LYS  60  15.921   6.940  -3.485
  497   1HE   LYS  60          1HE       LYS  60  16.143   6.525  -5.969
  498   2HE   LYS  60          2HE       LYS  60  17.015   8.061  -6.147
  499   1HZ   LYS  60          1HZ       LYS  60  18.548   6.196  -5.900
  500   2HZ   LYS  60          2HZ       LYS  60  18.708   7.205  -4.602
  501   3HZ   LYS  60          3HZ       LYS  60  17.898   5.774  -4.442
  502    H    GLN  61           H        GLN  61  11.929  12.019  -3.678
  503    HA   GLN  61           HA       GLN  61  12.682  12.281  -6.607
  504   1HB   GLN  61          1HB       GLN  61  10.253  12.352  -5.552
  505   2HB   GLN  61          2HB       GLN  61  10.643  14.018  -5.121
  506   1HG   GLN  61          2HG       GLN  61  10.778  12.799  -7.958
  507   2HG   GLN  61          1HG       GLN  61   9.449  13.788  -7.341
  508   1HE2  GLN  61          2HE2      GLN  61   9.820  15.977  -6.842
  509   2HE2  GLN  61          1HE2      GLN  61  11.195  16.887  -7.647
  510    H    LYS  62           H        LYS  62  14.752  13.090  -6.404
  511    HA   LYS  62           HA       LYS  62  15.319  15.408  -4.644
  512   1HB   LYS  62          2HB       LYS  62  16.847  14.203  -7.033
  513   2HB   LYS  62          1HB       LYS  62  17.370  15.676  -6.223
  514   1HG   LYS  62          1HG       LYS  62  18.612  13.882  -5.220
  515   2HG   LYS  62          2HG       LYS  62  17.477  14.488  -4.019
  516   1HD   LYS  62          1HD       LYS  62  17.559  12.029  -3.951
  517   2HD   LYS  62          2HD       LYS  62  15.948  12.552  -4.437
  518   1HE   LYS  62          2HE       LYS  62  16.730  10.650  -5.847
  519   2HE   LYS  62          1HE       LYS  62  16.504  12.093  -6.849
  520   1HZ   LYS  62          1HZ       LYS  62  18.908  12.515  -6.670
  521   2HZ   LYS  62          2HZ       LYS  62  19.114  11.170  -5.735
  522   3HZ   LYS  62          3HZ       LYS  62  18.630  11.016  -7.306
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1   0.180   1.386   9.977
    2   2H    ALA   1          2H        ALA   1   1.615   1.056   9.227
    3   3H    ALA   1          3H        ALA   1   1.419   2.478  10.047
    4    HA   ALA   1           HA       ALA   1  -0.269   3.241   8.475
    5   1HB   ALA   1          1HB       ALA   1   2.149   3.808   8.056
    6   2HB   ALA   1          2HB       ALA   1   2.364   2.275   7.170
    7   3HB   ALA   1          3HB       ALA   1   1.290   3.539   6.515
    8    H    THR   2           H        THR   2  -2.008   2.273   7.785
    9    HA   THR   2           HA       THR   2  -1.600  -0.084   5.884
   10    HB   THR   2           HB       THR   2  -3.785  -1.007   6.737
   11    HG1  THR   2           HG1      THR   2  -3.403   0.992   8.714
   12   1HG2  THR   2          1HG2      THR   2  -1.636  -0.594   8.919
   13   2HG2  THR   2          2HG2      THR   2  -2.881  -1.870   8.911
   14   3HG2  THR   2          3HG2      THR   2  -1.605  -1.864   7.665
   15    H    VAL   3           H        VAL   3  -3.084  -0.252   4.225
   16    HA   VAL   3           HA       VAL   3  -4.451   2.420   3.655
   17    HB   VAL   3           HB       VAL   3  -3.517   0.193   1.751
   18   1HG1  VAL   3          1HG2      VAL   3  -4.106   1.851  -0.058
   19   2HG1  VAL   3          2HG2      VAL   3  -5.553   1.369   0.864
   20   3HG1  VAL   3          3HG2      VAL   3  -4.785   2.951   1.171
   21   1HG2  VAL   3          1HG1      VAL   3  -1.640   1.523   2.736
   22   2HG2  VAL   3          2HG1      VAL   3  -1.856   1.936   1.016
   23   3HG2  VAL   3          3HG1      VAL   3  -2.456   3.041   2.279
   24    H    LYS   4           H        LYS   4  -6.558   2.484   3.596
   25    HA   LYS   4           HA       LYS   4  -8.015  -0.161   3.883
   26   1HB   LYS   4          2HB       LYS   4  -8.982   2.743   4.191
   27   2HB   LYS   4          1HB       LYS   4 -10.016   1.322   4.396
   28   1HG   LYS   4          2HG       LYS   4  -8.468   0.448   6.192
   29   2HG   LYS   4          1HG       LYS   4  -7.474   1.902   6.045
   30   1HD   LYS   4          1HD       LYS   4 -10.469   1.865   6.792
   31   2HD   LYS   4          2HD       LYS   4  -9.138   2.011   7.944
   32   1HE   LYS   4          1HE       LYS   4  -8.387   4.147   6.791
   33   2HE   LYS   4          2HE       LYS   4  -9.783   4.030   5.699
   34   1HZ   LYS   4          1HZ       LYS   4 -10.276   5.419   7.622
   35   2HZ   LYS   4          2HZ       LYS   4  -9.945   4.187   8.672
   36   3HZ   LYS   4          3HZ       LYS   4 -11.242   4.078   7.655
   37    H    PHE   5           H        PHE   5  -9.886  -0.583   2.651
   38    HA   PHE   5           HA       PHE   5 -10.400   1.041   0.212
   39   1HB   PHE   5          2HB       PHE   5  -8.297  -0.127  -0.466
   40   2HB   PHE   5          1HB       PHE   5  -8.996  -1.693  -0.029
   41    HD1  PHE   5           HD1      PHE   5 -10.070   1.275  -2.013
   42    HD2  PHE   5           HD2      PHE   5  -9.751  -2.900  -1.800
   43    HE1  PHE   5           HE1      PHE   5 -11.053   1.087  -4.215
   44    HE2  PHE   5           HE2      PHE   5 -10.735  -3.087  -4.002
   45    HZ   PHE   5           HZ       PHE   5 -11.387  -1.094  -5.210
   46    H    LYS   6           H        LYS   6 -12.409   0.906   1.335
   47    HA   LYS   6           HA       LYS   6 -13.670  -1.740   1.709
   48   1HB   LYS   6          1HB       LYS   6 -15.728  -0.471   2.244
   49   2HB   LYS   6          2HB       LYS   6 -14.338   0.259   3.063
   50   1HG   LYS   6          1HG       LYS   6 -14.165   2.002   1.263
   51   2HG   LYS   6          2HG       LYS   6 -15.459   1.211   0.354
   52   1HD   LYS   6          2HD       LYS   6 -16.428   3.099   1.546
   53   2HD   LYS   6          1HD       LYS   6 -17.054   1.617   2.278
   54   1HE   LYS   6          2HE       LYS   6 -15.368   1.810   4.143
   55   2HE   LYS   6          1HE       LYS   6 -14.675   3.252   3.375
   56   1HZ   LYS   6          1HZ       LYS   6 -16.839   4.351   3.613
   57   2HZ   LYS   6          2HZ       LYS   6 -17.497   3.005   4.309
   58   3HZ   LYS   6          3HZ       LYS   6 -16.297   3.835   5.085
   59    H    TYR   7           H        TYR   7 -14.829  -2.903   0.378
   60    HA   TYR   7           HA       TYR   7 -14.988  -2.003  -2.469
   61   1HB   TYR   7          1HB       TYR   7 -14.529  -4.394  -1.811
   62   2HB   TYR   7          2HB       TYR   7 -16.137  -4.518  -1.097
   63    HD1  TYR   7           HD1      TYR   7 -17.674  -5.534  -2.453
   64    HD2  TYR   7           HD2      TYR   7 -14.666  -3.265  -4.295
   65    HE1  TYR   7           HE1      TYR   7 -18.540  -6.147  -4.624
   66    HE2  TYR   7           HE2      TYR   7 -15.539  -3.873  -6.465
   67    HH   TYR   7           HH       TYR   7 -17.036  -4.983  -7.572
   68    H    LYS   8           H        LYS   8 -17.639  -3.640  -0.844
   69    HA   LYS   8           HA       LYS   8 -19.338  -1.171  -1.458
   70   1HB   LYS   8          2HB       LYS   8 -20.188  -4.103  -1.050
   71   2HB   LYS   8          1HB       LYS   8 -21.317  -2.766  -1.285
   72   1HG   LYS   8          1HG       LYS   8 -19.135  -3.566  -3.314
   73   2HG   LYS   8          2HG       LYS   8 -20.821  -4.091  -3.392
   74   1HD   LYS   8          2HD       LYS   8 -21.565  -1.667  -3.461
   75   2HD   LYS   8          1HD       LYS   8 -19.869  -1.162  -3.502
   76   1HE   LYS   8          2HE       LYS   8 -21.220  -3.007  -5.575
   77   2HE   LYS   8          1HE       LYS   8 -20.885  -1.280  -5.805
   78   1HZ   LYS   8          1HZ       LYS   8 -18.509  -1.760  -5.505
   79   2HZ   LYS   8          2HZ       LYS   8 -18.816  -3.368  -5.288
   80   3HZ   LYS   8          3HZ       LYS   8 -19.124  -2.658  -6.748
   81    H    GLY   9           H        GLY   9 -19.739  -3.948   0.710
   82   1HA   GLY   9          1HA       GLY   9 -19.812  -1.909   3.002
   83   2HA   GLY   9          2HA       GLY   9 -20.931  -3.284   2.937
   84    H    GLU  10           H        GLU  10 -17.723  -3.778   1.769
   85    HA   GLU  10           HA       GLU  10 -17.089  -5.212   4.399
   86   1HB   GLU  10          2HB       GLU  10 -16.375  -6.083   1.526
   87   2HB   GLU  10          1HB       GLU  10 -15.705  -6.811   2.989
   88   1HG   GLU  10          1HG       GLU  10 -17.515  -8.239   2.348
   89   2HG   GLU  10          2HG       GLU  10 -18.091  -7.348   3.762
   90    H    GLU  11           H        GLU  11 -15.286  -4.647   5.331
   91    HA   GLU  11           HA       GLU  11 -13.633  -2.544   3.977
   92   1HB   GLU  11          2HB       GLU  11 -13.271  -3.924   6.709
   93   2HB   GLU  11          1HB       GLU  11 -12.326  -2.541   6.134
   94   1HG   GLU  11          2HG       GLU  11 -14.455  -1.189   5.901
   95   2HG   GLU  11          1HG       GLU  11 -15.388  -2.561   6.522
   96    H    LEU  12           H        LEU  12 -11.378  -2.714   3.683
   97    HA   LEU  12           HA       LEU  12 -10.211  -5.478   3.771
   98   1HB   LEU  12          1HB       LEU  12 -11.476  -5.413   1.588
   99   2HB   LEU  12          2HB       LEU  12 -10.602  -3.951   1.122
  100    HG   LEU  12           HG       LEU  12  -8.419  -5.226   1.240
  101   1HD1  LEU  12          1HD1      LEU  12  -8.558  -7.749   1.309
  102   2HD1  LEU  12          2HD1      LEU  12  -9.081  -7.028   2.852
  103   3HD1  LEU  12          3HD1      LEU  12 -10.296  -7.639   1.695
  104   1HD2  LEU  12          1HD2      LEU  12 -10.603  -6.443  -0.567
  105   2HD2  LEU  12          2HD2      LEU  12  -8.845  -6.538  -0.853
  106   3HD2  LEU  12          3HD2      LEU  12  -9.674  -4.959  -0.914
  107    H    GLN  13           H        GLN  13  -8.259  -5.248   4.483
  108    HA   GLN  13           HA       GLN  13  -6.912  -2.553   3.996
  109   1HB   GLN  13          2HB       GLN  13  -6.351  -4.685   6.149
  110   2HB   GLN  13          1HB       GLN  13  -5.497  -3.143   5.991
  111   1HG   GLN  13          2HG       GLN  13  -7.686  -1.904   6.283
  112   2HG   GLN  13          1HG       GLN  13  -8.529  -3.450   6.482
  113   1HE2  GLN  13          2HE2      GLN  13  -7.253  -0.951   8.096
  114   2HE2  GLN  13          1HE2      GLN  13  -6.850  -1.773   9.685
  115    H    VAL  14           H        VAL  14  -4.531  -2.646   3.917
  116    HA   VAL  14           HA       VAL  14  -3.332  -5.198   2.976
  117    HB   VAL  14           HB       VAL  14  -4.583  -4.541   0.946
  118   1HG1  VAL  14          1HG2      VAL  14  -4.030  -2.435  -0.274
  119   2HG1  VAL  14          2HG2      VAL  14  -2.926  -1.937   1.031
  120   3HG1  VAL  14          3HG2      VAL  14  -4.681  -2.057   1.341
  121   1HG2  VAL  14          1HG1      VAL  14  -2.670  -4.536  -0.656
  122   2HG2  VAL  14          2HG1      VAL  14  -2.351  -5.661   0.692
  123   3HG2  VAL  14          3HG1      VAL  14  -1.548  -4.067   0.648
  124    H    ASP  15           H        ASP  15  -1.246  -5.190   3.373
  125    HA   ASP  15           HA       ASP  15  -0.104  -2.741   4.609
  126   1HB   ASP  15          1HB       ASP  15   1.283  -5.372   3.798
  127   2HB   ASP  15          2HB       ASP  15   1.987  -4.117   4.835
  128    H    ILE  16           H        ILE  16   1.453  -1.414   3.815
  129    HA   ILE  16           HA       ILE  16   1.225  -1.013   0.921
  130    HB   ILE  16           HB       ILE  16   3.167   0.278   2.921
  131   1HG1  ILE  16          2HG1      ILE  16   0.413   1.182   1.877
  132   2HG1  ILE  16          1HG1      ILE  16   0.703   0.485   3.475
  133   1HG2  ILE  16          1HG2      ILE  16   2.230   1.180   0.116
  134   2HG2  ILE  16          2HG2      ILE  16   3.308   2.106   1.195
  135   3HG2  ILE  16          3HG2      ILE  16   3.856   0.563   0.507
  136   1HD1  ILE  16          1HD1      ILE  16   0.664   2.951   3.672
  137   2HD1  ILE  16          2HD1      ILE  16   1.931   3.123   2.432
  138   3HD1  ILE  16          3HD1      ILE  16   2.319   2.377   4.006
  139    H    SER  17           H        SER  17   3.674  -2.425   3.006
  140    HA   SER  17           HA       SER  17   5.626  -2.498   0.750
  141   1HB   SER  17          2HB       SER  17   6.377  -2.242   3.132
  142   2HB   SER  17          1HB       SER  17   5.719  -3.843   3.522
  143    HG   SER  17           HG       SER  17   7.940  -3.885   3.024
  144    H    LYS  18           H        LYS  18   2.968  -4.304   1.599
  145    HA   LYS  18           HA       LYS  18   4.170  -6.913   0.677
  146   1HB   LYS  18          2HB       LYS  18   2.496  -6.817   2.566
  147   2HB   LYS  18          1HB       LYS  18   1.272  -6.209   1.442
  148   1HG   LYS  18          1HG       LYS  18   1.470  -8.315   0.073
  149   2HG   LYS  18          2HG       LYS  18   2.785  -8.877   1.114
  150   1HD   LYS  18          1HD       LYS  18   0.743  -9.992   1.824
  151   2HD   LYS  18          2HD       LYS  18   1.211  -8.860   3.099
  152   1HE   LYS  18          1HE       LYS  18  -0.469  -7.184   2.241
  153   2HE   LYS  18          2HE       LYS  18  -0.889  -8.279   0.908
  154   1HZ   LYS  18          1HZ       LYS  18  -2.415  -8.514   2.787
  155   2HZ   LYS  18          2HZ       LYS  18  -1.183  -8.924   3.807
  156   3HZ   LYS  18          3HZ       LYS  18  -1.592  -9.928   2.562
  157    H    ILE  19           H        ILE  19   2.612  -4.167  -0.580
  158    HA   ILE  19           HA       ILE  19   1.234  -5.483  -2.826
  159    HB   ILE  19           HB       ILE  19   2.393  -2.642  -2.638
  160   1HG1  ILE  19          1HG1      ILE  19  -0.378  -3.809  -1.956
  161   2HG1  ILE  19          2HG1      ILE  19   0.794  -3.170  -0.801
  162   1HG2  ILE  19          1HG2      ILE  19   1.863  -3.436  -4.989
  163   2HG2  ILE  19          2HG2      ILE  19   0.776  -2.128  -4.474
  164   3HG2  ILE  19          3HG2      ILE  19   0.202  -3.818  -4.470
  165   1HD1  ILE  19          1HD1      ILE  19  -0.652  -1.525  -2.984
  166   2HD1  ILE  19          2HD1      ILE  19  -0.928  -1.451  -1.229
  167   3HD1  ILE  19          3HD1      ILE  19   0.617  -0.877  -1.908
  168    H    LYS  20           H        LYS  20   2.342  -6.807  -4.048
  169    HA   LYS  20           HA       LYS  20   5.132  -5.940  -4.912
  170   1HB   LYS  20          1HB       LYS  20   3.716  -8.658  -5.222
  171   2HB   LYS  20          2HB       LYS  20   5.396  -8.316  -5.664
  172   1HG   LYS  20          2HG       LYS  20   5.895  -7.689  -3.268
  173   2HG   LYS  20          1HG       LYS  20   4.214  -8.034  -2.831
  174   1HD   LYS  20          2HD       LYS  20   4.500 -10.419  -3.610
  175   2HD   LYS  20          1HD       LYS  20   6.170 -10.069  -4.079
  176   1HE   LYS  20          1HE       LYS  20   6.148 -11.142  -1.847
  177   2HE   LYS  20          2HE       LYS  20   6.728  -9.473  -1.691
  178   1HZ   LYS  20          1HZ       LYS  20   3.929 -10.374  -1.173
  179   2HZ   LYS  20          2HZ       LYS  20   4.466  -8.818  -1.027
  180   3HZ   LYS  20          3HZ       LYS  20   5.047  -9.991  -0.018
  181    H    LYS  21           H        LYS  21   5.690  -5.816  -7.042
  182    HA   LYS  21           HA       LYS  21   5.286  -5.504  -9.401
  183   1HB   LYS  21          1HB       LYS  21   2.639  -6.954  -8.776
  184   2HB   LYS  21          2HB       LYS  21   3.280  -6.651 -10.393
  185   1HG   LYS  21          1HG       LYS  21   4.669  -8.364  -8.231
  186   2HG   LYS  21          2HG       LYS  21   3.717  -8.992  -9.578
  187   1HD   LYS  21          1HD       LYS  21   5.303  -7.878 -11.211
  188   2HD   LYS  21          2HD       LYS  21   6.298  -7.330  -9.852
  189   1HE   LYS  21          2HE       LYS  21   6.624  -9.722  -9.116
  190   2HE   LYS  21          1HE       LYS  21   5.624 -10.276 -10.473
  191   1HZ   LYS  21          1HZ       LYS  21   7.224  -9.235 -12.000
  192   2HZ   LYS  21          2HZ       LYS  21   7.986 -10.334 -11.030
  193   3HZ   LYS  21          3HZ       LYS  21   8.156  -8.717 -10.737
  194    H    VAL  22           H        VAL  22   5.187  -3.330  -9.198
  195    HA   VAL  22           HA       VAL  22   2.328  -2.248  -9.160
  196    HB   VAL  22           HB       VAL  22   3.205  -0.156  -8.120
  197   1HG1  VAL  22          1HG1      VAL  22   3.922  -2.699  -6.524
  198   2HG1  VAL  22          2HG1      VAL  22   2.290  -1.989  -6.665
  199   3HG1  VAL  22          3HG1      VAL  22   3.588  -1.089  -5.835
  200   1HG2  VAL  22          1HG2      VAL  22   5.865  -1.711  -7.873
  201   2HG2  VAL  22          2HG2      VAL  22   5.586  -0.290  -8.918
  202   3HG2  VAL  22          3HG2      VAL  22   5.514  -0.124  -7.146
  203    H    TRP  23           H        TRP  23   1.810  -0.787 -10.658
  204    HA   TRP  23           HA       TRP  23   3.974   0.425 -12.324
  205   1HB   TRP  23          2HB       TRP  23   3.290  -0.570 -14.463
  206   2HB   TRP  23          1HB       TRP  23   3.719  -1.864 -13.340
  207    HD1  TRP  23           HD1      TRP  23   0.701  -0.372 -15.246
  208    HE1  TRP  23           HE1      TRP  23  -1.380  -1.995 -15.072
  209    HE3  TRP  23           HE3      TRP  23   2.654  -3.426 -11.856
  210    HZ2  TRP  23           HZ2      TRP  23  -1.860  -4.248 -13.567
  211    HZ3  TRP  23           HZ3      TRP  23   1.350  -5.327 -11.059
  212    HH2  TRP  23           HH2      TRP  23  -0.874  -5.731 -11.908
  213    H    ARG  24           H        ARG  24   3.371   2.321 -13.037
  214    HA   ARG  24           HA       ARG  24   0.400   2.948 -12.740
  215   1HB   ARG  24          1HB       ARG  24   1.109   5.338 -12.476
  216   2HB   ARG  24          2HB       ARG  24   1.786   4.278 -11.234
  217   1HG   ARG  24          2HG       ARG  24   3.936   4.099 -12.584
  218   2HG   ARG  24          1HG       ARG  24   3.275   5.251 -13.753
  219   1HD   ARG  24          1HD       ARG  24   3.721   5.807 -10.750
  220   2HD   ARG  24          2HD       ARG  24   4.747   6.387 -12.075
  221    HE   ARG  24           HE       ARG  24   2.013   7.268 -12.615
  222   1HH1  ARG  24          2HH1      ARG  24   4.693   7.584 -10.432
  223   2HH1  ARG  24          1HH1      ARG  24   4.267   9.320 -10.019
  224   1HH2  ARG  24          2HH2      ARG  24   1.512   9.320 -12.123
  225   2HH2  ARG  24          1HH2      ARG  24   2.547  10.259 -10.933
  226    H    VAL  25           H        VAL  25  -0.707   3.192 -14.457
  227    HA   VAL  25           HA       VAL  25   0.652   4.409 -16.889
  228    HB   VAL  25           HB       VAL  25  -0.546   2.781 -18.383
  229   1HG1  VAL  25          1HG2      VAL  25   1.360   1.478 -16.339
  230   2HG1  VAL  25          2HG2      VAL  25   1.000   0.858 -17.972
  231   3HG1  VAL  25          3HG2      VAL  25   1.856   2.412 -17.776
  232   1HG2  VAL  25          1HG1      VAL  25  -1.452   0.667 -17.397
  233   2HG2  VAL  25          2HG1      VAL  25  -2.355   2.076 -16.784
  234   3HG2  VAL  25          3HG1      VAL  25  -1.140   1.274 -15.752
  235    H    GLY  26           H        GLY  26  -0.622   5.709 -18.065
  236   1HA   GLY  26          2HA       GLY  26  -2.708   6.825 -18.687
  237   2HA   GLY  26          1HA       GLY  26  -3.584   5.687 -17.642
  238    H    LYS  27           H        LYS  27  -3.698   6.082 -15.410
  239    HA   LYS  27           HA       LYS  27  -2.603   8.688 -14.395
  240   1HB   LYS  27          2HB       LYS  27  -5.641   8.233 -14.600
  241   2HB   LYS  27          1HB       LYS  27  -4.859   9.609 -13.809
  242   1HG   LYS  27          1HG       LYS  27  -3.736  10.196 -16.021
  243   2HG   LYS  27          2HG       LYS  27  -4.644   8.896 -16.803
  244   1HD   LYS  27          2HD       LYS  27  -5.884  11.305 -15.325
  245   2HD   LYS  27          1HD       LYS  27  -5.733  11.145 -17.079
  246   1HE   LYS  27          2HE       LYS  27  -7.159   9.036 -16.990
  247   2HE   LYS  27          1HE       LYS  27  -7.382   9.286 -15.246
  248   1HZ   LYS  27          1HZ       LYS  27  -8.149  11.240 -17.365
  249   2HZ   LYS  27          2HZ       LYS  27  -9.191  10.276 -16.520
  250   3HZ   LYS  27          3HZ       LYS  27  -8.355  11.470 -15.742
  251    H    MET  28           H        MET  28  -5.336   6.505 -13.683
  252    HA   MET  28           HA       MET  28  -4.742   6.584 -10.808
  253   1HB   MET  28          1HB       MET  28  -6.336   4.461 -12.380
  254   2HB   MET  28          2HB       MET  28  -6.309   4.638 -10.622
  255   1HG   MET  28          2HG       MET  28  -8.314   5.765 -11.364
  256   2HG   MET  28          1HG       MET  28  -7.177   7.054 -10.920
  257   1HE   MET  28          1HE       MET  28  -9.128   8.556 -13.977
  258   2HE   MET  28          2HE       MET  28  -8.611   8.789 -12.279
  259   3HE   MET  28          3HE       MET  28  -9.763   7.481 -12.694
  260    H    ILE  29           H        ILE  29  -4.060   4.786  -9.514
  261    HA   ILE  29           HA       ILE  29  -1.774   3.400 -10.967
  262    HB   ILE  29           HB       ILE  29  -2.225   3.993  -7.975
  263   1HG1  ILE  29          1HG1      ILE  29   0.075   5.129  -8.356
  264   2HG1  ILE  29          2HG1      ILE  29  -0.229   5.005 -10.089
  265   1HG2  ILE  29          1HG2      ILE  29  -1.133   1.766  -8.232
  266   2HG2  ILE  29          2HG2      ILE  29   0.040   2.449  -9.390
  267   3HG2  ILE  29          3HG2      ILE  29   0.062   2.965  -7.684
  268   1HD1  ILE  29          1HD1      ILE  29  -2.066   6.459  -8.060
  269   2HD1  ILE  29          2HD1      ILE  29  -2.300   6.433  -9.829
  270   3HD1  ILE  29          3HD1      ILE  29  -0.886   7.258  -9.132
  271    H    SER  30           H        SER  30  -2.055   1.422 -11.509
  272    HA   SER  30           HA       SER  30  -4.078  -0.234  -9.957
  273   1HB   SER  30          2HB       SER  30  -2.551  -0.882 -12.557
  274   2HB   SER  30          1HB       SER  30  -3.816  -1.890 -11.826
  275    HG   SER  30           HG       SER  30  -4.092   0.805 -12.689
  276    H    PHE  31           H        PHE  31  -3.491  -2.339  -9.236
  277    HA   PHE  31           HA       PHE  31  -0.624  -3.072  -9.139
  278   1HB   PHE  31          2HB       PHE  31  -0.254  -2.724  -6.710
  279   2HB   PHE  31          1HB       PHE  31  -0.575  -1.190  -7.520
  280    HD1  PHE  31           HD1      PHE  31  -1.907  -3.678  -5.215
  281    HD2  PHE  31           HD2      PHE  31  -2.658  -0.029  -7.139
  282    HE1  PHE  31           HE1      PHE  31  -3.714  -3.240  -3.677
  283    HE2  PHE  31           HE2      PHE  31  -4.467   0.409  -5.601
  284    HZ   PHE  31           HZ       PHE  31  -5.003  -1.196  -3.865
  285    H    THR  32           H        THR  32  -0.277  -4.788  -7.406
  286    HA   THR  32           HA       THR  32  -2.833  -6.458  -7.220
  287    HB   THR  32           HB       THR  32  -1.412  -8.496  -7.547
  288    HG1  THR  32           HG1      THR  32   0.707  -8.129  -8.296
  289   1HG2  THR  32          1HG2      THR  32  -1.078  -6.407  -9.801
  290   2HG2  THR  32          2HG2      THR  32  -2.520  -7.426  -9.548
  291   3HG2  THR  32          3HG2      THR  32  -0.963  -8.175  -9.992
  292    H    TYR  33           H        TYR  33  -2.995  -7.766  -5.399
  293    HA   TYR  33           HA       TYR  33  -0.876  -7.285  -3.278
  294   1HB   TYR  33          2HB       TYR  33  -2.532  -6.565  -1.615
  295   2HB   TYR  33          1HB       TYR  33  -2.586  -5.479  -3.006
  296    HD1  TYR  33           HD1      TYR  33  -4.381  -7.939  -1.080
  297    HD2  TYR  33           HD2      TYR  33  -4.449  -5.709  -4.631
  298    HE1  TYR  33           HE1      TYR  33  -6.739  -8.394  -1.321
  299    HE2  TYR  33           HE2      TYR  33  -6.807  -6.169  -4.873
  300    HH   TYR  33           HH       TYR  33  -8.560  -7.144  -4.049
  301    H    ASP  34           H        ASP  34  -0.685  -8.850  -1.802
  302    HA   ASP  34           HA       ASP  34  -2.113 -11.412  -2.501
  303   1HB   ASP  34          2HB       ASP  34   0.368 -11.377  -2.023
  304   2HB   ASP  34          1HB       ASP  34   0.049 -10.793  -0.384
  305    H    GLU  35           H        GLU  35  -3.480 -12.502  -1.116
  306    HA   GLU  35           HA       GLU  35  -4.221 -10.975   1.379
  307   1HB   GLU  35          1HB       GLU  35  -6.615 -10.992   0.861
  308   2HB   GLU  35          2HB       GLU  35  -5.701 -10.119  -0.375
  309   1HG   GLU  35          2HG       GLU  35  -5.766 -12.145  -1.871
  310   2HG   GLU  35          1HG       GLU  35  -6.661 -13.039  -0.628
  311    HE2  GLU  35           HE2      GLU  35  -6.683 -10.763  -3.010
  312    H    GLY  36           H        GLY  36  -4.701 -14.961   1.530
  313   1HA   GLY  36          1HA       GLY  36  -4.558 -13.891  -1.217
  314   2HA   GLY  36          2HA       GLY  36  -2.930 -13.940  -0.485
  315    H    GLY  37           H        GLY  37  -1.865 -15.772  -0.496
  316   1HA   GLY  37          1HA       GLY  37  -1.626 -18.213  -0.322
  317   2HA   GLY  37          2HA       GLY  37  -3.387 -18.370  -0.461
  318    H    GLY  38           H        GLY  38  -4.288 -17.705  -2.624
  319   1HA   GLY  38          2HA       GLY  38  -2.406 -18.013  -4.934
  320   2HA   GLY  38          1HA       GLY  38  -3.389 -19.465  -4.656
  321    H    LYS  39           H        LYS  39  -4.045 -15.973  -4.413
  322    HA   LYS  39           HA       LYS  39  -6.159 -16.376  -6.572
  323   1HB   LYS  39          2HB       LYS  39  -6.558 -14.822  -3.941
  324   2HB   LYS  39          1HB       LYS  39  -7.731 -14.914  -5.263
  325   1HG   LYS  39          2HG       LYS  39  -7.824 -17.422  -5.010
  326   2HG   LYS  39          1HG       LYS  39  -6.644 -17.335  -3.692
  327   1HD   LYS  39          1HD       LYS  39  -8.222 -15.874  -2.371
  328   2HD   LYS  39          2HD       LYS  39  -9.388 -15.923  -3.702
  329   1HE   LYS  39          2HE       LYS  39 -10.019 -17.597  -1.987
  330   2HE   LYS  39          1HE       LYS  39  -9.555 -18.429  -3.483
  331   1HZ   LYS  39          1HZ       LYS  39  -7.332 -18.778  -2.522
  332   2HZ   LYS  39          2HZ       LYS  39  -8.493 -19.430  -1.544
  333   3HZ   LYS  39          3HZ       LYS  39  -7.768 -18.005  -1.130
  334    H    THR  40           H        THR  40  -4.158 -14.223  -4.652
  335    HA   THR  40           HA       THR  40  -3.191 -12.107  -5.220
  336    HB   THR  40           HB       THR  40  -3.465 -13.275  -8.052
  337    HG1  THR  40           HG1      THR  40  -1.423 -13.422  -6.087
  338   1HG2  THR  40          1HG2      THR  40  -1.464 -11.816  -8.519
  339   2HG2  THR  40          2HG2      THR  40  -1.555 -11.154  -6.864
  340   3HG2  THR  40          3HG2      THR  40  -2.867 -10.830  -8.031
  341    H    GLY  41           H        GLY  41  -4.965 -10.932  -4.531
  342   1HA   GLY  41          1HA       GLY  41  -7.237 -10.352  -6.317
  343   2HA   GLY  41          2HA       GLY  41  -6.833  -9.420  -4.862
  344    H    ARG  42           H        ARG  42  -7.722  -8.035  -6.921
  345    HA   ARG  42           HA       ARG  42  -5.288  -6.430  -7.633
  346   1HB   ARG  42          1HB       ARG  42  -5.412  -8.146  -9.457
  347   2HB   ARG  42          2HB       ARG  42  -7.091  -7.698  -9.790
  348   1HG   ARG  42          2HG       ARG  42  -6.370  -5.370 -10.408
  349   2HG   ARG  42          1HG       ARG  42  -4.696  -5.762  -9.985
  350   1HD   ARG  42          1HD       ARG  42  -5.002  -5.948 -12.434
  351   2HD   ARG  42          2HD       ARG  42  -4.653  -7.551 -11.758
  352    HE   ARG  42           HE       ARG  42  -7.556  -7.233 -11.830
  353   1HH1  ARG  42          1HH2      ARG  42  -4.706  -7.422 -13.803
  354   2HH1  ARG  42          2HH2      ARG  42  -5.614  -8.196 -15.197
  355   1HH2  ARG  42          2HH1      ARG  42  -8.626  -8.149 -13.481
  356   2HH2  ARG  42          1HH1      ARG  42  -7.733  -8.589 -15.023
  357    H    GLY  43           H        GLY  43  -5.748  -4.337  -8.070
  358   1HA   GLY  43          2HA       GLY  43  -8.557  -3.478  -8.598
  359   2HA   GLY  43          1HA       GLY  43  -8.071  -3.159  -6.920
  360    H    ALA  44           H        ALA  44  -8.283  -0.926  -7.350
  361    HA   ALA  44           HA       ALA  44  -5.708   0.241  -8.259
  362   1HB   ALA  44          1HB       ALA  44  -8.249   0.811  -9.928
  363   2HB   ALA  44          2HB       ALA  44  -6.675   1.623 -10.134
  364   3HB   ALA  44          3HB       ALA  44  -6.832  -0.119 -10.487
  365    H    VAL  45           H        VAL  45  -5.791   2.641  -8.180
  366    HA   VAL  45           HA       VAL  45  -8.082   3.791  -6.667
  367    HB   VAL  45           HB       VAL  45  -6.871   2.598  -4.860
  368   1HG1  VAL  45          1HG2      VAL  45  -4.569   3.296  -4.200
  369   2HG1  VAL  45          2HG2      VAL  45  -4.477   4.407  -5.588
  370   3HG1  VAL  45          3HG2      VAL  45  -4.559   2.645  -5.858
  371   1HG2  VAL  45          1HG1      VAL  45  -8.034   4.768  -4.359
  372   2HG2  VAL  45          2HG1      VAL  45  -6.600   4.546  -3.322
  373   3HG2  VAL  45          3HG1      VAL  45  -6.529   5.662  -4.711
  374    H    SER  46           H        SER  46  -8.252   5.857  -7.100
  375    HA   SER  46           HA       SER  46  -6.311   6.994  -9.016
  376   1HB   SER  46          2HB       SER  46  -8.592   8.384  -7.470
  377   2HB   SER  46          1HB       SER  46  -7.733   9.065  -8.869
  378    HG   SER  46           HG       SER  46  -8.419   7.238 -10.066
  379    H    GLU  47           H        GLU  47  -4.971   8.758  -8.744
  380    HA   GLU  47           HA       GLU  47  -3.688   8.754  -6.072
  381   1HB   GLU  47          1HB       GLU  47  -2.041  10.317  -7.081
  382   2HB   GLU  47          2HB       GLU  47  -2.320   8.919  -8.126
  383   1HG   GLU  47          2HG       GLU  47  -3.935  10.277  -9.521
  384   2HG   GLU  47          1HG       GLU  47  -3.657  11.681  -8.474
  385    H    LYS  48           H        LYS  48  -6.188  10.533  -7.502
  386    HA   LYS  48           HA       LYS  48  -5.682  13.077  -6.103
  387   1HB   LYS  48          2HB       LYS  48  -7.234  12.933  -8.045
  388   2HB   LYS  48          1HB       LYS  48  -8.303  11.840  -7.152
  389   1HG   LYS  48          2HG       LYS  48  -8.646  13.627  -5.390
  390   2HG   LYS  48          1HG       LYS  48  -7.644  14.741  -6.330
  391   1HD   LYS  48          2HD       LYS  48 -10.232  13.402  -7.350
  392   2HD   LYS  48          1HD       LYS  48 -10.130  15.043  -6.698
  393   1HE   LYS  48          2HE       LYS  48  -8.472  15.659  -8.515
  394   2HE   LYS  48          1HE       LYS  48  -8.643  14.033  -9.206
  395   1HZ   LYS  48          1HZ       LYS  48 -11.031  14.460  -9.472
  396   2HZ   LYS  48          2HZ       LYS  48 -10.148  15.607 -10.268
  397   3HZ   LYS  48          3HZ       LYS  48 -10.876  15.974  -8.831
  398    H    ASP  49           H        ASP  49  -7.257  10.052  -5.295
  399    HA   ASP  49           HA       ASP  49  -7.651  11.215  -2.493
  400   1HB   ASP  49          1HB       ASP  49  -9.411   9.120  -3.913
  401   2HB   ASP  49          2HB       ASP  49  -9.632   9.688  -2.249
  402    H    ALA  50           H        ALA  50  -5.304  10.245  -2.927
  403    HA   ALA  50           HA       ALA  50  -5.485   7.388  -1.867
  404   1HB   ALA  50          1HB       ALA  50  -3.193   7.028  -2.882
  405   2HB   ALA  50          2HB       ALA  50  -4.376   7.517  -4.124
  406   3HB   ALA  50          3HB       ALA  50  -3.204   8.704  -3.493
  407    HA   PRO  51           HA       PRO  51  -3.636   8.806   1.905
  408   1HB   PRO  51          2HB       PRO  51  -1.606   6.572   1.424
  409   2HB   PRO  51          1HB       PRO  51  -2.503   6.927   2.926
  410   1HG   PRO  51          2HG       PRO  51  -3.351   4.881   1.367
  411   2HG   PRO  51          1HG       PRO  51  -4.562   6.030   1.997
  412   1HD   PRO  51          1HD       PRO  51  -3.371   5.937  -0.821
  413   2HD   PRO  51          2HD       PRO  51  -5.071   6.229  -0.311
  414    H    LYS  52           H        LYS  52  -1.972  10.102   2.585
  415    HA   LYS  52           HA       LYS  52  -0.386  11.209   0.345
  416   1HB   LYS  52          2HB       LYS  52  -1.382  12.626   2.166
  417   2HB   LYS  52          1HB       LYS  52  -0.303  11.878   3.352
  418   1HG   LYS  52          2HG       LYS  52   0.609  14.064   2.558
  419   2HG   LYS  52          1HG       LYS  52   1.699  12.738   2.128
  420   1HD   LYS  52          1HD       LYS  52   0.679  12.653  -0.184
  421   2HD   LYS  52          2HD       LYS  52  -0.403  13.986   0.246
  422   1HE   LYS  52          1HE       LYS  52   1.595  15.464   0.708
  423   2HE   LYS  52          2HE       LYS  52   2.682  14.128   0.280
  424   1HZ   LYS  52          1HZ       LYS  52   0.656  15.340  -1.548
  425   2HZ   LYS  52          2HZ       LYS  52   2.288  15.593  -1.615
  426   3HZ   LYS  52          3HZ       LYS  52   1.670  14.097  -1.945
  427    H    GLU  53           H        GLU  53   0.220   9.041   3.004
  428    HA   GLU  53           HA       GLU  53   3.152   9.356   2.857
  429   1HB   GLU  53          1HB       GLU  53   1.478   7.022   3.971
  430   2HB   GLU  53          2HB       GLU  53   3.215   7.243   4.229
  431   1HG   GLU  53          2HG       GLU  53   2.763   9.488   5.314
  432   2HG   GLU  53          1HG       GLU  53   1.022   9.235   5.097
  433    H    LEU  54           H        LEU  54   0.804   7.642   1.030
  434    HA   LEU  54           HA       LEU  54   2.755   5.625   0.028
  435   1HB   LEU  54          2HB       LEU  54   0.128   5.526   0.157
  436   2HB   LEU  54          1HB       LEU  54   0.129   6.425  -1.357
  437    HG   LEU  54           HG       LEU  54   1.599   3.750  -0.896
  438   1HD1  LEU  54          1HD2      LEU  54  -0.335   2.736  -2.122
  439   2HD1  LEU  54          2HD2      LEU  54  -0.881   3.534  -0.622
  440   3HD1  LEU  54          3HD2      LEU  54  -1.136   4.329  -2.199
  441   1HD2  LEU  54          1HD1      LEU  54   1.545   3.628  -3.430
  442   2HD2  LEU  54          2HD1      LEU  54   2.536   4.985  -2.849
  443   3HD2  LEU  54          3HD1      LEU  54   0.894   5.287  -3.484
  444    H    LEU  55           H        LEU  55   1.586   8.820  -0.820
  445    HA   LEU  55           HA       LEU  55   2.829   8.802  -3.506
  446   1HB   LEU  55          1HB       LEU  55   2.128  11.185  -1.684
  447   2HB   LEU  55          2HB       LEU  55   2.519  11.301  -3.402
  448    HG   LEU  55           HG       LEU  55   0.148   9.706  -2.252
  449   1HD1  LEU  55          1HD2      LEU  55  -1.229  11.589  -3.170
  450   2HD1  LEU  55          2HD2      LEU  55  -0.090  12.183  -1.932
  451   3HD1  LEU  55          3HD2      LEU  55   0.255  12.448  -3.663
  452   1HD2  LEU  55          1HD1      LEU  55   0.913  10.457  -5.151
  453   2HD2  LEU  55          2HD1      LEU  55   0.930   8.811  -4.463
  454   3HD2  LEU  55          3HD1      LEU  55  -0.613   9.678  -4.661
  455    H    GLN  56           H        GLN  56   3.847   9.600  -0.247
  456    HA   GLN  56           HA       GLN  56   6.389  10.813  -1.213
  457   1HB   GLN  56          2HB       GLN  56   5.618   9.761   1.579
  458   2HB   GLN  56          1HB       GLN  56   7.080  10.689   1.213
  459   1HG   GLN  56          1HG       GLN  56   5.656  12.599   0.363
  460   2HG   GLN  56          2HG       GLN  56   4.193  11.683   0.764
  461   1HE2  GLN  56          2HE2      GLN  56   6.148  14.034   1.803
  462   2HE2  GLN  56          1HE2      GLN  56   5.889  13.889   3.614
  463    H    MET  57           H        MET  57   5.191   7.648  -0.577
  464    HA   MET  57           HA       MET  57   7.888   6.434  -0.232
  465   1HB   MET  57          1HB       MET  57   5.787   5.304   0.567
  466   2HB   MET  57          2HB       MET  57   5.222   5.155  -1.103
  467   1HG   MET  57          2HG       MET  57   7.241   3.743  -1.670
  468   2HG   MET  57          1HG       MET  57   7.834   3.924  -0.003
  469   1HE   MET  57          1HE       MET  57   7.963   1.310   0.238
  470   2HE   MET  57          2HE       MET  57   7.365   1.130  -1.441
  471   3HE   MET  57          3HE       MET  57   6.605   0.199  -0.115
  472    H    LEU  58           H        LEU  58   5.795   7.389  -2.828
  473    HA   LEU  58           HA       LEU  58   8.052   6.652  -4.726
  474   1HB   LEU  58          2HB       LEU  58   5.054   6.252  -5.311
  475   2HB   LEU  58          1HB       LEU  58   6.346   6.058  -6.497
  476    HG   LEU  58           HG       LEU  58   6.104   4.412  -3.905
  477   1HD1  LEU  58          1HD1      LEU  58   4.232   3.968  -5.516
  478   2HD1  LEU  58          2HD1      LEU  58   5.350   2.579  -5.441
  479   3HD1  LEU  58          3HD1      LEU  58   5.412   3.701  -6.828
  480   1HD2  LEU  58          1HD2      LEU  58   7.909   4.096  -6.395
  481   2HD2  LEU  58          2HD2      LEU  58   7.801   2.932  -5.049
  482   3HD2  LEU  58          3HD2      LEU  58   8.462   4.560  -4.764
  483    H    GLU  59           H        GLU  59   7.472  10.207  -5.172
  484    HA   GLU  59           HA       GLU  59   8.726   8.520  -3.208
  485   1HB   GLU  59          2HB       GLU  59  10.558   7.438  -4.522
  486   2HB   GLU  59          1HB       GLU  59   8.978   6.848  -5.042
  487   1HG   GLU  59          2HG       GLU  59   9.007   8.472  -6.982
  488   2HG   GLU  59          1HG       GLU  59  10.595   9.061  -6.461
  489    H    LYS  60           H        LYS  60  11.335   8.874  -3.555
  490    HA   LYS  60           HA       LYS  60  11.624  11.797  -4.302
  491   1HB   LYS  60          2HB       LYS  60  13.125  12.174  -2.279
  492   2HB   LYS  60          1HB       LYS  60  11.406  11.999  -1.952
  493   1HG   LYS  60          2HG       LYS  60  12.491  10.771  -0.249
  494   2HG   LYS  60          1HG       LYS  60  11.790   9.556  -1.313
  495   1HD   LYS  60          1HD       LYS  60  14.041   9.160  -2.355
  496   2HD   LYS  60          2HD       LYS  60  14.728  10.502  -1.426
  497   1HE   LYS  60          1HE       LYS  60  15.261   8.346  -0.321
  498   2HE   LYS  60          2HE       LYS  60  14.191   9.304   0.722
  499   1HZ   LYS  60          1HZ       LYS  60  13.429   7.007   0.534
  500   2HZ   LYS  60          2HZ       LYS  60  13.299   7.121  -1.109
  501   3HZ   LYS  60          3HZ       LYS  60  12.301   8.010  -0.138
  502    H    GLN  61           H        GLN  61  13.727  12.425  -4.845
  503    HA   GLN  61           HA       GLN  61  15.496  10.029  -5.524
  504   1HB   GLN  61          2HB       GLN  61  14.762  12.361  -7.401
  505   2HB   GLN  61          1HB       GLN  61  15.939  11.093  -7.768
  506   1HG   GLN  61          1HG       GLN  61  14.129   9.340  -7.520
  507   2HG   GLN  61          2HG       GLN  61  12.946  10.615  -7.186
  508   1HE2  GLN  61          1HE2      GLN  61  12.155  11.831  -8.803
  509   2HE2  GLN  61          2HE2      GLN  61  12.557  11.550 -10.571
  510    H    LYS  62           H        LYS  62  17.655  10.862  -6.382
  511    HA   LYS  62           HA       LYS  62  18.522  13.506  -5.475
  512   1HB   LYS  62          1HB       LYS  62  19.719  13.040  -3.470
  513   2HB   LYS  62          2HB       LYS  62  18.110  12.367  -3.224
  514   1HG   LYS  62          2HG       LYS  62  20.598  10.735  -4.067
  515   2HG   LYS  62          1HG       LYS  62  20.029  10.923  -2.412
  516   1HD   LYS  62          1HD       LYS  62  17.799   9.899  -3.069
  517   2HD   LYS  62          2HD       LYS  62  18.453   9.581  -4.685
  518   1HE   LYS  62          2HE       LYS  62  19.646   8.526  -2.043
  519   2HE   LYS  62          1HE       LYS  62  18.669   7.580  -3.183
  520   1HZ   LYS  62          1HZ       LYS  62  20.369   7.988  -4.889
  521   2HZ   LYS  62          2HZ       LYS  62  21.281   8.868  -3.830
  522   3HZ   LYS  62          3HZ       LYS  62  21.040   7.255  -3.570
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1   0.227   0.955  10.143
    2   2H    ALA   1          2H        ALA   1   1.200   2.290  10.152
    3   3H    ALA   1          3H        ALA   1   1.393   1.135   8.987
    4    HA   ALA   1           HA       ALA   1  -1.005   2.875   9.311
    5   1HB   ALA   1          1HB       ALA   1  -0.214   3.905   7.150
    6   2HB   ALA   1          2HB       ALA   1   1.227   2.852   7.169
    7   3HB   ALA   1          3HB       ALA   1   1.015   4.096   8.430
    8    H    THR   2           H        THR   2  -2.528   2.619   7.636
    9    HA   THR   2           HA       THR   2  -2.221   0.285   5.805
   10    HB   THR   2           HB       THR   2  -2.785  -0.870   7.921
   11    HG1  THR   2           HG1      THR   2  -4.655  -1.883   7.132
   12   1HG2  THR   2          1HG2      THR   2  -5.010  -0.480   9.013
   13   2HG2  THR   2          2HG2      THR   2  -4.025   1.004   9.065
   14   3HG2  THR   2          3HG2      THR   2  -5.353   0.854   7.882
   15    H    VAL   3           H        VAL   3  -4.036  -0.001   4.424
   16    HA   VAL   3           HA       VAL   3  -5.780   2.513   4.325
   17    HB   VAL   3           HB       VAL   3  -4.377   1.078   1.991
   18   1HG1  VAL   3          1HG2      VAL   3  -5.406   2.898   0.576
   19   2HG1  VAL   3          2HG2      VAL   3  -6.321   3.481   1.991
   20   3HG1  VAL   3          3HG2      VAL   3  -6.661   1.866   1.308
   21   1HG2  VAL   3          1HG1      VAL   3  -2.879   2.592   3.310
   22   2HG2  VAL   3          2HG1      VAL   3  -4.068   3.915   3.164
   23   3HG2  VAL   3          3HG1      VAL   3  -3.233   3.301   1.712
   24    H    LYS   4           H        LYS   4  -7.837   2.120   4.165
   25    HA   LYS   4           HA       LYS   4  -8.644  -0.681   3.234
   26   1HB   LYS   4          2HB       LYS   4 -10.601  -0.570   4.793
   27   2HB   LYS   4          1HB       LYS   4  -9.056  -0.571   5.651
   28   1HG   LYS   4          1HG       LYS   4  -9.179   1.951   5.859
   29   2HG   LYS   4          2HG       LYS   4 -10.751   1.926   5.040
   30   1HD   LYS   4          1HD       LYS   4 -11.657   0.392   6.830
   31   2HD   LYS   4          2HD       LYS   4 -10.093   0.426   7.653
   32   1HE   LYS   4          1HE       LYS   4 -10.305   2.931   7.963
   33   2HE   LYS   4          2HE       LYS   4 -11.873   2.899   7.130
   34   1HZ   LYS   4          1HZ       LYS   4 -12.686   1.368   8.849
   35   2HZ   LYS   4          2HZ       LYS   4 -11.228   1.397   9.625
   36   3HZ   LYS   4          3HZ       LYS   4 -12.143   2.770   9.534
   37    H    PHE   5           H        PHE   5  -9.553  -0.506   1.374
   38    HA   PHE   5           HA       PHE   5 -11.078   2.060   0.776
   39   1HB   PHE   5          2HB       PHE   5 -10.927   1.426  -1.607
   40   2HB   PHE   5          1HB       PHE   5  -9.324   1.471  -0.868
   41    HD1  PHE   5           HD1      PHE   5 -11.850  -0.630  -2.362
   42    HD2  PHE   5           HD2      PHE   5  -8.163  -0.628  -0.369
   43    HE1  PHE   5           HE1      PHE   5 -11.449  -2.898  -3.102
   44    HE2  PHE   5           HE2      PHE   5  -7.762  -2.895  -1.108
   45    HZ   PHE   5           HZ       PHE   5  -9.406  -4.032  -2.473
   46    H    LYS   6           H        LYS   6 -13.178   2.065   0.692
   47    HA   LYS   6           HA       LYS   6 -14.516  -0.633   0.987
   48   1HB   LYS   6          2HB       LYS   6 -16.400   0.423   1.940
   49   2HB   LYS   6          1HB       LYS   6 -15.016   1.220   2.672
   50   1HG   LYS   6          2HG       LYS   6 -16.740   2.306   0.348
   51   2HG   LYS   6          1HG       LYS   6 -16.864   2.793   2.033
   52   1HD   LYS   6          2HD       LYS   6 -14.419   3.262   0.222
   53   2HD   LYS   6          1HD       LYS   6 -15.620   4.464   0.694
   54   1HE   LYS   6          1HE       LYS   6 -15.006   4.119   3.132
   55   2HE   LYS   6          2HE       LYS   6 -13.747   2.970   2.638
   56   1HZ   LYS   6          1HZ       LYS   6 -13.898   5.821   1.774
   57   2HZ   LYS   6          2HZ       LYS   6 -12.728   4.750   1.311
   58   3HZ   LYS   6          3HZ       LYS   6 -12.850   5.207   2.894
   59    H    TYR   7           H        TYR   7 -15.751  -1.491  -0.468
   60    HA   TYR   7           HA       TYR   7 -17.079   0.127  -2.570
   61   1HB   TYR   7          2HB       TYR   7 -14.726   0.192  -3.411
   62   2HB   TYR   7          1HB       TYR   7 -14.638  -1.573  -3.358
   63    HD1  TYR   7           HD1      TYR   7 -16.885   1.074  -4.715
   64    HD2  TYR   7           HD2      TYR   7 -15.125  -2.687  -5.300
   65    HE1  TYR   7           HE1      TYR   7 -17.868   0.955  -6.920
   66    HE2  TYR   7           HE2      TYR   7 -16.110  -2.804  -7.505
   67    HH   TYR   7           HH       TYR   7 -18.109  -0.199  -8.738
   68    H    LYS   8           H        LYS   8 -18.961  -2.992  -2.328
   69    HA   LYS   8           HA       LYS   8 -19.048  -0.053  -2.703
   70   1HB   LYS   8          1HB       LYS   8 -20.997  -1.920  -1.232
   71   2HB   LYS   8          2HB       LYS   8 -21.341  -0.260  -1.728
   72   1HG   LYS   8          2HG       LYS   8 -20.672  -2.584  -3.648
   73   2HG   LYS   8          1HG       LYS   8 -22.291  -1.972  -3.304
   74   1HD   LYS   8          2HD       LYS   8 -21.607   0.313  -4.160
   75   2HD   LYS   8          1HD       LYS   8 -20.011  -0.335  -4.577
   76   1HE   LYS   8          1HE       LYS   8 -21.093  -2.046  -6.086
   77   2HE   LYS   8          2HE       LYS   8 -22.692  -1.392  -5.676
   78   1HZ   LYS   8          1HZ       LYS   8 -20.485   0.157  -6.957
   79   2HZ   LYS   8          2HZ       LYS   8 -21.974   0.765  -6.576
   80   3HZ   LYS   8          3HZ       LYS   8 -21.832  -0.414  -7.724
   81    H    GLY   9           H        GLY   9 -18.853  -0.762   1.377
   82   1HA   GLY   9          1HA       GLY   9 -21.106  -2.016   0.485
   83   2HA   GLY   9          2HA       GLY   9 -19.949  -2.778  -0.631
   84    H    GLU  10           H        GLU  10 -17.822  -3.314   0.575
   85    HA   GLU  10           HA       GLU  10 -18.421  -4.430   3.331
   86   1HB   GLU  10          1HB       GLU  10 -17.161  -6.062   1.033
   87   2HB   GLU  10          2HB       GLU  10 -17.212  -6.578   2.723
   88   1HG   GLU  10          2HG       GLU  10 -19.736  -6.476   2.683
   89   2HG   GLU  10          1HG       GLU  10 -19.687  -5.979   0.983
   90    H    GLU  11           H        GLU  11 -16.724  -4.215   4.660
   91    HA   GLU  11           HA       GLU  11 -14.583  -2.433   3.725
   92   1HB   GLU  11          1HB       GLU  11 -15.452  -2.497   6.096
   93   2HB   GLU  11          2HB       GLU  11 -14.761  -4.111   6.309
   94   1HG   GLU  11          1HG       GLU  11 -12.454  -3.184   5.853
   95   2HG   GLU  11          2HG       GLU  11 -13.150  -1.572   5.617
   96    H    LEU  12           H        LEU  12 -12.619  -2.848   3.010
   97    HA   LEU  12           HA       LEU  12 -11.567  -5.674   3.308
   98   1HB   LEU  12          1HB       LEU  12 -12.945  -5.256   1.118
   99   2HB   LEU  12          2HB       LEU  12 -11.585  -4.279   0.567
  100    HG   LEU  12           HG       LEU  12 -11.368  -7.206   1.515
  101   1HD1  LEU  12          1HD1      LEU  12 -11.564  -6.052  -1.339
  102   2HD1  LEU  12          2HD1      LEU  12 -12.835  -6.985  -0.504
  103   3HD1  LEU  12          3HD1      LEU  12 -11.289  -7.767  -0.927
  104   1HD2  LEU  12          1HD2      LEU  12  -9.174  -6.003   1.593
  105   2HD2  LEU  12          2HD2      LEU  12  -9.187  -7.155   0.235
  106   3HD2  LEU  12          3HD2      LEU  12  -9.416  -5.414  -0.075
  107    H    GLN  13           H        GLN  13 -10.070  -4.848   4.684
  108    HA   GLN  13           HA       GLN  13  -8.315  -2.616   3.614
  109   1HB   GLN  13          1HB       GLN  13  -9.283  -2.444   5.929
  110   2HB   GLN  13          2HB       GLN  13  -8.448  -3.932   6.396
  111   1HG   GLN  13          1HG       GLN  13  -6.223  -2.848   5.908
  112   2HG   GLN  13          2HG       GLN  13  -7.052  -1.368   5.396
  113   1HE2  GLN  13          2HE2      GLN  13  -6.624  -3.601   8.096
  114   2HE2  GLN  13          1HE2      GLN  13  -6.897  -2.347   9.408
  115    H    VAL  14           H        VAL  14  -6.356  -2.937   2.911
  116    HA   VAL  14           HA       VAL  14  -5.049  -5.612   3.599
  117    HB   VAL  14           HB       VAL  14  -4.804  -4.106   0.925
  118   1HG1  VAL  14          1HG1      VAL  14  -3.630  -6.212   0.206
  119   2HG1  VAL  14          2HG1      VAL  14  -2.756  -5.413   1.539
  120   3HG1  VAL  14          3HG1      VAL  14  -3.758  -6.854   1.863
  121   1HG2  VAL  14          1HG2      VAL  14  -6.088  -6.064  -0.005
  122   2HG2  VAL  14          2HG2      VAL  14  -7.070  -5.155   1.172
  123   3HG2  VAL  14          3HG2      VAL  14  -6.315  -6.702   1.645
  124    H    ASP  15           H        ASP  15  -2.991  -5.506   4.241
  125    HA   ASP  15           HA       ASP  15  -2.035  -2.886   5.143
  126   1HB   ASP  15          2HB       ASP  15  -1.482  -5.180   6.164
  127   2HB   ASP  15          1HB       ASP  15  -0.366  -5.456   4.819
  128    H    ILE  16           H        ILE  16  -0.048  -1.861   4.500
  129    HA   ILE  16           HA       ILE  16  -0.025  -1.749   1.499
  130    HB   ILE  16           HB       ILE  16   1.367   0.292   1.805
  131   1HG1  ILE  16          1HG1      ILE  16   1.047  -0.285   4.815
  132   2HG1  ILE  16          2HG1      ILE  16   2.546  -0.500   3.903
  133   1HG2  ILE  16          1HG2      ILE  16  -1.156   0.354   1.838
  134   2HG2  ILE  16          2HG2      ILE  16  -1.131   0.197   3.615
  135   3HG2  ILE  16          3HG2      ILE  16  -0.451   1.649   2.834
  136   1HD1  ILE  16          1HD1      ILE  16   2.587   1.705   5.035
  137   2HD1  ILE  16          2HD1      ILE  16   2.516   1.961   3.272
  138   3HD1  ILE  16          3HD1      ILE  16   1.052   2.181   4.268
  139    H    SER  17           H        SER  17   1.652  -3.435   3.804
  140    HA   SER  17           HA       SER  17   4.312  -3.081   2.487
  141   1HB   SER  17          1HB       SER  17   5.142  -4.686   4.196
  142   2HB   SER  17          2HB       SER  17   4.135  -3.445   4.969
  143    HG   SER  17           HG       SER  17   2.378  -4.915   4.819
  144    H    LYS  18           H        LYS  18   1.565  -4.929   1.936
  145    HA   LYS  18           HA       LYS  18   3.175  -7.238   0.814
  146   1HB   LYS  18          2HB       LYS  18   0.139  -6.785   0.991
  147   2HB   LYS  18          1HB       LYS  18   0.896  -8.225   0.293
  148   1HG   LYS  18          2HG       LYS  18   2.111  -8.643   2.469
  149   2HG   LYS  18          1HG       LYS  18   1.293  -7.255   3.196
  150   1HD   LYS  18          2HD       LYS  18  -0.128  -9.723   2.009
  151   2HD   LYS  18          1HD       LYS  18   0.199  -9.468   3.728
  152   1HE   LYS  18          2HE       LYS  18  -1.166  -7.324   3.657
  153   2HE   LYS  18          1HE       LYS  18  -1.563  -7.657   1.959
  154   1HZ   LYS  18          1HZ       LYS  18  -2.549  -9.777   2.668
  155   2HZ   LYS  18          2HZ       LYS  18  -2.183  -9.465   4.248
  156   3HZ   LYS  18          3HZ       LYS  18  -3.271  -8.513   3.449
  157    H    ILE  19           H        ILE  19   2.276  -4.232  -0.154
  158    HA   ILE  19           HA       ILE  19   1.536  -4.991  -2.960
  159    HB   ILE  19           HB       ILE  19   2.500  -2.278  -1.884
  160   1HG1  ILE  19          2HG1      ILE  19  -0.334  -3.458  -2.160
  161   2HG1  ILE  19          1HG1      ILE  19   0.493  -3.086  -0.646
  162   1HG2  ILE  19          1HG2      ILE  19   0.894  -3.060  -4.407
  163   2HG2  ILE  19          2HG2      ILE  19   2.617  -2.606  -4.391
  164   3HG2  ILE  19          3HG2      ILE  19   1.383  -1.404  -3.957
  165   1HD1  ILE  19          1HD1      ILE  19  -1.079  -1.253  -1.168
  166   2HD1  ILE  19          2HD1      ILE  19  -0.362  -1.014  -2.777
  167   3HD1  ILE  19          3HD1      ILE  19   0.582  -0.624  -1.313
  168    H    LYS  20           H        LYS  20   2.943  -5.454  -4.503
  169    HA   LYS  20           HA       LYS  20   5.803  -4.497  -4.170
  170   1HB   LYS  20          2HB       LYS  20   6.698  -6.804  -4.436
  171   2HB   LYS  20          1HB       LYS  20   5.683  -6.690  -2.987
  172   1HG   LYS  20          2HG       LYS  20   3.725  -7.610  -4.292
  173   2HG   LYS  20          1HG       LYS  20   4.744  -7.729  -5.735
  174   1HD   LYS  20          1HD       LYS  20   6.322  -9.266  -4.475
  175   2HD   LYS  20          2HD       LYS  20   5.256  -9.184  -3.064
  176   1HE   LYS  20          1HE       LYS  20   4.443 -10.217  -5.859
  177   2HE   LYS  20          2HE       LYS  20   4.814 -11.236  -4.455
  178   1HZ   LYS  20          1HZ       LYS  20   2.426 -10.859  -4.675
  179   2HZ   LYS  20          2HZ       LYS  20   2.614  -9.222  -4.572
  180   3HZ   LYS  20          3HZ       LYS  20   2.961 -10.177  -3.268
  181    H    LYS  21           H        LYS  21   3.154  -4.964  -6.046
  182    HA   LYS  21           HA       LYS  21   4.936  -4.855  -8.522
  183   1HB   LYS  21          1HB       LYS  21   2.247  -6.339  -8.295
  184   2HB   LYS  21          2HB       LYS  21   3.204  -6.189  -9.768
  185   1HG   LYS  21          2HG       LYS  21   4.060  -7.608  -7.173
  186   2HG   LYS  21          1HG       LYS  21   3.548  -8.399  -8.658
  187   1HD   LYS  21          2HD       LYS  21   6.081  -6.653  -8.374
  188   2HD   LYS  21          1HD       LYS  21   6.019  -8.410  -8.335
  189   1HE   LYS  21          2HE       LYS  21   6.647  -7.962 -10.560
  190   2HE   LYS  21          1HE       LYS  21   4.917  -8.311 -10.701
  191   1HZ   LYS  21          1HZ       LYS  21   4.519  -5.886 -10.692
  192   2HZ   LYS  21          2HZ       LYS  21   6.138  -5.587 -10.559
  193   3HZ   LYS  21          3HZ       LYS  21   5.540  -6.306 -11.921
  194    H    VAL  22           H        VAL  22   4.801  -2.780  -8.882
  195    HA   VAL  22           HA       VAL  22   1.977  -1.718  -9.375
  196    HB   VAL  22           HB       VAL  22   2.757   0.530  -8.629
  197   1HG1  VAL  22          1HG2      VAL  22   1.679  -1.009  -6.957
  198   2HG1  VAL  22          2HG2      VAL  22   3.281  -1.668  -6.525
  199   3HG1  VAL  22          3HG2      VAL  22   2.899   0.037  -6.182
  200   1HG2  VAL  22          1HG1      VAL  22   5.208   0.282  -9.128
  201   2HG2  VAL  22          2HG1      VAL  22   5.360  -0.929  -7.825
  202   3HG2  VAL  22          3HG1      VAL  22   4.949   0.758  -7.431
  203    H    TRP  23           H        TRP  23   1.697  -0.477 -11.140
  204    HA   TRP  23           HA       TRP  23   4.123   0.334 -12.700
  205   1HB   TRP  23          1HB       TRP  23   3.438  -0.824 -14.797
  206   2HB   TRP  23          2HB       TRP  23   3.820  -1.973 -13.511
  207    HD1  TRP  23           HD1      TRP  23   0.843  -0.706 -15.637
  208    HE1  TRP  23           HE1      TRP  23  -1.204  -2.360 -15.361
  209    HE3  TRP  23           HE3      TRP  23   2.776  -3.366 -11.926
  210    HZ2  TRP  23           HZ2      TRP  23  -1.654  -4.496 -13.686
  211    HZ3  TRP  23           HZ3      TRP  23   1.517  -5.245 -11.012
  212    HH2  TRP  23           HH2      TRP  23  -0.663  -5.805 -11.889
  213    H    ARG  24           H        ARG  24   3.810   2.051 -13.888
  214    HA   ARG  24           HA       ARG  24   1.180   3.390 -13.344
  215   1HB   ARG  24          2HB       ARG  24   3.482   4.367 -12.858
  216   2HB   ARG  24          1HB       ARG  24   3.759   4.542 -14.588
  217   1HG   ARG  24          1HG       ARG  24   1.343   5.799 -13.135
  218   2HG   ARG  24          2HG       ARG  24   2.908   6.602 -13.256
  219   1HD   ARG  24          1HD       ARG  24   2.777   6.458 -15.793
  220   2HD   ARG  24          2HD       ARG  24   1.132   5.806 -15.643
  221    HE   ARG  24           HE       ARG  24   1.261   8.275 -14.091
  222   1HH1  ARG  24          1HH2      ARG  24   1.483   6.954 -17.295
  223   2HH1  ARG  24          2HH2      ARG  24   0.833   8.487 -18.066
  224   1HH2  ARG  24          2HH1      ARG  24   0.493  10.086 -15.012
  225   2HH2  ARG  24          1HH1      ARG  24   0.299  10.177 -16.834
  226    H    VAL  25           H        VAL  25  -0.372   3.362 -14.730
  227    HA   VAL  25           HA       VAL  25   0.128   4.233 -17.486
  228    HB   VAL  25           HB       VAL  25   0.800   1.861 -17.751
  229   1HG1  VAL  25          1HG2      VAL  25  -0.650   0.863 -15.938
  230   2HG1  VAL  25          2HG2      VAL  25  -0.866   0.029 -17.499
  231   3HG1  VAL  25          3HG2      VAL  25  -2.098   1.183 -16.930
  232   1HG2  VAL  25          1HG1      VAL  25  -0.694   1.329 -19.680
  233   2HG2  VAL  25          2HG1      VAL  25  -0.294   3.067 -19.658
  234   3HG2  VAL  25          3HG1      VAL  25  -1.896   2.511 -19.101
  235    H    GLY  26           H        GLY  26  -1.562   5.328 -18.122
  236   1HA   GLY  26          2HA       GLY  26  -3.994   5.722 -18.390
  237   2HA   GLY  26          1HA       GLY  26  -4.309   4.474 -17.170
  238    H    LYS  27           H        LYS  27  -5.774   6.258 -16.484
  239    HA   LYS  27           HA       LYS  27  -4.406   8.561 -15.155
  240   1HB   LYS  27          1HB       LYS  27  -6.713   9.273 -14.526
  241   2HB   LYS  27          2HB       LYS  27  -6.554   8.951 -16.259
  242   1HG   LYS  27          2HG       LYS  27  -7.467   6.613 -15.889
  243   2HG   LYS  27          1HG       LYS  27  -7.735   6.997 -14.183
  244   1HD   LYS  27          2HD       LYS  27  -8.941   8.582 -16.535
  245   2HD   LYS  27          1HD       LYS  27  -9.781   7.284 -15.675
  246   1HE   LYS  27          2HE       LYS  27  -9.547   8.566 -13.506
  247   2HE   LYS  27          1HE       LYS  27  -8.760   9.895 -14.382
  248   1HZ   LYS  27          1HZ       LYS  27 -10.769  10.106 -15.751
  249   2HZ   LYS  27          2HZ       LYS  27 -11.504   8.867 -14.943
  250   3HZ   LYS  27          3HZ       LYS  27 -11.145  10.272 -14.151
  251    H    MET  28           H        MET  28  -5.280   5.391 -14.305
  252    HA   MET  28           HA       MET  28  -5.014   6.209 -11.367
  253   1HB   MET  28          2HB       MET  28  -6.578   3.820 -12.527
  254   2HB   MET  28          1HB       MET  28  -6.423   4.212 -10.808
  255   1HG   MET  28          1HG       MET  28  -7.549   6.452 -11.230
  256   2HG   MET  28          2HG       MET  28  -7.745   6.017 -12.942
  257   1HE   MET  28          1HE       MET  28 -10.127   6.841 -10.960
  258   2HE   MET  28          2HE       MET  28 -10.322   6.461 -12.699
  259   3HE   MET  28          3HE       MET  28 -11.375   5.670 -11.486
  260    H    ILE  29           H        ILE  29  -4.100   4.590  -9.989
  261    HA   ILE  29           HA       ILE  29  -1.876   3.169 -11.506
  262    HB   ILE  29           HB       ILE  29  -2.152   3.754  -8.494
  263   1HG1  ILE  29          2HG1      ILE  29  -2.033   5.885  -9.700
  264   2HG1  ILE  29          1HG1      ILE  29  -0.516   5.575  -8.860
  265   1HG2  ILE  29          1HG2      ILE  29   0.329   3.287  -8.483
  266   2HG2  ILE  29          2HG2      ILE  29   0.237   2.809 -10.201
  267   3HG2  ILE  29          3HG2      ILE  29  -0.629   1.864  -8.964
  268   1HD1  ILE  29          1HD1      ILE  29  -0.085   6.452 -11.153
  269   2HD1  ILE  29          2HD1      ILE  29   0.539   4.790 -11.031
  270   3HD1  ILE  29          3HD1      ILE  29  -0.999   5.112 -11.881
  271    H    SER  30           H        SER  30  -1.764   1.063 -11.588
  272    HA   SER  30           HA       SER  30  -3.847  -0.472  -9.973
  273   1HB   SER  30          2HB       SER  30  -2.173  -1.365 -12.404
  274   2HB   SER  30          1HB       SER  30  -3.432  -2.332 -11.608
  275    HG   SER  30           HG       SER  30  -3.773   0.227 -12.803
  276    H    PHE  31           H        PHE  31  -3.146  -2.608  -9.182
  277    HA   PHE  31           HA       PHE  31  -0.248  -3.033  -8.793
  278   1HB   PHE  31          2HB       PHE  31  -0.133  -2.632  -6.353
  279   2HB   PHE  31          1HB       PHE  31  -0.540  -1.146  -7.210
  280    HD1  PHE  31           HD1      PHE  31  -1.715  -3.658  -4.892
  281    HD2  PHE  31           HD2      PHE  31  -2.837  -0.287  -7.118
  282    HE1  PHE  31           HE1      PHE  31  -3.673  -3.391  -3.503
  283    HE2  PHE  31           HE2      PHE  31  -4.796  -0.024  -5.733
  284    HZ   PHE  31           HZ       PHE  31  -5.222  -1.577  -3.922
  285    H    THR  32           H        THR  32   0.182  -4.784  -7.240
  286    HA   THR  32           HA       THR  32  -2.211  -6.696  -7.226
  287    HB   THR  32           HB       THR  32  -0.596  -8.548  -7.696
  288    HG1  THR  32           HG1      THR  32   1.486  -7.938  -8.337
  289   1HG2  THR  32          1HG2      THR  32  -0.445  -6.238  -9.745
  290   2HG2  THR  32          2HG2      THR  32  -1.782  -7.411  -9.610
  291   3HG2  THR  32          3HG2      THR  32  -0.157  -7.963 -10.094
  292    H    TYR  33           H        TYR  33  -2.604  -6.122  -5.096
  293    HA   TYR  33           HA       TYR  33  -0.493  -6.506  -3.034
  294   1HB   TYR  33          1HB       TYR  33  -2.296  -6.330  -1.382
  295   2HB   TYR  33          2HB       TYR  33  -2.493  -5.062  -2.593
  296    HD1  TYR  33           HD1      TYR  33  -3.918  -8.029  -1.143
  297    HD2  TYR  33           HD2      TYR  33  -4.222  -5.363  -4.366
  298    HE1  TYR  33           HE1      TYR  33  -6.161  -8.809  -1.576
  299    HE2  TYR  33           HE2      TYR  33  -6.464  -6.144  -4.799
  300    HH   TYR  33           HH       TYR  33  -8.072  -7.474  -4.201
  301    H    ASP  34           H        ASP  34  -0.140  -8.280  -1.780
  302    HA   ASP  34           HA       ASP  34  -0.992 -10.795  -3.183
  303   1HB   ASP  34          1HB       ASP  34   1.413 -10.436  -2.555
  304   2HB   ASP  34          2HB       ASP  34   0.967 -10.352  -0.843
  305    H    GLU  35           H        GLU  35  -2.670 -11.855  -2.636
  306    HA   GLU  35           HA       GLU  35  -3.111 -12.611   0.189
  307   1HB   GLU  35          2HB       GLU  35  -4.087 -10.279   0.153
  308   2HB   GLU  35          1HB       GLU  35  -5.154 -10.747  -1.177
  309   1HG   GLU  35          2HG       GLU  35  -6.383 -10.868   0.966
  310   2HG   GLU  35          1HG       GLU  35  -6.231 -12.494   0.285
  311    HE2  GLU  35           HE2      GLU  35  -5.442 -10.369   2.681
  312    H    GLY  36           H        GLY  36  -2.749 -14.527  -1.101
  313   1HA   GLY  36          1HA       GLY  36  -5.276 -15.873  -1.736
  314   2HA   GLY  36          2HA       GLY  36  -4.543 -15.314  -3.252
  315    H    GLY  37           H        GLY  37  -1.863 -15.631  -2.735
  316   1HA   GLY  37          2HA       GLY  37  -0.169 -17.381  -2.623
  317   2HA   GLY  37          1HA       GLY  37  -1.322 -18.364  -1.695
  318    H    GLY  38           H        GLY  38  -1.845 -16.845  -4.839
  319   1HA   GLY  38          2HA       GLY  38  -1.260 -18.823  -6.719
  320   2HA   GLY  38          1HA       GLY  38  -2.664 -19.548  -5.902
  321    H    LYS  39           H        LYS  39  -3.422 -16.578  -5.374
  322    HA   LYS  39           HA       LYS  39  -4.127 -15.647  -8.107
  323   1HB   LYS  39          2HB       LYS  39  -6.698 -15.692  -7.477
  324   2HB   LYS  39          1HB       LYS  39  -5.916 -17.099  -8.185
  325   1HG   LYS  39          2HG       LYS  39  -7.319 -17.869  -6.386
  326   2HG   LYS  39          1HG       LYS  39  -5.643 -18.158  -5.935
  327   1HD   LYS  39          2HD       LYS  39  -5.676 -16.117  -4.469
  328   2HD   LYS  39          1HD       LYS  39  -7.320 -15.740  -5.007
  329   1HE   LYS  39          1HE       LYS  39  -7.396 -16.903  -2.813
  330   2HE   LYS  39          2HE       LYS  39  -8.153 -17.914  -4.059
  331   1HZ   LYS  39          1HZ       LYS  39  -6.048 -19.141  -4.254
  332   2HZ   LYS  39          2HZ       LYS  39  -5.343 -18.198  -3.095
  333   3HZ   LYS  39          3HZ       LYS  39  -6.602 -19.192  -2.700
  334    H    THR  40           H        THR  40  -2.761 -14.119  -7.018
  335    HA   THR  40           HA       THR  40  -3.687 -12.582  -4.727
  336    HB   THR  40           HB       THR  40  -2.205 -10.740  -5.552
  337    HG1  THR  40           HG1      THR  40  -2.605 -10.955  -7.725
  338   1HG2  THR  40          1HG2      THR  40  -0.068 -12.021  -5.540
  339   2HG2  THR  40          2HG2      THR  40  -1.188 -12.688  -4.325
  340   3HG2  THR  40          3HG2      THR  40  -0.944 -13.539  -5.876
  341    H    GLY  41           H        GLY  41  -4.461 -10.393  -4.726
  342   1HA   GLY  41          1HA       GLY  41  -6.725 -10.195  -6.747
  343   2HA   GLY  41          2HA       GLY  41  -6.676  -9.338  -5.196
  344    H    ARG  42           H        ARG  42  -7.324  -7.997  -7.430
  345    HA   ARG  42           HA       ARG  42  -4.841  -6.254  -7.791
  346   1HB   ARG  42          1HB       ARG  42  -6.927  -6.921  -9.961
  347   2HB   ARG  42          2HB       ARG  42  -5.541  -5.839 -10.160
  348   1HG   ARG  42          2HG       ARG  42  -3.974  -7.763  -9.669
  349   2HG   ARG  42          1HG       ARG  42  -5.362  -8.835  -9.437
  350   1HD   ARG  42          1HD       ARG  42  -4.471  -9.114 -11.731
  351   2HD   ARG  42          2HD       ARG  42  -6.102  -8.418 -11.807
  352    HE   ARG  42           HE       ARG  42  -4.184  -6.211 -11.776
  353   1HH1  ARG  42          2HH1      ARG  42  -5.295  -8.948 -13.598
  354   2HH1  ARG  42          1HH1      ARG  42  -4.890  -8.157 -15.203
  355   1HH2  ARG  42          1HH2      ARG  42  -3.706  -5.279 -13.676
  356   2HH2  ARG  42          2HH2      ARG  42  -4.031  -6.173 -15.246
  357    H    GLY  43           H        GLY  43  -5.172  -4.126  -7.703
  358   1HA   GLY  43          2HA       GLY  43  -8.062  -3.168  -7.572
  359   2HA   GLY  43          1HA       GLY  43  -7.018  -2.835  -6.174
  360    H    ALA  44           H        ALA  44  -7.972  -0.678  -7.195
  361    HA   ALA  44           HA       ALA  44  -5.556   0.611  -8.381
  362   1HB   ALA  44          1HB       ALA  44  -6.729   1.466 -10.443
  363   2HB   ALA  44          2HB       ALA  44  -8.181   0.521 -10.016
  364   3HB   ALA  44          3HB       ALA  44  -6.665  -0.316 -10.445
  365    H    VAL  45           H        VAL  45  -5.513   2.763  -8.049
  366    HA   VAL  45           HA       VAL  45  -7.990   4.228  -7.332
  367    HB   VAL  45           HB       VAL  45  -7.595   2.933  -5.245
  368   1HG1  VAL  45          1HG2      VAL  45  -4.902   4.436  -5.118
  369   2HG1  VAL  45          2HG2      VAL  45  -5.576   3.385  -3.848
  370   3HG1  VAL  45          3HG2      VAL  45  -5.098   2.687  -5.416
  371   1HG2  VAL  45          1HG1      VAL  45  -6.978   5.941  -4.943
  372   2HG2  VAL  45          2HG1      VAL  45  -8.604   5.227  -5.118
  373   3HG2  VAL  45          3HG1      VAL  45  -7.625   4.871  -3.670
  374    H    SER  46           H        SER  46  -7.724   6.329  -7.645
  375    HA   SER  46           HA       SER  46  -5.242   7.152  -8.970
  376   1HB   SER  46          1HB       SER  46  -7.470   8.202  -9.463
  377   2HB   SER  46          2HB       SER  46  -7.521   8.891  -7.829
  378    HG   SER  46           HG       SER  46  -5.518   9.358  -9.793
  379    H    GLU  47           H        GLU  47  -3.783   8.758  -8.334
  380    HA   GLU  47           HA       GLU  47  -3.165   8.518  -5.389
  381   1HB   GLU  47          2HB       GLU  47  -1.579   9.835  -7.680
  382   2HB   GLU  47          1HB       GLU  47  -0.998   9.644  -6.020
  383   1HG   GLU  47          1HG       GLU  47  -1.262   7.132  -6.222
  384   2HG   GLU  47          2HG       GLU  47  -1.797   7.331  -7.899
  385    H    LYS  48           H        LYS  48  -5.211  10.372  -6.930
  386    HA   LYS  48           HA       LYS  48  -4.261  13.057  -6.082
  387   1HB   LYS  48          2HB       LYS  48  -5.896  12.786  -7.946
  388   2HB   LYS  48          1HB       LYS  48  -7.073  12.051  -6.847
  389   1HG   LYS  48          1HG       LYS  48  -7.080  14.161  -5.452
  390   2HG   LYS  48          2HG       LYS  48  -5.955  14.916  -6.586
  391   1HD   LYS  48          1HD       LYS  48  -8.762  13.844  -7.296
  392   2HD   LYS  48          2HD       LYS  48  -8.371  15.541  -6.995
  393   1HE   LYS  48          2HE       LYS  48  -7.211  13.816  -9.277
  394   2HE   LYS  48          1HE       LYS  48  -8.444  15.076  -9.438
  395   1HZ   LYS  48          1HZ       LYS  48  -5.666  15.527  -8.450
  396   2HZ   LYS  48          2HZ       LYS  48  -6.235  15.933  -9.948
  397   3HZ   LYS  48          3HZ       LYS  48  -6.820  16.699  -8.607
  398    H    ASP  49           H        ASP  49  -6.024  10.416  -4.678
  399    HA   ASP  49           HA       ASP  49  -6.085  12.045  -2.108
  400   1HB   ASP  49          2HB       ASP  49  -8.398  12.032  -3.111
  401   2HB   ASP  49          1HB       ASP  49  -8.378  10.261  -3.138
  402    H    ALA  50           H        ALA  50  -4.072  10.745  -2.071
  403    HA   ALA  50           HA       ALA  50  -4.771   8.128  -0.696
  404   1HB   ALA  50          1HB       ALA  50  -2.775   7.032  -1.806
  405   2HB   ALA  50          2HB       ALA  50  -3.960   7.589  -3.019
  406   3HB   ALA  50          3HB       ALA  50  -2.471   8.529  -2.729
  407    HA   PRO  51           HA       PRO  51  -2.255   9.720   2.538
  408   1HB   PRO  51          2HB       PRO  51  -0.864   7.004   2.530
  409   2HB   PRO  51          1HB       PRO  51  -1.549   7.875   3.927
  410   1HG   PRO  51          2HG       PRO  51  -2.958   5.818   2.863
  411   2HG   PRO  51          1HG       PRO  51  -3.816   7.331   3.257
  412   1HD   PRO  51          2HD       PRO  51  -2.896   6.377   0.498
  413   2HD   PRO  51          1HD       PRO  51  -4.434   7.177   0.973
  414    H    LYS  52           H        LYS  52  -0.167  10.435   3.053
  415    HA   LYS  52           HA       LYS  52   1.419  10.924   0.618
  416   1HB   LYS  52          2HB       LYS  52   1.110  12.545   2.595
  417   2HB   LYS  52          1HB       LYS  52   2.148  11.488   3.551
  418   1HG   LYS  52          2HG       LYS  52   3.832  12.827   2.831
  419   2HG   LYS  52          1HG       LYS  52   3.794  11.867   1.355
  420   1HD   LYS  52          2HD       LYS  52   2.235  14.489   1.858
  421   2HD   LYS  52          1HD       LYS  52   3.752  14.371   0.963
  422   1HE   LYS  52          2HE       LYS  52   1.098  13.032   0.146
  423   2HE   LYS  52          1HE       LYS  52   1.800  14.486  -0.584
  424   1HZ   LYS  52          1HZ       LYS  52   3.747  13.159  -1.225
  425   2HZ   LYS  52          2HZ       LYS  52   2.369  12.499  -1.852
  426   3HZ   LYS  52          3HZ       LYS  52   3.098  11.800  -0.546
  427    H    GLU  53           H        GLU  53   1.625   8.743   3.317
  428    HA   GLU  53           HA       GLU  53   4.431   8.124   3.103
  429   1HB   GLU  53          2HB       GLU  53   2.142   6.245   3.943
  430   2HB   GLU  53          1HB       GLU  53   3.860   5.967   4.263
  431   1HG   GLU  53          1HG       GLU  53   3.965   8.143   5.555
  432   2HG   GLU  53          2HG       GLU  53   2.235   8.392   5.269
  433    H    LEU  54           H        LEU  54   1.666   6.851   1.298
  434    HA   LEU  54           HA       LEU  54   3.311   4.664   0.142
  435   1HB   LEU  54          1HB       LEU  54   0.619   5.860  -0.772
  436   2HB   LEU  54          2HB       LEU  54   1.461   4.583  -1.648
  437    HG   LEU  54           HG       LEU  54   1.472   3.194   0.522
  438   1HD1  LEU  54          1HD2      LEU  54   0.868   5.013   2.160
  439   2HD1  LEU  54          2HD2      LEU  54  -0.391   3.753   2.134
  440   3HD1  LEU  54          3HD2      LEU  54  -0.663   5.295   1.284
  441   1HD2  LEU  54          1HD1      LEU  54  -1.201   3.957  -0.813
  442   2HD2  LEU  54          2HD1      LEU  54  -0.018   2.783  -1.449
  443   3HD2  LEU  54          3HD1      LEU  54  -0.877   2.446   0.078
  444    H    LEU  55           H        LEU  55   2.489   7.974  -0.728
  445    HA   LEU  55           HA       LEU  55   3.607   7.627  -3.459
  446   1HB   LEU  55          1HB       LEU  55   3.056  10.215  -1.887
  447   2HB   LEU  55          2HB       LEU  55   3.355  10.121  -3.625
  448    HG   LEU  55           HG       LEU  55   1.005   8.764  -2.166
  449   1HD1  LEU  55          1HD2      LEU  55   1.118  11.297  -3.923
  450   2HD1  LEU  55          2HD2      LEU  55   0.859  11.266  -2.158
  451   3HD1  LEU  55          3HD2      LEU  55  -0.364  10.562  -3.251
  452   1HD2  LEU  55          1HD1      LEU  55   0.109   8.443  -4.499
  453   2HD2  LEU  55          2HD1      LEU  55   1.619   9.110  -5.174
  454   3HD2  LEU  55          3HD1      LEU  55   1.643   7.565  -4.279
  455    H    GLN  56           H        GLN  56   4.750   8.772  -0.346
  456    HA   GLN  56           HA       GLN  56   7.273   9.792  -1.550
  457   1HB   GLN  56          2HB       GLN  56   6.256  10.738   0.553
  458   2HB   GLN  56          1HB       GLN  56   6.559   9.210   1.390
  459   1HG   GLN  56          2HG       GLN  56   9.035   9.472   0.988
  460   2HG   GLN  56          1HG       GLN  56   8.735  10.975   0.097
  461   1HE2  GLN  56          1HE2      GLN  56   9.664  12.398   1.404
  462   2HE2  GLN  56          2HE2      GLN  56   9.151  12.704   3.140
  463    H    MET  57           H        MET  57   6.062   6.769  -0.492
  464    HA   MET  57           HA       MET  57   8.762   5.685   0.166
  465   1HB   MET  57          1HB       MET  57   6.685   4.789   1.243
  466   2HB   MET  57          2HB       MET  57   6.077   4.261  -0.330
  467   1HG   MET  57          2HG       MET  57   7.153   2.356   0.903
  468   2HG   MET  57          1HG       MET  57   8.017   2.699  -0.606
  469   1HE   MET  57          1HE       MET  57   9.403   3.781   3.702
  470   2HE   MET  57          2HE       MET  57   7.970   2.802   3.262
  471   3HE   MET  57          3HE       MET  57   7.973   4.569   2.969
  472    H    LEU  58           H        LEU  58   6.602   5.792  -2.596
  473    HA   LEU  58           HA       LEU  58   8.559   3.977  -4.046
  474   1HB   LEU  58          1HB       LEU  58   5.747   4.909  -4.879
  475   2HB   LEU  58          2HB       LEU  58   6.728   3.718  -5.740
  476    HG   LEU  58           HG       LEU  58   5.756   3.415  -2.830
  477   1HD1  LEU  58          1HD2      LEU  58   3.891   3.359  -4.505
  478   2HD1  LEU  58          2HD2      LEU  58   4.765   2.125  -5.452
  479   3HD1  LEU  58          3HD2      LEU  58   4.173   1.739  -3.813
  480   1HD2  LEU  58          1HD1      LEU  58   7.143   1.435  -4.755
  481   2HD2  LEU  58          2HD1      LEU  58   6.472   1.015  -3.157
  482   3HD2  LEU  58          3HD1      LEU  58   7.861   2.125  -3.273
  483    H    GLU  59           H        GLU  59   7.242   7.231  -4.097
  484    HA   GLU  59           HA       GLU  59   8.573   7.663  -6.777
  485   1HB   GLU  59          1HB       GLU  59   7.023   9.658  -5.015
  486   2HB   GLU  59          2HB       GLU  59   7.577   9.946  -6.669
  487   1HG   GLU  59          1HG       GLU  59   6.163   7.990  -7.468
  488   2HG   GLU  59          2HG       GLU  59   5.561   7.768  -5.815
  489    H    LYS  60           H        LYS  60  10.631   7.126  -5.682
  490    HA   LYS  60           HA       LYS  60  11.720   9.485  -4.101
  491   1HB   LYS  60          2HB       LYS  60  13.021   6.806  -4.883
  492   2HB   LYS  60          1HB       LYS  60  13.827   8.079  -3.953
  493   1HG   LYS  60          1HG       LYS  60  11.991   7.962  -2.213
  494   2HG   LYS  60          2HG       LYS  60  11.244   6.625  -3.095
  495   1HD   LYS  60          2HD       LYS  60  14.117   6.615  -1.967
  496   2HD   LYS  60          1HD       LYS  60  12.716   5.882  -1.177
  497   1HE   LYS  60          1HE       LYS  60  12.369   4.378  -3.189
  498   2HE   LYS  60          2HE       LYS  60  13.823   5.067  -3.940
  499   1HZ   LYS  60          1HZ       LYS  60  15.107   4.318  -2.002
  500   2HZ   LYS  60          2HZ       LYS  60  14.337   3.041  -2.714
  501   3HZ   LYS  60          3HZ       LYS  60  13.756   3.674  -1.304
  502    H    GLN  61           H        GLN  61  13.081  10.906  -4.942
  503    HA   GLN  61           HA       GLN  61  13.840  10.440  -7.869
  504   1HB   GLN  61          2HB       GLN  61  13.101  13.115  -6.530
  505   2HB   GLN  61          1HB       GLN  61  13.595  12.912  -8.218
  506   1HG   GLN  61          2HG       GLN  61  11.622  11.389  -8.620
  507   2HG   GLN  61          1HG       GLN  61  11.104  11.619  -6.941
  508   1HE2  GLN  61          1HE2      GLN  61  11.305  12.965 -10.092
  509   2HE2  GLN  61          2HE2      GLN  61  10.372  14.505  -9.734
  510    H    LYS  62           H        LYS  62  15.099  13.249  -7.457
  511    HA   LYS  62           HA       LYS  62  17.744  12.075  -6.794
  512   1HB   LYS  62          1HB       LYS  62  18.731  14.132  -7.412
  513   2HB   LYS  62          2HB       LYS  62  17.383  13.944  -8.524
  514   1HG   LYS  62          2HG       LYS  62  17.429  15.697  -5.978
  515   2HG   LYS  62          1HG       LYS  62  17.643  16.279  -7.621
  516   1HD   LYS  62          2HD       LYS  62  15.080  15.001  -6.493
  517   2HD   LYS  62          1HD       LYS  62  15.347  16.716  -6.801
  518   1HE   LYS  62          1HE       LYS  62  15.325  14.502  -8.950
  519   2HE   LYS  62          2HE       LYS  62  14.043  15.687  -8.654
  520   1HZ   LYS  62          1HZ       LYS  62  16.833  16.361  -9.465
  521   2HZ   LYS  62          2HZ       LYS  62  15.506  16.402 -10.448
  522   3HZ   LYS  62          3HZ       LYS  62  15.633  17.462  -9.187
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1  -0.280   1.978  10.503
    2   2H    ALA   1          2H        ALA   1  -1.559   1.858   9.465
    3   3H    ALA   1          3H        ALA   1  -0.850   0.491  10.064
    4    HA   ALA   1           HA       ALA   1   0.446   2.454   8.234
    5   1HB   ALA   1          1HB       ALA   1   2.314   0.760   8.180
    6   2HB   ALA   1          2HB       ALA   1   1.441  -0.247   9.367
    7   3HB   ALA   1          3HB       ALA   1   2.051   1.362   9.839
    8    H    THR   2           H        THR   2  -1.834   1.954   7.332
    9    HA   THR   2           HA       THR   2  -1.323   0.049   5.114
   10    HB   THR   2           HB       THR   2  -2.050  -1.531   6.888
   11    HG1  THR   2           HG1      THR   2  -4.014  -1.024   4.905
   12   1HG2  THR   2          1HG2      THR   2  -3.481   0.048   8.241
   13   2HG2  THR   2          2HG2      THR   2  -4.388  -1.415   7.783
   14   3HG2  THR   2          3HG2      THR   2  -4.669   0.113   6.912
   15    H    VAL   3           H        VAL   3  -3.146  -0.024   3.606
   16    HA   VAL   3           HA       VAL   3  -4.740   2.582   3.827
   17    HB   VAL   3           HB       VAL   3  -3.448   1.319   1.337
   18   1HG1  VAL   3          1HG2      VAL   3  -5.179   3.862   1.647
   19   2HG1  VAL   3          2HG2      VAL   3  -4.314   3.382   0.162
   20   3HG1  VAL   3          3HG2      VAL   3  -5.654   2.379   0.775
   21   1HG2  VAL   3          1HG1      VAL   3  -2.895   3.954   2.847
   22   2HG2  VAL   3          2HG1      VAL   3  -2.110   3.449   1.326
   23   3HG2  VAL   3          3HG1      VAL   3  -1.830   2.522   2.823
   24    H    LYS   4           H        LYS   4  -6.610   1.748   4.459
   25    HA   LYS   4           HA       LYS   4  -7.731  -0.730   3.434
   26   1HB   LYS   4          2HB       LYS   4  -9.935   0.098   4.306
   27   2HB   LYS   4          1HB       LYS   4  -8.630   0.308   5.480
   28   1HG   LYS   4          2HG       LYS   4  -8.365   2.725   4.715
   29   2HG   LYS   4          1HG       LYS   4  -9.746   2.501   3.627
   30   1HD   LYS   4          2HD       LYS   4 -11.204   1.890   5.584
   31   2HD   LYS   4          1HD       LYS   4  -9.825   2.051   6.678
   32   1HE   LYS   4          1HE       LYS   4 -11.198   4.122   6.741
   33   2HE   LYS   4          2HE       LYS   4  -9.597   4.485   6.073
   34   1HZ   LYS   4          1HZ       LYS   4 -10.563   4.309   3.831
   35   2HZ   LYS   4          2HZ       LYS   4 -12.054   3.972   4.457
   36   3HZ   LYS   4          3HZ       LYS   4 -11.363   5.450   4.719
   37    H    PHE   5           H        PHE   5  -9.801  -0.833   2.183
   38    HA   PHE   5           HA       PHE   5 -10.150   1.337   0.149
   39   1HB   PHE   5          1HB       PHE   5  -8.122   0.162  -0.707
   40   2HB   PHE   5          2HB       PHE   5  -8.955  -1.397  -0.624
   41    HD1  PHE   5           HD1      PHE   5  -9.714   1.995  -1.970
   42    HD2  PHE   5           HD2      PHE   5  -9.728  -2.146  -2.622
   43    HE1  PHE   5           HE1      PHE   5 -10.618   2.347  -4.186
   44    HE2  PHE   5           HE2      PHE   5 -10.632  -1.795  -4.837
   45    HZ   PHE   5           HZ       PHE   5 -11.077   0.453  -5.622
   46    H    LYS   6           H        LYS   6 -12.216   1.152   1.161
   47    HA   LYS   6           HA       LYS   6 -13.748  -1.378   0.743
   48   1HB   LYS   6          2HB       LYS   6 -15.712  -0.042   1.536
   49   2HB   LYS   6          1HB       LYS   6 -14.333   0.114   2.634
   50   1HG   LYS   6          1HG       LYS   6 -13.668   2.265   1.461
   51   2HG   LYS   6          2HG       LYS   6 -15.113   2.152   0.452
   52   1HD   LYS   6          2HD       LYS   6 -15.094   2.309   3.534
   53   2HD   LYS   6          1HD       LYS   6 -15.409   3.668   2.449
   54   1HE   LYS   6          2HE       LYS   6 -17.130   1.114   2.665
   55   2HE   LYS   6          1HE       LYS   6 -17.542   2.713   3.304
   56   1HZ   LYS   6          1HZ       LYS   6 -17.482   3.582   1.022
   57   2HZ   LYS   6          2HZ       LYS   6 -18.564   2.339   1.139
   58   3HZ   LYS   6          3HZ       LYS   6 -17.096   2.091   0.421
   59    H    TYR   7           H        TYR   7 -15.617  -1.519  -0.613
   60    HA   TYR   7           HA       TYR   7 -15.084   0.039  -3.164
   61   1HB   TYR   7          1HB       TYR   7 -14.981  -2.479  -3.234
   62   2HB   TYR   7          2HB       TYR   7 -16.678  -2.564  -2.771
   63    HD1  TYR   7           HD1      TYR   7 -17.803  -3.283  -4.616
   64    HD2  TYR   7           HD2      TYR   7 -14.898  -0.309  -5.188
   65    HE1  TYR   7           HE1      TYR   7 -18.443  -3.098  -6.939
   66    HE2  TYR   7           HE2      TYR   7 -15.542  -0.128  -7.501
   67    HH   TYR   7           HH       TYR   7 -16.845  -0.829  -9.084
   68    H    LYS   8           H        LYS   8 -18.166  -1.537  -2.617
   69    HA   LYS   8           HA       LYS   8 -19.292   1.280  -2.413
   70   1HB   LYS   8          2HB       LYS   8 -21.255   0.704  -3.534
   71   2HB   LYS   8          1HB       LYS   8 -19.990  -0.063  -4.482
   72   1HG   LYS   8          2HG       LYS   8 -21.759  -1.497  -2.394
   73   2HG   LYS   8          1HG       LYS   8 -22.074  -1.456  -4.125
   74   1HD   LYS   8          1HD       LYS   8 -19.878  -2.576  -4.586
   75   2HD   LYS   8          2HD       LYS   8 -19.558  -2.678  -2.845
   76   1HE   LYS   8          2HE       LYS   8 -21.979  -3.934  -4.291
   77   2HE   LYS   8          1HE       LYS   8 -20.535  -4.812  -3.751
   78   1HZ   LYS   8          1HZ       LYS   8 -22.319  -4.960  -2.116
   79   2HZ   LYS   8          2HZ       LYS   8 -22.394  -3.317  -1.961
   80   3HZ   LYS   8          3HZ       LYS   8 -21.048  -4.134  -1.461
   81    H    GLY   9           H        GLY   9 -19.389  -1.974  -1.125
   82   1HA   GLY   9          1HA       GLY   9 -20.413  -0.753   1.450
   83   2HA   GLY   9          2HA       GLY   9 -21.464  -1.979   0.711
   84    H    GLU  10           H        GLU  10 -17.951  -2.003   0.519
   85    HA   GLU  10           HA       GLU  10 -17.986  -4.362   2.461
   86   1HB   GLU  10          1HB       GLU  10 -16.443  -4.189  -0.203
   87   2HB   GLU  10          2HB       GLU  10 -16.272  -5.487   0.987
   88   1HG   GLU  10          1HG       GLU  10 -18.729  -6.036   0.744
   89   2HG   GLU  10          2HG       GLU  10 -18.892  -4.757  -0.471
   90    H    GLU  11           H        GLU  11 -15.494  -4.971   2.726
   91    HA   GLU  11           HA       GLU  11 -13.945  -2.380   3.049
   92   1HB   GLU  11          2HB       GLU  11 -15.212  -2.797   5.187
   93   2HB   GLU  11          1HB       GLU  11 -14.477  -4.402   5.317
   94   1HG   GLU  11          2HG       GLU  11 -12.186  -3.354   5.420
   95   2HG   GLU  11          1HG       GLU  11 -12.909  -1.746   5.244
   96    H    LEU  12           H        LEU  12 -11.898  -2.609   2.583
   97    HA   LEU  12           HA       LEU  12 -10.759  -5.437   2.622
   98   1HB   LEU  12          1HB       LEU  12 -10.376  -3.361   0.375
   99   2HB   LEU  12          2HB       LEU  12  -9.507  -4.893   0.479
  100    HG   LEU  12           HG       LEU  12 -12.569  -4.641   0.263
  101   1HD1  LEU  12          1HD2      LEU  12 -12.203  -5.417  -2.090
  102   2HD1  LEU  12          2HD2      LEU  12 -10.437  -5.384  -1.837
  103   3HD1  LEU  12          3HD2      LEU  12 -11.373  -3.865  -1.799
  104   1HD2  LEU  12          1HD1      LEU  12 -10.679  -7.079   0.079
  105   2HD2  LEU  12          2HD1      LEU  12 -12.430  -7.106  -0.260
  106   3HD2  LEU  12          3HD1      LEU  12 -11.851  -6.766   1.389
  107    H    GLN  13           H        GLN  13  -8.375  -5.390   2.478
  108    HA   GLN  13           HA       GLN  13  -7.154  -2.811   3.435
  109   1HB   GLN  13          2HB       GLN  13  -8.133  -3.876   5.502
  110   2HB   GLN  13          1HB       GLN  13  -7.190  -5.342   5.195
  111   1HG   GLN  13          2HG       GLN  13  -5.053  -4.009   5.372
  112   2HG   GLN  13          1HG       GLN  13  -5.993  -2.531   5.638
  113   1HE2  GLN  13          2HE2      GLN  13  -4.731  -5.402   6.993
  114   2HE2  GLN  13          1HE2      GLN  13  -5.345  -5.139   8.702
  115    H    VAL  14           H        VAL  14  -5.165  -2.644   2.746
  116    HA   VAL  14           HA       VAL  14  -3.653  -5.208   2.148
  117    HB   VAL  14           HB       VAL  14  -4.779  -4.558   0.043
  118   1HG1  VAL  14          1HG2      VAL  14  -5.014  -2.089   0.477
  119   2HG1  VAL  14          2HG2      VAL  14  -4.225  -2.402  -1.088
  120   3HG1  VAL  14          3HG2      VAL  14  -3.248  -1.890   0.308
  121   1HG2  VAL  14          1HG1      VAL  14  -2.493  -5.579  -0.061
  122   2HG2  VAL  14          2HG1      VAL  14  -1.754  -3.955  -0.003
  123   3HG2  VAL  14          3HG1      VAL  14  -2.750  -4.430  -1.403
  124    H    ASP  15           H        ASP  15  -1.623  -5.131   2.691
  125    HA   ASP  15           HA       ASP  15  -0.640  -2.533   3.865
  126   1HB   ASP  15          1HB       ASP  15  -0.358  -4.790   5.032
  127   2HB   ASP  15          2HB       ASP  15   0.748  -5.285   3.743
  128    H    ILE  16           H        ILE  16   1.463  -1.706   3.274
  129    HA   ILE  16           HA       ILE  16   1.629  -1.494   0.352
  130    HB   ILE  16           HB       ILE  16   3.614  -0.585   2.523
  131   1HG1  ILE  16          1HG1      ILE  16   2.717   1.706   1.601
  132   2HG1  ILE  16          2HG1      ILE  16   1.357   0.788   0.956
  133   1HG2  ILE  16          1HG2      ILE  16   3.515   0.030  -0.498
  134   2HG2  ILE  16          2HG2      ILE  16   4.794  -0.888   0.345
  135   3HG2  ILE  16          3HG2      ILE  16   4.574   0.846   0.682
  136   1HD1  ILE  16          1HD1      ILE  16   0.873   1.780   3.238
  137   2HD1  ILE  16          2HD1      ILE  16   0.786   0.005   3.304
  138   3HD1  ILE  16          3HD1      ILE  16   2.225   0.851   3.934
  139    H    SER  17           H        SER  17   3.233  -3.453   2.758
  140    HA   SER  17           HA       SER  17   5.350  -4.279   0.835
  141   1HB   SER  17          2HB       SER  17   6.036  -5.884   2.616
  142   2HB   SER  17          1HB       SER  17   5.767  -4.271   3.305
  143    HG   SER  17           HG       SER  17   3.655  -4.961   3.867
  144    H    LYS  18           H        LYS  18   2.128  -4.985   1.092
  145    HA   LYS  18           HA       LYS  18   2.544  -7.837   0.101
  146   1HB   LYS  18          2HB       LYS  18  -0.023  -6.301   0.836
  147   2HB   LYS  18          1HB       LYS  18  -0.003  -7.968   0.258
  148   1HG   LYS  18          1HG       LYS  18   1.471  -7.025   2.800
  149   2HG   LYS  18          2HG       LYS  18  -0.161  -7.702   2.796
  150   1HD   LYS  18          2HD       LYS  18   0.688  -9.813   1.720
  151   2HD   LYS  18          1HD       LYS  18   2.339  -9.175   1.758
  152   1HE   LYS  18          2HE       LYS  18   0.542  -9.619   4.228
  153   2HE   LYS  18          1HE       LYS  18   1.868 -10.681   3.716
  154   1HZ   LYS  18          1HZ       LYS  18   2.600  -9.104   5.407
  155   2HZ   LYS  18          2HZ       LYS  18   2.171  -7.810   4.472
  156   3HZ   LYS  18          3HZ       LYS  18   3.404  -8.801   3.996
  157    H    ILE  19           H        ILE  19   2.848  -5.004  -1.196
  158    HA   ILE  19           HA       ILE  19   1.228  -5.788  -3.670
  159    HB   ILE  19           HB       ILE  19   2.128  -2.960  -2.889
  160   1HG1  ILE  19          1HG1      ILE  19  -0.592  -4.357  -2.506
  161   2HG1  ILE  19          2HG1      ILE  19   0.509  -3.870  -1.216
  162   1HG2  ILE  19          1HG2      ILE  19   1.714  -3.439  -5.343
  163   2HG2  ILE  19          2HG2      ILE  19   0.520  -2.294  -4.691
  164   3HG2  ILE  19          3HG2      ILE  19   0.070  -4.002  -4.947
  165   1HD1  ILE  19          1HD1      ILE  19   0.269  -1.436  -1.936
  166   2HD1  ILE  19          2HD1      ILE  19  -0.929  -1.943  -3.159
  167   3HD1  ILE  19          3HD1      ILE  19  -1.273  -2.172  -1.430
  168    H    LYS  20           H        LYS  20   2.317  -5.965  -5.537
  169    HA   LYS  20           HA       LYS  20   5.280  -5.208  -5.408
  170   1HB   LYS  20          2HB       LYS  20   4.880  -7.686  -5.216
  171   2HB   LYS  20          1HB       LYS  20   4.000  -7.664  -6.752
  172   1HG   LYS  20          2HG       LYS  20   6.066  -6.845  -7.939
  173   2HG   LYS  20          1HG       LYS  20   6.924  -6.751  -6.396
  174   1HD   LYS  20          2HD       LYS  20   7.578  -8.824  -7.490
  175   2HD   LYS  20          1HD       LYS  20   6.607  -9.243  -6.075
  176   1HE   LYS  20          1HE       LYS  20   4.582  -9.563  -7.547
  177   2HE   LYS  20          2HE       LYS  20   5.528  -9.068  -8.964
  178   1HZ   LYS  20          1HZ       LYS  20   7.022 -10.958  -8.546
  179   2HZ   LYS  20          2HZ       LYS  20   6.138 -11.416  -7.227
  180   3HZ   LYS  20          3HZ       LYS  20   5.466 -11.481  -8.734
  181    H    LYS  21           H        LYS  21   2.504  -5.882  -7.500
  182    HA   LYS  21           HA       LYS  21   3.657  -3.809  -9.428
  183   1HB   LYS  21          2HB       LYS  21   3.736  -6.543  -9.887
  184   2HB   LYS  21          1HB       LYS  21   2.172  -6.148 -10.611
  185   1HG   LYS  21          2HG       LYS  21   3.306  -4.321 -11.970
  186   2HG   LYS  21          1HG       LYS  21   4.855  -4.746 -11.232
  187   1HD   LYS  21          2HD       LYS  21   4.646  -7.093 -12.142
  188   2HD   LYS  21          1HD       LYS  21   3.100  -6.664 -12.892
  189   1HE   LYS  21          2HE       LYS  21   4.250  -4.873 -14.251
  190   2HE   LYS  21          1HE       LYS  21   5.800  -5.288 -13.490
  191   1HZ   LYS  21          1HZ       LYS  21   5.570  -7.547 -14.396
  192   2HZ   LYS  21          2HZ       LYS  21   4.127  -7.163 -15.102
  193   3HZ   LYS  21          3HZ       LYS  21   5.518  -6.431 -15.613
  194    H    VAL  22           H        VAL  22   0.109  -2.725  -9.374
  195    HA   VAL  22           HA       VAL  22   1.402  -0.850  -9.619
  196    HB   VAL  22           HB       VAL  22   3.644  -2.407  -8.257
  197   1HG1  VAL  22          1HG1      VAL  22   3.340   0.601  -8.859
  198   2HG1  VAL  22          2HG1      VAL  22   4.570  -0.485  -9.562
  199   3HG1  VAL  22          3HG1      VAL  22   4.592  -0.127  -7.818
  200   1HG2  VAL  22          1HG2      VAL  22   1.516  -2.057  -6.922
  201   2HG2  VAL  22          2HG2      VAL  22   1.635  -0.307  -7.228
  202   3HG2  VAL  22          3HG2      VAL  22   2.890  -1.129  -6.265
  203    H    TRP  23           H        TRP  23   1.066  -0.906 -11.626
  204    HA   TRP  23           HA       TRP  23   3.552  -0.464 -13.062
  205   1HB   TRP  23          2HB       TRP  23   3.469  -2.048 -14.868
  206   2HB   TRP  23          1HB       TRP  23   3.341  -3.005 -13.395
  207    HD1  TRP  23           HD1      TRP  23   1.489  -2.131 -16.618
  208    HE1  TRP  23           HE1      TRP  23  -0.757  -3.513 -16.822
  209    HE3  TRP  23           HE3      TRP  23   1.434  -3.815 -11.948
  210    HZ2  TRP  23           HZ2      TRP  23  -2.141  -5.088 -15.039
  211    HZ3  TRP  23           HZ3      TRP  23  -0.355  -5.303 -11.231
  212    HH2  TRP  23           HH2      TRP  23  -2.107  -5.936 -12.748
  213    H    ARG  24           H        ARG  24   3.163   1.165 -14.415
  214    HA   ARG  24           HA       ARG  24   0.376   1.418 -15.570
  215   1HB   ARG  24          1HB       ARG  24   1.641   3.356 -13.578
  216   2HB   ARG  24          2HB       ARG  24   0.490   3.955 -14.769
  217   1HG   ARG  24          1HG       ARG  24  -0.160   1.660 -12.821
  218   2HG   ARG  24          2HG       ARG  24  -0.495   3.367 -12.534
  219   1HD   ARG  24          1HD       ARG  24  -2.551   2.565 -13.397
  220   2HD   ARG  24          2HD       ARG  24  -1.813   3.398 -14.772
  221    HE   ARG  24           HE       ARG  24  -1.088   0.548 -14.874
  222   1HH1  ARG  24          2HH2      ARG  24  -3.691   2.837 -15.120
  223   2HH1  ARG  24          1HH2      ARG  24  -4.627   1.776 -16.288
  224   1HH2  ARG  24          1HH1      ARG  24  -2.201  -0.698 -16.253
  225   2HH2  ARG  24          2HH1      ARG  24  -3.822  -0.135 -16.900
  226    H    VAL  25           H        VAL  25   0.218   3.559 -16.721
  227    HA   VAL  25           HA       VAL  25   2.710   4.632 -17.844
  228    HB   VAL  25           HB       VAL  25   2.573   2.358 -18.969
  229   1HG1  VAL  25          1HG2      VAL  25   0.063   2.232 -19.154
  230   2HG1  VAL  25          2HG2      VAL  25   0.854   1.999 -20.734
  231   3HG1  VAL  25          3HG2      VAL  25   0.085   3.558 -20.349
  232   1HG2  VAL  25          1HG1      VAL  25   2.287   4.768 -20.872
  233   2HG2  VAL  25          2HG1      VAL  25   3.787   4.277 -20.041
  234   3HG2  VAL  25          3HG1      VAL  25   3.048   3.205 -21.259
  235    H    GLY  26           H        GLY  26   0.090   5.214 -16.643
  236   1HA   GLY  26          1HA       GLY  26  -0.522   7.611 -18.236
  237   2HA   GLY  26          2HA       GLY  26  -1.725   6.359 -18.603
  238    H    LYS  27           H        LYS  27  -3.441   6.319 -17.429
  239    HA   LYS  27           HA       LYS  27  -3.484   8.224 -15.118
  240   1HB   LYS  27          1HB       LYS  27  -5.195   8.351 -16.936
  241   2HB   LYS  27          2HB       LYS  27  -5.759   6.718 -16.540
  242   1HG   LYS  27          2HG       LYS  27  -6.254   7.488 -14.174
  243   2HG   LYS  27          1HG       LYS  27  -5.778   9.130 -14.614
  244   1HD   LYS  27          1HD       LYS  27  -8.058   7.507 -15.921
  245   2HD   LYS  27          2HD       LYS  27  -8.274   8.765 -14.698
  246   1HE   LYS  27          1HE       LYS  27  -7.092   9.186 -17.518
  247   2HE   LYS  27          2HE       LYS  27  -8.701   9.680 -16.969
  248   1HZ   LYS  27          1HZ       LYS  27  -6.130  10.671 -15.828
  249   2HZ   LYS  27          2HZ       LYS  27  -7.633  11.129 -15.316
  250   3HZ   LYS  27          3HZ       LYS  27  -7.125  11.515 -16.841
  251    H    MET  28           H        MET  28  -4.149   7.828 -13.162
  252    HA   MET  28           HA       MET  28  -4.605   6.591 -11.155
  253   1HB   MET  28          2HB       MET  28  -5.782   4.525 -13.106
  254   2HB   MET  28          1HB       MET  28  -6.103   4.631 -11.372
  255   1HG   MET  28          1HG       MET  28  -7.134   6.911 -11.684
  256   2HG   MET  28          2HG       MET  28  -6.766   6.850 -13.420
  257   1HE   MET  28          1HE       MET  28  -8.835   5.447 -10.448
  258   2HE   MET  28          2HE       MET  28  -9.818   4.141 -11.178
  259   3HE   MET  28          3HE       MET  28  -8.061   3.909 -10.940
  260    H    ILE  29           H        ILE  29  -4.493   4.165 -10.314
  261    HA   ILE  29           HA       ILE  29  -1.859   3.058 -11.380
  262    HB   ILE  29           HB       ILE  29  -2.643   3.402  -8.413
  263   1HG1  ILE  29          2HG1      ILE  29  -0.192   4.449  -8.545
  264   2HG1  ILE  29          1HG1      ILE  29  -0.567   4.692 -10.253
  265   1HG2  ILE  29          1HG2      ILE  29  -0.242   1.976  -9.721
  266   2HG2  ILE  29          2HG2      ILE  29  -1.550   1.193  -8.792
  267   3HG2  ILE  29          3HG2      ILE  29  -0.420   2.299  -7.977
  268   1HD1  ILE  29          1HD1      ILE  29  -2.618   6.051  -9.579
  269   2HD1  ILE  29          2HD1      ILE  29  -1.136   6.708  -8.841
  270   3HD1  ILE  29          3HD1      ILE  29  -2.256   5.723  -7.864
  271    H    SER  30           H        SER  30  -2.078   1.086 -12.023
  272    HA   SER  30           HA       SER  30  -4.401  -0.523 -10.895
  273   1HB   SER  30          2HB       SER  30  -2.473  -1.136 -13.224
  274   2HB   SER  30          1HB       SER  30  -3.831  -2.165 -12.728
  275    HG   SER  30           HG       SER  30  -4.351  -0.722 -14.419
  276    H    PHE  31           H        PHE  31  -4.084  -2.359  -9.746
  277    HA   PHE  31           HA       PHE  31  -1.325  -3.416  -9.424
  278   1HB   PHE  31          2HB       PHE  31  -1.062  -2.939  -7.019
  279   2HB   PHE  31          1HB       PHE  31  -1.221  -1.431  -7.918
  280    HD1  PHE  31           HD1      PHE  31  -3.293  -0.143  -7.763
  281    HD2  PHE  31           HD2      PHE  31  -2.785  -3.648  -5.518
  282    HE1  PHE  31           HE1      PHE  31  -5.130   0.504  -6.336
  283    HE2  PHE  31           HE2      PHE  31  -4.627  -3.005  -4.096
  284    HZ   PHE  31           HZ       PHE  31  -5.808  -0.927  -4.503
  285    H    THR  32           H        THR  32  -1.195  -5.334  -8.401
  286    HA   THR  32           HA       THR  32  -3.914  -6.552  -7.697
  287    HB   THR  32           HB       THR  32  -3.115  -8.691  -8.733
  288    HG1  THR  32           HG1      THR  32  -1.256  -8.539 -10.032
  289   1HG2  THR  32          1HG2      THR  32  -2.970  -6.269 -10.648
  290   2HG2  THR  32          2HG2      THR  32  -4.471  -7.070 -10.110
  291   3HG2  THR  32          3HG2      THR  32  -3.298  -7.956 -11.120
  292    H    TYR  33           H        TYR  33  -3.639  -6.424  -5.548
  293    HA   TYR  33           HA       TYR  33  -1.120  -7.358  -4.271
  294   1HB   TYR  33          1HB       TYR  33  -2.314  -7.120  -2.134
  295   2HB   TYR  33          2HB       TYR  33  -2.622  -5.705  -3.145
  296    HD1  TYR  33           HD1      TYR  33  -4.065  -8.560  -1.518
  297    HD2  TYR  33           HD2      TYR  33  -4.812  -5.546  -4.334
  298    HE1  TYR  33           HE1      TYR  33  -6.444  -8.952  -1.310
  299    HE2  TYR  33           HE2      TYR  33  -7.185  -5.943  -4.128
  300    HH   TYR  33           HH       TYR  33  -8.758  -7.096  -3.178
  301    H    ASP  34           H        ASP  34  -1.281  -9.163  -2.610
  302    HA   ASP  34           HA       ASP  34  -3.013 -11.404  -3.741
  303   1HB   ASP  34          1HB       ASP  34   0.006 -11.600  -3.145
  304   2HB   ASP  34          2HB       ASP  34  -1.031 -12.953  -3.623
  305    H    GLU  35           H        GLU  35  -4.081 -12.357  -2.209
  306    HA   GLU  35           HA       GLU  35  -2.692 -13.147   0.259
  307   1HB   GLU  35          1HB       GLU  35  -4.194 -11.959   1.886
  308   2HB   GLU  35          2HB       GLU  35  -3.105 -10.888   0.997
  309   1HG   GLU  35          2HG       GLU  35  -4.959 -10.296  -0.601
  310   2HG   GLU  35          1HG       GLU  35  -6.067 -11.357   0.282
  311    HE2  GLU  35           HE2      GLU  35  -6.458 -10.954   2.354
  312    H    GLY  36           H        GLY  36  -5.161 -15.664  -0.520
  313   1HA   GLY  36          1HA       GLY  36  -2.756 -14.595  -1.816
  314   2HA   GLY  36          2HA       GLY  36  -2.327 -15.147  -0.179
  315    H    GLY  37           H        GLY  37  -2.330 -16.034  -3.271
  316   1HA   GLY  37          1HA       GLY  37  -1.573 -18.322  -3.910
  317   2HA   GLY  37          2HA       GLY  37  -2.367 -18.963  -2.460
  318    H    GLY  38           H        GLY  38  -3.143 -17.203  -5.462
  319   1HA   GLY  38          1HA       GLY  38  -4.647 -18.337  -7.142
  320   2HA   GLY  38          2HA       GLY  38  -5.449 -19.176  -5.803
  321    H    LYS  39           H        LYS  39  -5.267 -16.489  -4.293
  322    HA   LYS  39           HA       LYS  39  -7.964 -15.617  -5.259
  323   1HB   LYS  39          1HB       LYS  39  -7.394 -15.723  -2.804
  324   2HB   LYS  39          2HB       LYS  39  -6.183 -14.450  -3.032
  325   1HG   LYS  39          2HG       LYS  39  -7.984 -12.894  -3.883
  326   2HG   LYS  39          1HG       LYS  39  -9.189 -14.175  -3.667
  327   1HD   LYS  39          1HD       LYS  39  -8.633 -14.267  -1.197
  328   2HD   LYS  39          2HD       LYS  39  -7.435 -12.985  -1.425
  329   1HE   LYS  39          1HE       LYS  39  -9.547 -11.997  -0.594
  330   2HE   LYS  39          2HE       LYS  39  -9.246 -11.428  -2.248
  331   1HZ   LYS  39          1HZ       LYS  39 -11.535 -12.183  -1.972
  332   2HZ   LYS  39          2HZ       LYS  39 -11.046 -13.692  -1.510
  333   3HZ   LYS  39          3HZ       LYS  39 -10.767 -13.169  -3.052
  334    H    THR  40           H        THR  40  -5.351 -13.502  -4.214
  335    HA   THR  40           HA       THR  40  -4.486 -11.524  -5.243
  336    HB   THR  40           HB       THR  40  -4.984 -13.167  -7.791
  337    HG1  THR  40           HG1      THR  40  -3.752 -14.191  -6.181
  338   1HG2  THR  40          1HG2      THR  40  -3.039 -10.847  -7.171
  339   2HG2  THR  40          2HG2      THR  40  -4.458 -10.750  -8.248
  340   3HG2  THR  40          3HG2      THR  40  -3.076 -11.786  -8.686
  341    H    GLY  41           H        GLY  41  -6.091 -10.144  -4.676
  342   1HA   GLY  41          1HA       GLY  41  -8.441  -9.862  -6.559
  343   2HA   GLY  41          2HA       GLY  41  -8.233  -8.965  -5.043
  344    H    ARG  42           H        ARG  42  -8.702  -8.261  -7.974
  345    HA   ARG  42           HA       ARG  42  -6.264  -6.533  -8.476
  346   1HB   ARG  42          1HB       ARG  42  -8.837  -7.040 -10.090
  347   2HB   ARG  42          2HB       ARG  42  -7.728  -5.730 -10.478
  348   1HG   ARG  42          1HG       ARG  42  -7.083  -7.536 -11.893
  349   2HG   ARG  42          2HG       ARG  42  -5.821  -7.389 -10.671
  350   1HD   ARG  42          2HD       ARG  42  -6.400  -9.772 -11.085
  351   2HD   ARG  42          1HD       ARG  42  -6.795  -9.339  -9.414
  352    HE   ARG  42           HE       ARG  42  -9.196  -8.895 -10.998
  353   1HH1  ARG  42          1HH1      ARG  42  -6.951 -11.339  -9.983
  354   2HH1  ARG  42          2HH1      ARG  42  -8.234 -12.651  -9.999
  355   1HH2  ARG  42          2HH2      ARG  42 -10.711 -10.449 -11.016
  356   2HH2  ARG  42          1HH2      ARG  42 -10.268 -12.169 -10.557
  357    H    GLY  43           H        GLY  43  -6.351  -4.308  -8.549
  358   1HA   GLY  43          2HA       GLY  43  -8.894  -2.933  -7.748
  359   2HA   GLY  43          1HA       GLY  43  -7.675  -2.952  -6.457
  360    H    ALA  44           H        ALA  44  -8.412  -0.562  -7.290
  361    HA   ALA  44           HA       ALA  44  -5.865   0.466  -8.434
  362   1HB   ALA  44          1HB       ALA  44  -7.073  -0.184 -10.546
  363   2HB   ALA  44          2HB       ALA  44  -8.469   0.818 -10.065
  364   3HB   ALA  44          3HB       ALA  44  -6.904   1.588 -10.437
  365    H    VAL  45           H        VAL  45  -5.890   2.842  -8.584
  366    HA   VAL  45           HA       VAL  45  -8.131   4.258  -7.265
  367    HB   VAL  45           HB       VAL  45  -7.123   3.114  -5.304
  368   1HG1  VAL  45          1HG2      VAL  45  -4.762   2.919  -6.149
  369   2HG1  VAL  45          2HG2      VAL  45  -4.816   3.702  -4.549
  370   3HG1  VAL  45          3HG2      VAL  45  -4.562   4.688  -6.011
  371   1HG2  VAL  45          1HG1      VAL  45  -6.570   6.150  -5.346
  372   2HG2  VAL  45          2HG1      VAL  45  -6.799   5.147  -3.889
  373   3HG2  VAL  45          3HG1      VAL  45  -8.151   5.387  -5.027
  374    H    SER  46           H        SER  46  -8.079   6.331  -7.780
  375    HA   SER  46           HA       SER  46  -6.009   7.134  -9.719
  376   1HB   SER  46          1HB       SER  46  -8.133   8.876  -8.318
  377   2HB   SER  46          2HB       SER  46  -7.218   9.327  -9.772
  378    HG   SER  46           HG       SER  46  -8.932   7.077  -9.486
  379    H    GLU  47           H        GLU  47  -4.658   8.974  -9.558
  380    HA   GLU  47           HA       GLU  47  -3.433   9.082  -6.805
  381   1HB   GLU  47          2HB       GLU  47  -1.490  10.126  -7.935
  382   2HB   GLU  47          1HB       GLU  47  -1.965   8.637  -8.760
  383   1HG   GLU  47          1HG       GLU  47  -3.246   9.993 -10.471
  384   2HG   GLU  47          2HG       GLU  47  -2.762  11.485  -9.648
  385    H    LYS  48           H        LYS  48  -5.937  10.548  -7.584
  386    HA   LYS  48           HA       LYS  48  -4.933  13.404  -7.343
  387   1HB   LYS  48          1HB       LYS  48  -7.790  12.295  -7.665
  388   2HB   LYS  48          2HB       LYS  48  -7.375  14.014  -7.599
  389   1HG   LYS  48          2HG       LYS  48  -5.897  13.743  -9.627
  390   2HG   LYS  48          1HG       LYS  48  -6.313  12.022  -9.704
  391   1HD   LYS  48          2HD       LYS  48  -8.758  12.631  -9.931
  392   2HD   LYS  48          1HD       LYS  48  -8.331  14.348  -9.888
  393   1HE   LYS  48          1HE       LYS  48  -7.338  12.315 -11.990
  394   2HE   LYS  48          2HE       LYS  48  -8.622  13.512 -12.244
  395   1HZ   LYS  48          1HZ       LYS  48  -6.990  15.273 -11.795
  396   2HZ   LYS  48          2HZ       LYS  48  -6.482  14.323 -13.047
  397   3HZ   LYS  48          3HZ       LYS  48  -5.792  14.161 -11.555
  398    H    ASP  49           H        ASP  49  -5.653  10.852  -5.379
  399    HA   ASP  49           HA       ASP  49  -5.640  12.652  -3.031
  400   1HB   ASP  49          2HB       ASP  49  -8.073  12.761  -3.741
  401   2HB   ASP  49          1HB       ASP  49  -8.195  11.005  -3.556
  402    H    ALA  50           H        ALA  50  -3.846  10.885  -3.683
  403    HA   ALA  50           HA       ALA  50  -4.572   8.357  -2.163
  404   1HB   ALA  50          1HB       ALA  50  -2.185   8.935  -4.043
  405   2HB   ALA  50          2HB       ALA  50  -2.534   7.361  -3.279
  406   3HB   ALA  50          3HB       ALA  50  -3.662   8.036  -4.485
  407    HA   PRO  51           HA       PRO  51  -2.083   9.571   1.318
  408   1HB   PRO  51          2HB       PRO  51  -0.830   6.804   0.993
  409   2HB   PRO  51          1HB       PRO  51  -1.466   7.545   2.486
  410   1HG   PRO  51          2HG       PRO  51  -2.978   5.692   1.215
  411   2HG   PRO  51          1HG       PRO  51  -3.761   7.194   1.773
  412   1HD   PRO  51          1HD       PRO  51  -2.875   6.505  -1.076
  413   2HD   PRO  51          2HD       PRO  51  -4.382   7.310  -0.514
  414    H    LYS  52           H        LYS  52  -0.006  10.270   1.797
  415    HA   LYS  52           HA       LYS  52   1.635  10.659  -0.660
  416   1HB   LYS  52          1HB       LYS  52   1.990  11.608   2.247
  417   2HB   LYS  52          2HB       LYS  52   3.208  11.885   1.002
  418   1HG   LYS  52          1HG       LYS  52   1.909  13.875   1.046
  419   2HG   LYS  52          2HG       LYS  52   1.451  13.039  -0.439
  420   1HD   LYS  52          2HD       LYS  52  -0.640  12.193   0.675
  421   2HD   LYS  52          1HD       LYS  52  -0.127  12.910   2.212
  422   1HE   LYS  52          2HE       LYS  52  -1.749  14.410   1.084
  423   2HE   LYS  52          1HE       LYS  52  -0.163  15.202   1.163
  424   1HZ   LYS  52          1HZ       LYS  52  -1.134  15.375  -1.055
  425   2HZ   LYS  52          2HZ       LYS  52   0.247  14.470  -1.134
  426   3HZ   LYS  52          3HZ       LYS  52  -1.230  13.733  -1.205
  427    H    GLU  53           H        GLU  53   1.560   8.430   1.900
  428    HA   GLU  53           HA       GLU  53   4.398   7.839   2.080
  429   1HB   GLU  53          2HB       GLU  53   2.018   5.911   2.400
  430   2HB   GLU  53          1HB       GLU  53   3.673   5.588   2.939
  431   1HG   GLU  53          1HG       GLU  53   3.578   7.631   4.434
  432   2HG   GLU  53          2HG       GLU  53   1.906   7.920   3.923
  433    H    LEU  54           H        LEU  54   1.912   6.828  -0.202
  434    HA   LEU  54           HA       LEU  54   3.674   4.743  -1.378
  435   1HB   LEU  54          1HB       LEU  54   1.134   6.098  -2.489
  436   2HB   LEU  54          2HB       LEU  54   2.059   4.884  -3.369
  437    HG   LEU  54           HG       LEU  54   1.762   3.292  -1.376
  438   1HD1  LEU  54          1HD1      LEU  54   1.015   4.930   0.374
  439   2HD1  LEU  54          2HD1      LEU  54  -0.282   3.755   0.047
  440   3HD1  LEU  54          3HD1      LEU  54  -0.380   5.397  -0.640
  441   1HD2  LEU  54          1HD2      LEU  54   0.508   3.139  -3.539
  442   2HD2  LEU  54          2HD2      LEU  54  -0.540   2.686  -2.169
  443   3HD2  LEU  54          3HD2      LEU  54  -0.710   4.291  -2.929
  444    H    LEU  55           H        LEU  55   2.985   8.148  -1.954
  445    HA   LEU  55           HA       LEU  55   4.454   8.097  -4.535
  446   1HB   LEU  55          2HB       LEU  55   3.692  10.492  -2.753
  447   2HB   LEU  55          1HB       LEU  55   4.266  10.608  -4.419
  448    HG   LEU  55           HG       LEU  55   1.705   9.138  -3.545
  449   1HD1  LEU  55          1HD2      LEU  55   1.576  11.627  -3.243
  450   2HD1  LEU  55          2HD2      LEU  55   0.543  11.095  -4.598
  451   3HD1  LEU  55          3HD2      LEU  55   2.118  11.867  -4.926
  452   1HD2  LEU  55          1HD1      LEU  55   1.209   9.150  -6.023
  453   2HD2  LEU  55          2HD1      LEU  55   2.668   8.196  -5.662
  454   3HD2  LEU  55          3HD1      LEU  55   2.822   9.840  -6.340
  455    H    GLN  56           H        GLN  56   5.214   8.739  -1.182
  456    HA   GLN  56           HA       GLN  56   7.866   9.885  -1.940
  457   1HB   GLN  56          2HB       GLN  56   6.614  10.611   0.116
  458   2HB   GLN  56          1HB       GLN  56   6.748   8.981   0.786
  459   1HG   GLN  56          1HG       GLN  56   8.490  10.443   1.759
  460   2HG   GLN  56          2HG       GLN  56   9.255   9.170   0.799
  461   1HE2  GLN  56          2HE2      GLN  56   8.395  12.545   0.963
  462   2HE2  GLN  56          1HE2      GLN  56   9.532  13.102  -0.366
  463    H    MET  57           H        MET  57   6.517   6.785  -1.432
  464    HA   MET  57           HA       MET  57   9.227   5.658  -0.711
  465   1HB   MET  57          2HB       MET  57   7.173   4.918   0.530
  466   2HB   MET  57          1HB       MET  57   6.482   4.288  -0.970
  467   1HG   MET  57          1HG       MET  57   7.563   2.454   0.343
  468   2HG   MET  57          2HG       MET  57   8.412   2.676  -1.200
  469   1HE   MET  57          1HE       MET  57  11.303   1.768   1.299
  470   2HE   MET  57          2HE       MET  57  10.470   1.359  -0.232
  471   3HE   MET  57          3HE       MET  57   9.620   1.155   1.330
  472    H    LEU  58           H        LEU  58   7.016   5.885  -3.398
  473    HA   LEU  58           HA       LEU  58   8.898   3.995  -4.891
  474   1HB   LEU  58          2HB       LEU  58   5.873   4.388  -5.303
  475   2HB   LEU  58          1HB       LEU  58   6.891   3.287  -6.235
  476    HG   LEU  58           HG       LEU  58   6.458   3.114  -3.190
  477   1HD1  LEU  58          1HD2      LEU  58   5.286   1.447  -5.506
  478   2HD1  LEU  58          2HD2      LEU  58   4.383   2.617  -4.506
  479   3HD1  LEU  58          3HD2      LEU  58   5.039   1.132  -3.767
  480   1HD2  LEU  58          1HD1      LEU  58   7.823   1.192  -5.187
  481   2HD2  LEU  58          2HD1      LEU  58   7.507   0.835  -3.469
  482   3HD2  LEU  58          3HD1      LEU  58   8.652   2.126  -3.912
  483    H    GLU  59           H        GLU  59   8.741   7.017  -4.674
  484    HA   GLU  59           HA       GLU  59   8.929   7.321  -7.698
  485   1HB   GLU  59          1HB       GLU  59   7.781   9.475  -5.818
  486   2HB   GLU  59          2HB       GLU  59   8.048   9.656  -7.553
  487   1HG   GLU  59          2HG       GLU  59   6.120   7.633  -6.248
  488   2HG   GLU  59          1HG       GLU  59   5.653   9.140  -7.049
  489    H    LYS  60           H        LYS  60   9.864   8.211  -4.466
  490    HA   LYS  60           HA       LYS  60  11.945   9.156  -3.695
  491   1HB   LYS  60          1HB       LYS  60  12.834   8.554  -6.582
  492   2HB   LYS  60          2HB       LYS  60  13.914   8.919  -5.233
  493   1HG   LYS  60          2HG       LYS  60  12.020   6.486  -5.392
  494   2HG   LYS  60          1HG       LYS  60  13.756   6.460  -5.710
  495   1HD   LYS  60          2HD       LYS  60  14.196   7.273  -3.348
  496   2HD   LYS  60          1HD       LYS  60  12.455   7.215  -3.018
  497   1HE   LYS  60          2HE       LYS  60  12.424   4.755  -3.591
  498   2HE   LYS  60          1HE       LYS  60  14.169   4.809  -3.908
  499   1HZ   LYS  60          1HZ       LYS  60  14.505   5.536  -1.598
  500   2HZ   LYS  60          2HZ       LYS  60  13.703   4.093  -1.636
  501   3HZ   LYS  60          3HZ       LYS  60  12.880   5.487  -1.303
  502    H    GLN  61           H        GLN  61  11.265  11.182  -3.361
  503    HA   GLN  61           HA       GLN  61  11.492  13.076  -5.744
  504   1HB   GLN  61          1HB       GLN  61  10.163  13.493  -2.996
  505   2HB   GLN  61          2HB       GLN  61  10.255  14.720  -4.271
  506   1HG   GLN  61          1HG       GLN  61   9.005  13.200  -5.842
  507   2HG   GLN  61          2HG       GLN  61   8.903  11.964  -4.577
  508   1HE2  GLN  61          2HE2      GLN  61   6.620  12.214  -4.920
  509   2HE2  GLN  61          1HE2      GLN  61   5.729  13.548  -4.027
  510    H    LYS  62           H        LYS  62  11.602  14.719  -2.843
  511    HA   LYS  62           HA       LYS  62  14.505  15.298  -3.335
  512   1HB   LYS  62          1HB       LYS  62  12.600  16.342  -1.153
  513   2HB   LYS  62          2HB       LYS  62  14.238  16.945  -1.448
  514   1HG   LYS  62          2HG       LYS  62  13.575  17.514  -3.833
  515   2HG   LYS  62          1HG       LYS  62  11.916  17.020  -3.480
  516   1HD   LYS  62          2HD       LYS  62  13.472  19.242  -2.008
  517   2HD   LYS  62          1HD       LYS  62  12.279  19.513  -3.282
  518   1HE   LYS  62          1HE       LYS  62  11.709  18.202  -0.546
  519   2HE   LYS  62          2HE       LYS  62  11.258  19.842  -1.037
  520   1HZ   LYS  62          1HZ       LYS  62   9.418  18.295  -1.342
  521   2HZ   LYS  62          2HZ       LYS  62   9.890  18.874  -2.815
  522   3HZ   LYS  62          3HZ       LYS  62  10.306  17.342  -2.358
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1   0.376   1.748   9.791
    2   2H    ALA   1          2H        ALA   1  -0.068   3.077  10.665
    3   3H    ALA   1          3H        ALA   1  -1.144   1.847  10.428
    4    HA   ALA   1           HA       ALA   1  -1.712   3.720   8.994
    5   1HB   ALA   1          1HB       ALA   1  -0.053   4.346   7.201
    6   2HB   ALA   1          2HB       ALA   1   0.634   4.621   8.824
    7   3HB   ALA   1          3HB       ALA   1   1.124   3.189   7.878
    8    H    THR   2           H        THR   2  -3.248   2.407   8.301
    9    HA   THR   2           HA       THR   2  -2.409   0.481   6.085
   10    HB   THR   2           HB       THR   2  -4.265  -1.052   6.827
   11    HG1  THR   2           HG1      THR   2  -5.423   0.531   7.954
   12   1HG2  THR   2          1HG2      THR   2  -3.079  -1.979   8.833
   13   2HG2  THR   2          2HG2      THR   2  -1.903  -1.489   7.586
   14   3HG2  THR   2          3HG2      THR   2  -2.167  -0.458   9.019
   15    H    VAL   3           H        VAL   3  -3.542   0.656   4.294
   16    HA   VAL   3           HA       VAL   3  -5.588   2.864   4.214
   17    HB   VAL   3           HB       VAL   3  -4.485   1.008   2.023
   18   1HG1  VAL   3          1HG1      VAL   3  -6.800   1.787   1.440
   19   2HG1  VAL   3          2HG1      VAL   3  -6.346   3.468   1.827
   20   3HG1  VAL   3          3HG1      VAL   3  -5.595   2.637   0.440
   21   1HG2  VAL   3          1HG2      VAL   3  -2.817   2.642   2.939
   22   2HG2  VAL   3          2HG2      VAL   3  -3.305   3.109   1.289
   23   3HG2  VAL   3          3HG2      VAL   3  -3.976   3.978   2.694
   24    H    LYS   4           H        LYS   4  -7.617   2.531   4.569
   25    HA   LYS   4           HA       LYS   4  -8.615  -0.347   4.361
   26   1HB   LYS   4          2HB       LYS   4  -9.744   2.058   5.920
   27   2HB   LYS   4          1HB       LYS   4 -10.463   0.440   5.889
   28   1HG   LYS   4          1HG       LYS   4  -8.368  -0.541   6.860
   29   2HG   LYS   4          2HG       LYS   4  -7.579   1.033   6.776
   30   1HD   LYS   4          2HD       LYS   4  -8.239   0.765   9.046
   31   2HD   LYS   4          1HD       LYS   4  -9.346   1.964   8.384
   32   1HE   LYS   4          1HE       LYS   4 -10.036  -1.043   8.565
   33   2HE   LYS   4          2HE       LYS   4 -10.350   0.093   9.885
   34   1HZ   LYS   4          1HZ       LYS   4 -11.458   0.359   7.135
   35   2HZ   LYS   4          2HZ       LYS   4 -11.734   1.409   8.382
   36   3HZ   LYS   4          3HZ       LYS   4 -12.289  -0.145   8.471
   37    H    PHE   5           H        PHE   5  -8.827  -0.108   2.095
   38    HA   PHE   5           HA       PHE   5 -10.863   1.892   1.145
   39   1HB   PHE   5          2HB       PHE   5 -10.452   0.993  -1.105
   40   2HB   PHE   5          1HB       PHE   5  -8.915   1.344  -0.310
   41    HD1  PHE   5           HD1      PHE   5  -7.588  -0.543   0.610
   42    HD2  PHE   5           HD2      PHE   5 -11.019  -1.207  -1.704
   43    HE1  PHE   5           HE1      PHE   5  -6.868  -2.816   0.196
   44    HE2  PHE   5           HE2      PHE   5 -10.298  -3.478  -2.122
   45    HZ   PHE   5           HZ       PHE   5  -8.226  -4.285  -1.167
   46    H    LYS   6           H        LYS   6 -12.929   1.501   0.810
   47    HA   LYS   6           HA       LYS   6 -13.816  -1.405   1.112
   48   1HB   LYS   6          1HB       LYS   6 -15.850  -0.494   2.382
   49   2HB   LYS   6          2HB       LYS   6 -14.300  -0.389   3.206
   50   1HG   LYS   6          1HG       LYS   6 -15.235   1.724   3.626
   51   2HG   LYS   6          2HG       LYS   6 -14.058   2.011   2.352
   52   1HD   LYS   6          2HD       LYS   6 -15.950   3.293   1.756
   53   2HD   LYS   6          1HD       LYS   6 -16.032   1.922   0.655
   54   1HE   LYS   6          1HE       LYS   6 -17.578   2.082   3.328
   55   2HE   LYS   6          2HE       LYS   6 -18.237   2.647   1.786
   56   1HZ   LYS   6          1HZ       LYS   6 -17.999   0.404   0.894
   57   2HZ   LYS   6          2HZ       LYS   6 -18.925   0.380   2.261
   58   3HZ   LYS   6          3HZ       LYS   6 -17.360  -0.148   2.315
   59    H    TYR   7           H        TYR   7 -16.220  -1.563   0.487
   60    HA   TYR   7           HA       TYR   7 -16.660   0.173  -1.974
   61   1HB   TYR   7          2HB       TYR   7 -15.508  -1.930  -2.691
   62   2HB   TYR   7          1HB       TYR   7 -16.760  -2.907  -1.919
   63    HD1  TYR   7           HD1      TYR   7 -16.528  -0.034  -4.283
   64    HD2  TYR   7           HD2      TYR   7 -18.483  -3.603  -3.268
   65    HE1  TYR   7           HE1      TYR   7 -17.892   0.146  -6.270
   66    HE2  TYR   7           HE2      TYR   7 -19.845  -3.420  -5.256
   67    HH   TYR   7           HH       TYR   7 -20.320  -2.269  -7.029
   68    H    LYS   8           H        LYS   8 -18.283  -2.778  -0.868
   69    HA   LYS   8           HA       LYS   8 -20.755  -1.011  -0.520
   70   1HB   LYS   8          1HB       LYS   8 -20.958  -2.719  -2.336
   71   2HB   LYS   8          2HB       LYS   8 -20.574  -4.012  -1.186
   72   1HG   LYS   8          2HG       LYS   8 -22.560  -3.309   0.221
   73   2HG   LYS   8          1HG       LYS   8 -22.993  -2.106  -0.992
   74   1HD   LYS   8          2HD       LYS   8 -22.756  -5.130  -1.587
   75   2HD   LYS   8          1HD       LYS   8 -24.250  -4.334  -1.095
   76   1HE   LYS   8          2HE       LYS   8 -24.408  -4.423  -3.458
   77   2HE   LYS   8          1HE       LYS   8 -23.981  -2.740  -3.115
   78   1HZ   LYS   8          1HZ       LYS   8 -22.632  -3.670  -4.905
   79   2HZ   LYS   8          2HZ       LYS   8 -21.651  -3.314  -3.624
   80   3HZ   LYS   8          3HZ       LYS   8 -22.068  -4.882  -3.935
   81    H    GLY   9           H        GLY   9 -19.996  -4.311   0.519
   82   1HA   GLY   9          1HA       GLY   9 -20.339  -3.316   3.395
   83   2HA   GLY   9          2HA       GLY   9 -21.245  -4.736   2.836
   84    H    GLU  10           H        GLU  10 -17.947  -3.867   1.925
   85    HA   GLU  10           HA       GLU  10 -16.905  -6.024   3.767
   86   1HB   GLU  10          2HB       GLU  10 -17.558  -7.192   1.634
   87   2HB   GLU  10          1HB       GLU  10 -16.545  -6.079   0.705
   88   1HG   GLU  10          1HG       GLU  10 -15.334  -8.207   1.098
   89   2HG   GLU  10          2HG       GLU  10 -14.500  -6.886   1.928
   90    H    GLU  11           H        GLU  11 -15.452  -4.938   4.816
   91    HA   GLU  11           HA       GLU  11 -13.834  -2.847   3.359
   92   1HB   GLU  11          2HB       GLU  11 -12.883  -2.316   5.591
   93   2HB   GLU  11          1HB       GLU  11 -14.651  -2.315   5.640
   94   1HG   GLU  11          2HG       GLU  11 -14.628  -4.665   6.580
   95   2HG   GLU  11          1HG       GLU  11 -12.856  -4.664   6.534
   96    H    LEU  12           H        LEU  12 -11.612  -2.904   3.191
   97    HA   LEU  12           HA       LEU  12 -10.350  -5.613   3.773
   98   1HB   LEU  12          2HB       LEU  12 -10.127  -4.066   1.117
   99   2HB   LEU  12          1HB       LEU  12  -9.147  -5.476   1.531
  100    HG   LEU  12           HG       LEU  12 -12.223  -5.495   1.377
  101   1HD1  LEU  12          1HD1      LEU  12 -11.160  -5.090  -0.853
  102   2HD1  LEU  12          2HD1      LEU  12 -10.087  -6.495  -0.612
  103   3HD1  LEU  12          3HD1      LEU  12 -11.849  -6.734  -0.773
  104   1HD2  LEU  12          1HD2      LEU  12 -10.146  -7.769   1.623
  105   2HD2  LEU  12          2HD2      LEU  12 -11.898  -7.998   1.376
  106   3HD2  LEU  12          3HD2      LEU  12 -11.301  -7.273   2.890
  107    H    GLN  13           H        GLN  13  -8.194  -5.556   4.185
  108    HA   GLN  13           HA       GLN  13  -7.149  -2.715   4.633
  109   1HB   GLN  13          2HB       GLN  13  -6.510  -5.288   6.201
  110   2HB   GLN  13          1HB       GLN  13  -5.815  -3.694   6.527
  111   1HG   GLN  13          1HG       GLN  13  -8.138  -2.773   6.943
  112   2HG   GLN  13          2HG       GLN  13  -8.822  -4.382   6.656
  113   1HE2  GLN  13          2HE2      GLN  13  -7.991  -2.325   8.983
  114   2HE2  GLN  13          1HE2      GLN  13  -7.570  -3.502  10.325
  115    H    VAL  14           H        VAL  14  -4.897  -2.403   4.442
  116    HA   VAL  14           HA       VAL  14  -3.269  -4.583   3.245
  117    HB   VAL  14           HB       VAL  14  -4.621  -3.897   1.286
  118   1HG1  VAL  14          1HG1      VAL  14  -4.382  -1.610   0.314
  119   2HG1  VAL  14          2HG1      VAL  14  -5.078  -1.513   1.952
  120   3HG1  VAL  14          3HG1      VAL  14  -3.360  -1.106   1.683
  121   1HG2  VAL  14          1HG2      VAL  14  -1.688  -2.958   1.097
  122   2HG2  VAL  14          2HG2      VAL  14  -2.247  -4.646   0.956
  123   3HG2  VAL  14          3HG2      VAL  14  -2.722  -3.442  -0.271
  124    H    ASP  15           H        ASP  15  -1.219  -4.276   3.669
  125    HA   ASP  15           HA       ASP  15  -0.542  -1.709   5.092
  126   1HB   ASP  15          2HB       ASP  15   1.146  -4.247   4.622
  127   2HB   ASP  15          1HB       ASP  15   1.600  -2.894   5.675
  128    H    ILE  16           H        ILE  16   1.221  -0.422   4.551
  129    HA   ILE  16           HA       ILE  16   1.334   0.164   1.713
  130    HB   ILE  16           HB       ILE  16   3.105   1.044   4.057
  131   1HG1  ILE  16          1HG1      ILE  16   2.104   3.304   3.353
  132   2HG1  ILE  16          2HG1      ILE  16   1.014   2.435   2.274
  133   1HG2  ILE  16          1HG2      ILE  16   4.098   2.716   2.429
  134   2HG2  ILE  16          2HG2      ILE  16   3.304   1.849   1.089
  135   3HG2  ILE  16          3HG2      ILE  16   4.568   1.041   2.057
  136   1HD1  ILE  16          1HD1      ILE  16   0.014   1.217   4.247
  137   2HD1  ILE  16          2HD1      ILE  16   1.191   2.001   5.337
  138   3HD1  ILE  16          3HD1      ILE  16  -0.051   2.976   4.508
  139    H    SER  17           H        SER  17   3.600  -1.518   3.864
  140    HA   SER  17           HA       SER  17   5.428  -1.942   1.524
  141   1HB   SER  17          1HB       SER  17   5.611  -3.004   4.412
  142   2HB   SER  17          2HB       SER  17   6.899  -3.102   3.194
  143    HG   SER  17           HG       SER  17   5.666  -0.726   4.157
  144    H    LYS  18           H        LYS  18   2.636  -3.301   2.366
  145    HA   LYS  18           HA       LYS  18   3.545  -6.153   1.963
  146   1HB   LYS  18          1HB       LYS  18   1.510  -5.027   3.451
  147   2HB   LYS  18          2HB       LYS  18   0.602  -5.467   2.004
  148   1HG   LYS  18          2HG       LYS  18   2.385  -7.356   3.681
  149   2HG   LYS  18          1HG       LYS  18   0.624  -7.280   3.763
  150   1HD   LYS  18          2HD       LYS  18   0.489  -7.944   1.322
  151   2HD   LYS  18          1HD       LYS  18   2.258  -8.071   1.277
  152   1HE   LYS  18          2HE       LYS  18   2.188  -9.800   3.113
  153   2HE   LYS  18          1HE       LYS  18   0.418  -9.674   3.166
  154   1HZ   LYS  18          1HZ       LYS  18   1.128 -11.506   1.746
  155   2HZ   LYS  18          2HZ       LYS  18   2.009 -10.497   0.778
  156   3HZ   LYS  18          3HZ       LYS  18   0.363 -10.371   0.821
  157    H    ILE  19           H        ILE  19   2.347  -3.434   0.252
  158    HA   ILE  19           HA       ILE  19   1.106  -4.925  -1.965
  159    HB   ILE  19           HB       ILE  19   2.411  -2.145  -2.027
  160   1HG1  ILE  19          2HG1      ILE  19  -0.463  -3.016  -1.335
  161   2HG1  ILE  19          1HG1      ILE  19   0.716  -2.351  -0.202
  162   1HG2  ILE  19          1HG2      ILE  19   1.920  -3.180  -4.280
  163   2HG2  ILE  19          2HG2      ILE  19   0.225  -3.434  -3.789
  164   3HG2  ILE  19          3HG2      ILE  19   0.869  -1.780  -3.975
  165   1HD1  ILE  19          1HD1      ILE  19  -0.827  -0.551  -0.896
  166   2HD1  ILE  19          2HD1      ILE  19  -0.485  -0.841  -2.617
  167   3HD1  ILE  19          3HD1      ILE  19   0.791  -0.191  -1.551
  168    H    LYS  20           H        LYS  20   2.030  -5.999  -3.530
  169    HA   LYS  20           HA       LYS  20   5.011  -5.477  -3.989
  170   1HB   LYS  20          2HB       LYS  20   3.526  -8.170  -4.146
  171   2HB   LYS  20          1HB       LYS  20   5.240  -7.918  -4.513
  172   1HG   LYS  20          1HG       LYS  20   5.633  -7.101  -2.160
  173   2HG   LYS  20          2HG       LYS  20   3.910  -7.281  -1.807
  174   1HD   LYS  20          2HD       LYS  20   5.063  -9.237  -0.925
  175   2HD   LYS  20          1HD       LYS  20   4.072  -9.761  -2.292
  176   1HE   LYS  20          1HE       LYS  20   6.104  -9.722  -3.790
  177   2HE   LYS  20          2HE       LYS  20   7.092  -9.126  -2.440
  178   1HZ   LYS  20          1HZ       LYS  20   5.619 -11.721  -2.481
  179   2HZ   LYS  20          2HZ       LYS  20   7.251 -11.534  -2.656
  180   3HZ   LYS  20          3HZ       LYS  20   6.527 -11.168  -1.216
  181    H    LYS  21           H        LYS  21   5.664  -5.242  -6.005
  182    HA   LYS  21           HA       LYS  21   5.502  -5.179  -8.420
  183   1HB   LYS  21          2HB       LYS  21   2.847  -6.661  -7.934
  184   2HB   LYS  21          1HB       LYS  21   3.605  -6.408  -9.514
  185   1HG   LYS  21          2HG       LYS  21   5.640  -7.686  -8.757
  186   2HG   LYS  21          1HG       LYS  21   4.938  -7.865  -7.147
  187   1HD   LYS  21          2HD       LYS  21   4.562  -9.941  -8.382
  188   2HD   LYS  21          1HD       LYS  21   3.003  -9.156  -8.104
  189   1HE   LYS  21          2HE       LYS  21   3.159 -10.013 -10.437
  190   2HE   LYS  21          1HE       LYS  21   3.019  -8.248 -10.451
  191   1HZ   LYS  21          1HZ       LYS  21   5.578  -9.770 -10.677
  192   2HZ   LYS  21          2HZ       LYS  21   4.794  -9.013 -11.919
  193   3HZ   LYS  21          3HZ       LYS  21   5.452  -8.123 -10.692
  194    H    VAL  22           H        VAL  22   4.945  -3.495  -9.575
  195    HA   VAL  22           HA       VAL  22   2.243  -2.283  -9.324
  196    HB   VAL  22           HB       VAL  22   3.318  -1.471  -7.237
  197   1HG1  VAL  22          1HG1      VAL  22   5.411  -0.171  -9.097
  198   2HG1  VAL  22          2HG1      VAL  22   5.717  -1.534  -7.987
  199   3HG1  VAL  22          3HG1      VAL  22   5.286   0.067  -7.338
  200   1HG2  VAL  22          1HG2      VAL  22   3.033   0.759  -9.350
  201   2HG2  VAL  22          2HG2      VAL  22   1.692   0.026  -8.429
  202   3HG2  VAL  22          3HG2      VAL  22   2.944   0.973  -7.582
  203    H    TRP  23           H        TRP  23   1.763  -1.094 -11.042
  204    HA   TRP  23           HA       TRP  23   4.042  -0.090 -12.751
  205   1HB   TRP  23          2HB       TRP  23   3.202  -1.196 -14.800
  206   2HB   TRP  23          1HB       TRP  23   3.630  -2.402 -13.582
  207    HD1  TRP  23           HD1      TRP  23   0.584  -0.975 -15.491
  208    HE1  TRP  23           HE1      TRP  23  -1.528  -2.515 -15.096
  209    HE3  TRP  23           HE3      TRP  23   2.590  -3.762 -11.910
  210    HZ2  TRP  23           HZ2      TRP  23  -1.994  -4.635 -13.401
  211    HZ3  TRP  23           HZ3      TRP  23   1.278  -5.562 -10.912
  212    HH2  TRP  23           HH2      TRP  23  -0.975  -5.996 -11.658
  213    H    ARG  24           H        ARG  24   3.623   1.782 -13.572
  214    HA   ARG  24           HA       ARG  24   0.848   2.856 -13.053
  215   1HB   ARG  24          1HB       ARG  24   3.408   4.316 -13.946
  216   2HB   ARG  24          2HB       ARG  24   1.901   5.089 -13.429
  217   1HG   ARG  24          2HG       ARG  24   2.108   3.982 -11.166
  218   2HG   ARG  24          1HG       ARG  24   3.593   3.177 -11.692
  219   1HD   ARG  24          2HD       ARG  24   4.149   5.205 -10.371
  220   2HD   ARG  24          1HD       ARG  24   4.705   5.406 -12.042
  221    HE   ARG  24           HE       ARG  24   2.012   6.529 -11.857
  222   1HH1  ARG  24          1HH2      ARG  24   5.281   6.864 -10.737
  223   2HH1  ARG  24          2HH2      ARG  24   5.130   8.685 -10.566
  224   1HH2  ARG  24          2HH1      ARG  24   1.838   8.682 -11.654
  225   2HH2  ARG  24          1HH1      ARG  24   3.269   9.667 -11.063
  226    H    VAL  25           H        VAL  25  -0.573   3.169 -14.549
  227    HA   VAL  25           HA       VAL  25   0.192   4.082 -17.242
  228    HB   VAL  25           HB       VAL  25   0.769   1.692 -17.499
  229   1HG1  VAL  25          1HG1      VAL  25  -0.822   0.731 -15.791
  230   2HG1  VAL  25          2HG1      VAL  25  -0.985  -0.074 -17.372
  231   3HG1  VAL  25          3HG1      VAL  25  -2.197   1.125 -16.857
  232   1HG2  VAL  25          1HG2      VAL  25  -0.162   2.955 -19.459
  233   2HG2  VAL  25          2HG2      VAL  25  -0.614   1.231 -19.523
  234   3HG2  VAL  25          3HG2      VAL  25  -1.813   2.446 -19.011
  235    H    GLY  26           H        GLY  26  -1.388   5.263 -17.999
  236   1HA   GLY  26          1HA       GLY  26  -3.731   5.875 -18.416
  237   2HA   GLY  26          2HA       GLY  26  -4.240   4.518 -17.391
  238    H    LYS  27           H        LYS  27  -5.693   5.883 -16.341
  239    HA   LYS  27           HA       LYS  27  -4.612   8.257 -14.867
  240   1HB   LYS  27          2HB       LYS  27  -7.355   6.866 -14.749
  241   2HB   LYS  27          1HB       LYS  27  -6.958   8.382 -13.924
  242   1HG   LYS  27          1HG       LYS  27  -6.444   9.475 -16.118
  243   2HG   LYS  27          2HG       LYS  27  -6.699   7.945 -16.964
  244   1HD   LYS  27          2HD       LYS  27  -8.719   9.329 -17.180
  245   2HD   LYS  27          1HD       LYS  27  -9.088   7.886 -16.230
  246   1HE   LYS  27          2HE       LYS  27 -10.113   9.907 -15.196
  247   2HE   LYS  27          1HE       LYS  27  -8.911   9.213 -14.100
  248   1HZ   LYS  27          1HZ       LYS  27  -7.299  10.860 -14.927
  249   2HZ   LYS  27          2HZ       LYS  27  -8.634  11.614 -14.315
  250   3HZ   LYS  27          3HZ       LYS  27  -8.425  11.506 -15.949
  251    H    MET  28           H        MET  28  -6.685   5.683 -13.609
  252    HA   MET  28           HA       MET  28  -5.471   6.002 -10.955
  253   1HB   MET  28          2HB       MET  28  -7.211   3.688 -12.018
  254   2HB   MET  28          1HB       MET  28  -6.788   3.956 -10.324
  255   1HG   MET  28          1HG       MET  28  -8.986   4.919 -10.603
  256   2HG   MET  28          2HG       MET  28  -7.876   6.299 -10.498
  257   1HE   MET  28          1HE       MET  28 -10.842   6.455 -11.621
  258   2HE   MET  28          2HE       MET  28 -10.601   7.506 -13.051
  259   3HE   MET  28          3HE       MET  28  -9.724   7.852 -11.529
  260    H    ILE  29           H        ILE  29  -4.006   4.824  -9.896
  261    HA   ILE  29           HA       ILE  29  -2.203   3.227 -11.704
  262    HB   ILE  29           HB       ILE  29  -1.886   3.895  -8.717
  263   1HG1  ILE  29          1HG1      ILE  29  -2.067   5.996  -9.959
  264   2HG1  ILE  29          2HG1      ILE  29  -0.397   5.738  -9.459
  265   1HG2  ILE  29          1HG2      ILE  29   0.138   2.968 -10.854
  266   2HG2  ILE  29          2HG2      ILE  29   0.554   3.470  -9.193
  267   3HG2  ILE  29          3HG2      ILE  29  -0.444   2.020  -9.462
  268   1HD1  ILE  29          1HD1      ILE  29  -1.512   5.204 -12.296
  269   2HD1  ILE  29          2HD1      ILE  29  -0.477   6.565 -11.806
  270   3HD1  ILE  29          3HD1      ILE  29   0.176   4.909 -11.797
  271    H    SER  30           H        SER  30  -2.059   1.122 -11.747
  272    HA   SER  30           HA       SER  30  -3.947  -0.364  -9.893
  273   1HB   SER  30          2HB       SER  30  -2.444  -1.329 -12.406
  274   2HB   SER  30          1HB       SER  30  -3.644  -2.271 -11.497
  275    HG   SER  30           HG       SER  30  -5.145  -0.589 -11.916
  276    H    PHE  31           H        PHE  31  -3.247  -2.476  -9.117
  277    HA   PHE  31           HA       PHE  31  -0.357  -3.009  -8.864
  278   1HB   PHE  31          2HB       PHE  31  -0.122  -2.543  -6.421
  279   2HB   PHE  31          1HB       PHE  31  -0.433  -1.067  -7.335
  280    HD1  PHE  31           HD1      PHE  31  -2.560   0.058  -7.144
  281    HD2  PHE  31           HD2      PHE  31  -1.838  -3.450  -4.964
  282    HE1  PHE  31           HE1      PHE  31  -4.466   0.537  -5.743
  283    HE2  PHE  31           HE2      PHE  31  -3.744  -2.969  -3.561
  284    HZ   PHE  31           HZ       PHE  31  -5.066  -0.977  -3.947
  285    H    THR  32           H        THR  32  -0.009  -4.681  -7.062
  286    HA   THR  32           HA       THR  32  -2.524  -6.418  -6.954
  287    HB   THR  32           HB       THR  32  -1.082  -8.423  -7.305
  288    HG1  THR  32           HG1      THR  32   1.049  -8.037  -7.983
  289   1HG2  THR  32          1HG2      THR  32  -0.581  -8.049  -9.727
  290   2HG2  THR  32          2HG2      THR  32  -2.147  -7.307  -9.305
  291   3HG2  THR  32          3HG2      THR  32  -0.699  -6.285  -9.501
  292    H    TYR  33           H        TYR  33  -2.973  -5.952  -4.882
  293    HA   TYR  33           HA       TYR  33  -0.830  -6.241  -2.808
  294   1HB   TYR  33          2HB       TYR  33  -2.568  -5.777  -1.159
  295   2HB   TYR  33          1HB       TYR  33  -2.747  -4.631  -2.489
  296    HD1  TYR  33           HD1      TYR  33  -4.512  -5.227  -4.281
  297    HD2  TYR  33           HD2      TYR  33  -4.302  -7.139  -0.557
  298    HE1  TYR  33           HE1      TYR  33  -6.789  -5.981  -4.540
  299    HE2  TYR  33           HE2      TYR  33  -6.584  -7.894  -0.815
  300    HH   TYR  33           HH       TYR  33  -8.357  -7.917  -2.069
  301    H    ASP  34           H        ASP  34  -0.318  -8.022  -1.782
  302    HA   ASP  34           HA       ASP  34  -1.640 -10.502  -2.835
  303   1HB   ASP  34          2HB       ASP  34   0.812 -10.175  -0.997
  304   2HB   ASP  34          1HB       ASP  34   0.297 -11.689  -1.762
  305    H    GLU  35           H        GLU  35  -3.080 -11.594  -1.851
  306    HA   GLU  35           HA       GLU  35  -3.009 -11.696   1.179
  307   1HB   GLU  35          1HB       GLU  35  -5.554 -11.136  -0.468
  308   2HB   GLU  35          2HB       GLU  35  -5.548 -11.545   1.252
  309   1HG   GLU  35          2HG       GLU  35  -4.149  -9.099   0.009
  310   2HG   GLU  35          1HG       GLU  35  -5.697  -9.067   0.871
  311    HE2  GLU  35           HE2      GLU  35  -2.757  -8.234   3.008
  312    H    GLY  36           H        GLY  36  -4.939 -12.780  -1.575
  313   1HA   GLY  36          1HA       GLY  36  -5.475 -15.407  -0.416
  314   2HA   GLY  36          2HA       GLY  36  -5.653 -15.024  -2.140
  315    H    GLY  37           H        GLY  37  -3.044 -14.263  -2.742
  316   1HA   GLY  37          1HA       GLY  37  -0.772 -15.279  -2.919
  317   2HA   GLY  37          2HA       GLY  37  -1.361 -16.690  -2.015
  318    H    GLY  38           H        GLY  38  -3.238 -17.838  -3.137
  319   1HA   GLY  38          2HA       GLY  38  -2.372 -18.380  -5.987
  320   2HA   GLY  38          1HA       GLY  38  -3.588 -19.317  -5.090
  321    H    LYS  39           H        LYS  39  -4.789 -16.770  -4.103
  322    HA   LYS  39           HA       LYS  39  -6.141 -15.961  -6.726
  323   1HB   LYS  39          1HB       LYS  39  -7.398 -16.117  -3.917
  324   2HB   LYS  39          2HB       LYS  39  -8.216 -15.530  -5.374
  325   1HG   LYS  39          2HG       LYS  39  -7.872 -17.771  -6.481
  326   2HG   LYS  39          1HG       LYS  39  -6.994 -18.342  -5.057
  327   1HD   LYS  39          2HD       LYS  39  -9.273 -19.180  -4.912
  328   2HD   LYS  39          1HD       LYS  39  -9.061 -17.973  -3.639
  329   1HE   LYS  39          1HE       LYS  39 -10.210 -16.245  -5.069
  330   2HE   LYS  39          2HE       LYS  39 -10.343 -17.418  -6.394
  331   1HZ   LYS  39          1HZ       LYS  39 -11.687 -18.832  -4.927
  332   2HZ   LYS  39          2HZ       LYS  39 -11.560 -17.745  -3.689
  333   3HZ   LYS  39          3HZ       LYS  39 -12.373 -17.336  -5.068
  334    H    THR  40           H        THR  40  -4.092 -14.618  -6.417
  335    HA   THR  40           HA       THR  40  -4.018 -12.479  -4.473
  336    HB   THR  40           HB       THR  40  -3.079 -12.427  -7.405
  337    HG1  THR  40           HG1      THR  40  -1.798 -13.172  -4.985
  338   1HG2  THR  40          1HG2      THR  40  -3.067 -10.150  -6.336
  339   2HG2  THR  40          2HG2      THR  40  -1.402 -10.753  -6.550
  340   3HG2  THR  40          3HG2      THR  40  -2.168 -10.802  -4.940
  341    H    GLY  41           H        GLY  41  -5.094 -10.667  -4.234
  342   1HA   GLY  41          2HA       GLY  41  -7.388 -10.201  -6.148
  343   2HA   GLY  41          1HA       GLY  41  -7.195  -9.411  -4.572
  344    H    ARG  42           H        ARG  42  -7.561  -8.538  -7.482
  345    HA   ARG  42           HA       ARG  42  -5.194  -6.601  -7.524
  346   1HB   ARG  42          1HB       ARG  42  -7.135  -7.356  -9.797
  347   2HB   ARG  42          2HB       ARG  42  -5.755  -6.258  -9.942
  348   1HG   ARG  42          2HG       ARG  42  -4.193  -8.142  -9.296
  349   2HG   ARG  42          1HG       ARG  42  -5.578  -9.231  -9.132
  350   1HD   ARG  42          1HD       ARG  42  -4.538  -9.551 -11.352
  351   2HD   ARG  42          2HD       ARG  42  -6.163  -8.869 -11.559
  352    HE   ARG  42           HE       ARG  42  -4.276  -6.642 -11.446
  353   1HH1  ARG  42          1HH1      ARG  42  -5.198  -9.446 -13.272
  354   2HH1  ARG  42          2HH1      ARG  42  -4.669  -8.694 -14.861
  355   1HH2  ARG  42          2HH2      ARG  42  -3.651  -5.758 -13.327
  356   2HH2  ARG  42          1HH2      ARG  42  -3.833  -6.700 -14.890
  357    H    GLY  43           H        GLY  43  -5.563  -4.449  -7.607
  358   1HA   GLY  43          2HA       GLY  43  -8.435  -3.503  -7.751
  359   2HA   GLY  43          1HA       GLY  43  -7.612  -3.225  -6.201
  360    H    ALA  44           H        ALA  44  -8.227  -0.981  -6.970
  361    HA   ALA  44           HA       ALA  44  -5.718   0.258  -7.981
  362   1HB   ALA  44          1HB       ALA  44  -6.793  -0.434 -10.153
  363   2HB   ALA  44          2HB       ALA  44  -6.752   1.344 -10.006
  364   3HB   ALA  44          3HB       ALA  44  -8.273   0.458  -9.711
  365    H    VAL  45           H        VAL  45  -5.785   2.561  -7.931
  366    HA   VAL  45           HA       VAL  45  -8.213   3.873  -6.832
  367    HB   VAL  45           HB       VAL  45  -7.322   2.663  -4.827
  368   1HG1  VAL  45          1HG2      VAL  45  -4.878   2.709  -5.427
  369   2HG1  VAL  45          2HG2      VAL  45  -5.164   3.391  -3.806
  370   3HG1  VAL  45          3HG2      VAL  45  -4.849   4.477  -5.183
  371   1HG2  VAL  45          1HG1      VAL  45  -7.307   4.641  -3.297
  372   2HG2  VAL  45          2HG1      VAL  45  -8.562   4.824  -4.550
  373   3HG2  VAL  45          3HG1      VAL  45  -7.030   5.730  -4.682
  374    H    SER  46           H        SER  46  -8.129   6.034  -7.091
  375    HA   SER  46           HA       SER  46  -6.096   7.030  -8.936
  376   1HB   SER  46          1HB       SER  46  -7.130   9.280  -8.544
  377   2HB   SER  46          2HB       SER  46  -8.380   8.043  -8.777
  378    HG   SER  46           HG       SER  46  -7.387   8.987  -6.285
  379    H    GLU  47           H        GLU  47  -4.389   8.368  -8.646
  380    HA   GLU  47           HA       GLU  47  -3.236   8.182  -5.853
  381   1HB   GLU  47          1HB       GLU  47  -1.063   8.715  -6.925
  382   2HB   GLU  47          2HB       GLU  47  -1.844   7.339  -7.713
  383   1HG   GLU  47          1HG       GLU  47  -2.715   8.872  -9.530
  384   2HG   GLU  47          2HG       GLU  47  -1.920  10.249  -8.746
  385    H    LYS  48           H        LYS  48  -5.172  10.253  -7.299
  386    HA   LYS  48           HA       LYS  48  -3.626  12.753  -6.793
  387   1HB   LYS  48          2HB       LYS  48  -5.402  12.639  -8.556
  388   2HB   LYS  48          1HB       LYS  48  -6.628  12.308  -7.323
  389   1HG   LYS  48          1HG       LYS  48  -6.177  14.535  -6.245
  390   2HG   LYS  48          2HG       LYS  48  -4.865  14.836  -7.387
  391   1HD   LYS  48          2HD       LYS  48  -6.845  16.041  -8.153
  392   2HD   LYS  48          1HD       LYS  48  -6.486  14.753  -9.307
  393   1HE   LYS  48          2HE       LYS  48  -8.931  14.865  -8.819
  394   2HE   LYS  48          1HE       LYS  48  -8.274  13.310  -8.285
  395   1HZ   LYS  48          1HZ       LYS  48  -9.672  14.314  -6.578
  396   2HZ   LYS  48          2HZ       LYS  48  -8.119  14.227  -6.021
  397   3HZ   LYS  48          3HZ       LYS  48  -8.738  15.674  -6.524
  398    H    ASP  49           H        ASP  49  -5.801  10.659  -5.065
  399    HA   ASP  49           HA       ASP  49  -5.542  12.599  -2.716
  400   1HB   ASP  49          2HB       ASP  49  -7.839  11.927  -1.997
  401   2HB   ASP  49          1HB       ASP  49  -7.873  12.644  -3.617
  402    H    ALA  50           H        ALA  50  -3.934  10.319  -3.527
  403    HA   ALA  50           HA       ALA  50  -4.716   8.189  -1.559
  404   1HB   ALA  50          1HB       ALA  50  -2.591   7.060  -2.381
  405   2HB   ALA  50          2HB       ALA  50  -2.196   8.519  -3.330
  406   3HB   ALA  50          3HB       ALA  50  -3.637   7.551  -3.738
  407    HA   PRO  51           HA       PRO  51  -2.541   9.777   1.959
  408   1HB   PRO  51          1HB       PRO  51  -0.947   7.168   1.834
  409   2HB   PRO  51          2HB       PRO  51  -1.692   7.922   3.272
  410   1HG   PRO  51          1HG       PRO  51  -2.975   5.853   2.097
  411   2HG   PRO  51          2HG       PRO  51  -3.924   7.303   2.526
  412   1HD   PRO  51          1HD       PRO  51  -2.889   6.502  -0.239
  413   2HD   PRO  51          2HD       PRO  51  -4.476   7.214   0.218
  414    H    LYS  52           H        LYS  52  -0.569  10.685   2.586
  415    HA   LYS  52           HA       LYS  52   1.064  11.366   0.214
  416   1HB   LYS  52          1HB       LYS  52   1.503  12.125   3.168
  417   2HB   LYS  52          2HB       LYS  52   2.264  12.910   1.775
  418   1HG   LYS  52          2HG       LYS  52  -0.024  13.557   0.901
  419   2HG   LYS  52          1HG       LYS  52  -0.775  12.776   2.303
  420   1HD   LYS  52          2HD       LYS  52   0.499  14.319   3.843
  421   2HD   LYS  52          1HD       LYS  52   1.242  15.104   2.440
  422   1HE   LYS  52          2HE       LYS  52  -1.043  15.757   1.587
  423   2HE   LYS  52          1HE       LYS  52  -1.794  14.958   2.982
  424   1HZ   LYS  52          1HZ       LYS  52  -1.491  17.334   3.374
  425   2HZ   LYS  52          2HZ       LYS  52   0.141  17.224   3.143
  426   3HZ   LYS  52          3HZ       LYS  52  -0.561  16.482   4.441
  427    H    GLU  53           H        GLU  53   1.301   9.066   2.739
  428    HA   GLU  53           HA       GLU  53   4.219   8.828   2.750
  429   1HB   GLU  53          2HB       GLU  53   2.092   6.671   3.310
  430   2HB   GLU  53          1HB       GLU  53   3.811   6.534   3.706
  431   1HG   GLU  53          2HG       GLU  53   3.635   8.599   5.163
  432   2HG   GLU  53          1HG       GLU  53   1.903   8.700   4.800
  433    H    LEU  54           H        LEU  54   1.677   7.530   0.697
  434    HA   LEU  54           HA       LEU  54   3.568   5.680  -0.678
  435   1HB   LEU  54          1HB       LEU  54   0.818   6.765  -1.546
  436   2HB   LEU  54          2HB       LEU  54   1.709   5.516  -2.421
  437    HG   LEU  54           HG       LEU  54   0.847   5.257   0.524
  438   1HD1  LEU  54          1HD2      LEU  54  -1.116   5.390  -1.037
  439   2HD1  LEU  54          2HD2      LEU  54  -0.928   3.739  -0.384
  440   3HD1  LEU  54          3HD2      LEU  54  -0.405   4.106  -2.050
  441   1HD2  LEU  54          1HD1      LEU  54   1.344   2.814   0.104
  442   2HD2  LEU  54          2HD1      LEU  54   1.945   3.220  -1.524
  443   3HD2  LEU  54          3HD1      LEU  54   2.807   3.813  -0.078
  444    H    LEU  55           H        LEU  55   2.535   9.003  -0.999
  445    HA   LEU  55           HA       LEU  55   3.622   9.261  -3.746
  446   1HB   LEU  55          1HB       LEU  55   3.154  11.435  -1.614
  447   2HB   LEU  55          2HB       LEU  55   3.466  11.742  -3.325
  448    HG   LEU  55           HG       LEU  55   1.060  10.159  -2.232
  449   1HD1  LEU  55          1HD2      LEU  55  -0.238  12.204  -2.871
  450   2HD1  LEU  55          2HD2      LEU  55   0.999  12.602  -1.650
  451   3HD1  LEU  55          3HD2      LEU  55   1.270  13.023  -3.361
  452   1HD2  LEU  55          1HD1      LEU  55   1.733  11.166  -5.075
  453   2HD2  LEU  55          2HD1      LEU  55   1.670   9.458  -4.561
  454   3HD2  LEU  55          3HD1      LEU  55   0.182  10.434  -4.585
  455    H    GLN  56           H        GLN  56   4.818   9.719  -0.470
  456    HA   GLN  56           HA       GLN  56   7.434  10.725  -1.539
  457   1HB   GLN  56          1HB       GLN  56   6.620   9.889   1.316
  458   2HB   GLN  56          2HB       GLN  56   8.146  10.674   0.882
  459   1HG   GLN  56          1HG       GLN  56   6.862  12.651  -0.041
  460   2HG   GLN  56          2HG       GLN  56   5.338  11.877   0.428
  461   1HE2  GLN  56          2HE2      GLN  56   4.966  13.694   1.742
  462   2HE2  GLN  56          1HE2      GLN  56   5.762  13.827   3.389
  463    H    MET  57           H        MET  57   5.946   7.732  -0.968
  464    HA   MET  57           HA       MET  57   8.583   6.310  -0.590
  465   1HB   MET  57          2HB       MET  57   6.466   5.427   0.466
  466   2HB   MET  57          1HB       MET  57   5.751   5.217  -1.135
  467   1HG   MET  57          1HG       MET  57   6.709   3.055  -0.291
  468   2HG   MET  57          2HG       MET  57   7.545   3.580  -1.765
  469   1HE   MET  57          1HE       MET  57   7.794   4.828   2.065
  470   2HE   MET  57          2HE       MET  57   7.643   3.043   2.066
  471   3HE   MET  57          3HE       MET  57   9.173   3.815   2.587
  472    H    LEU  58           H        LEU  58   6.588   7.587  -2.998
  473    HA   LEU  58           HA       LEU  58   8.282   6.170  -5.105
  474   1HB   LEU  58          2HB       LEU  58   5.277   6.821  -5.337
  475   2HB   LEU  58          1HB       LEU  58   6.269   6.114  -6.614
  476    HG   LEU  58           HG       LEU  58   5.725   4.800  -3.881
  477   1HD1  LEU  58          1HD1      LEU  58   4.221   3.293  -5.202
  478   2HD1  LEU  58          2HD1      LEU  58   4.546   4.242  -6.677
  479   3HD1  LEU  58          3HD1      LEU  58   3.674   4.988  -5.310
  480   1HD2  LEU  58          1HD2      LEU  58   7.065   3.732  -6.453
  481   2HD2  LEU  58          2HD2      LEU  58   6.643   2.741  -5.031
  482   3HD2  LEU  58          3HD2      LEU  58   7.877   4.016  -4.888
  483    H    GLU  59           H        GLU  59   8.777   9.736  -5.714
  484    HA   GLU  59           HA       GLU  59   9.735   7.449  -4.094
  485   1HB   GLU  59          2HB       GLU  59  10.658   7.666  -7.040
  486   2HB   GLU  59          1HB       GLU  59  11.490   6.720  -5.805
  487   1HG   GLU  59          2HG       GLU  59   9.397   5.332  -5.467
  488   2HG   GLU  59          1HG       GLU  59   8.613   6.228  -6.783
  489    H    LYS  60           H        LYS  60  11.953   7.691  -3.557
  490    HA   LYS  60           HA       LYS  60  13.008  10.486  -4.247
  491   1HB   LYS  60          1HB       LYS  60  13.232   8.881  -1.641
  492   2HB   LYS  60          2HB       LYS  60  14.500  10.014  -2.108
  493   1HG   LYS  60          1HG       LYS  60  13.024  11.250  -0.695
  494   2HG   LYS  60          2HG       LYS  60  12.788  11.862  -2.333
  495   1HD   LYS  60          2HD       LYS  60  10.701  10.469  -2.556
  496   2HD   LYS  60          1HD       LYS  60  10.992   9.768  -0.956
  497   1HE   LYS  60          1HE       LYS  60   9.335  11.610  -0.786
  498   2HE   LYS  60          2HE       LYS  60  10.814  12.053   0.089
  499   1HZ   LYS  60          1HZ       LYS  60  10.051  13.858  -1.343
  500   2HZ   LYS  60          2HZ       LYS  60  10.144  12.907  -2.692
  501   3HZ   LYS  60          3HZ       LYS  60  11.519  13.323  -1.877
  502    H    GLN  61           H        GLN  61  14.673  10.431  -5.495
  503    HA   GLN  61           HA       GLN  61  16.459   7.949  -5.342
  504   1HB   GLN  61          2HB       GLN  61  15.685   9.552  -7.856
  505   2HB   GLN  61          1HB       GLN  61  16.871   8.241  -7.816
  506   1HG   GLN  61          2HG       GLN  61  15.092   6.654  -6.976
  507   2HG   GLN  61          1HG       GLN  61  13.896   7.959  -7.049
  508   1HE2  GLN  61          2HE2      GLN  61  15.973   5.841  -8.872
  509   2HE2  GLN  61          1HE2      GLN  61  15.164   6.118 -10.495
  510    H    LYS  62           H        LYS  62  17.749   9.128  -3.882
  511    HA   LYS  62           HA       LYS  62  18.906  11.729  -4.713
  512   1HB   LYS  62          1HB       LYS  62  19.752   9.689  -2.563
  513   2HB   LYS  62          2HB       LYS  62  20.683  11.144  -2.916
  514   1HG   LYS  62          1HG       LYS  62  19.299  11.729  -1.078
  515   2HG   LYS  62          2HG       LYS  62  18.611  12.560  -2.474
  516   1HD   LYS  62          1HD       LYS  62  16.853  10.770  -2.680
  517   2HD   LYS  62          2HD       LYS  62  17.578   9.884  -1.329
  518   1HE   LYS  62          2HE       LYS  62  16.436  12.750  -1.173
  519   2HE   LYS  62          1HE       LYS  62  15.603  11.285  -0.620
  520   1HZ   LYS  62          1HZ       LYS  62  18.215  12.266   0.436
  521   2HZ   LYS  62          2HZ       LYS  62  16.757  12.383   1.205
  522   3HZ   LYS  62          3HZ       LYS  62  17.439  10.901   0.946