*HEADER    MEMBRANE PROTEIN                        10-SEP-14   2MUJ              
*TITLE     PLASMODIUM FALCIPARUM SERA PROTEIN PEPTIDE ANALOGUES HAVING SHORT     
*TITLE    2 HELICAL REGIONS INDUCE PROTECTION AGAINST MALARIA                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERINE-REPEAT ANTIGEN PROTEIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 400-420;                                      
*COMPND   5 SYNONYM: 111 KDA ANTIGEN, P126;                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
*SOURCE   4 ORGANISM_TAXID: 5838                                                 
*KEYWDS    SERA, PEPTIDE ANALOGUE, MEMBRANE PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    13                                                                    
*AUTHOR    M.CUBILLOS, M.ALBA, A.BERMUDEZ, M.TRUJILLO, M.E.PATARROYO             
*REVDAT   1   11-FEB-15 2MUJ    0                                                


!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_6:HG2*    1:VAL_6:HG1*    1:VAL_6:CG2     1:VAL_6:CG1     1:VAL_6:CB     
!
#chiral
1:TYR_1:CA         S
1:ASP_2:CA         S
1:ASN_3:CA         S
1:ILE_4:CA         S
1:ILE_4:CB         S
1:LEU_5:CA         S
1:VAL_6:CA         S
1:LYS_7:CA         S
1:MET_8:CA         S
1:PHE_9:CA         S
1:LYS_10:CA        S
1:THR_11:CA        S
1:THR_11:CB        R
1:ASN_12:CA        S
1:GLU_13:CA        S
1:ASN_14:CA        S
1:ASN_15:CA        S
1:ASP_16:CA        S
1:LYS_17:CA        S
1:SER_18:CA        S
1:GLU_19:CA        S
1:LEU_20:CA        S
1:ILE_21:CA        S
1:ILE_21:CB        S
!
#distance
1:MET_8:O          1:ASN_12:HN         1.800  2.500 30.00 30.00 1000.000
1:LYS_10:O         1:ASN_14:HN         1.800  2.500 30.00 30.00 1000.000
1:THR_11:O         1:ASN_15:HN         1.800  2.500 30.00 30.00 1000.000
1:ASN_12:O         1:ASP_16:HN         1.800  2.500 30.00 30.00 1000.000
!
#NOE_distance
1:ASP_2:HN         1:ASP_2:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_3:HN         1:ASN_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_16:HN        1:ASP_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:       
1:ASN_12:HN        1:ASN_12:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_15:HN        1:ASN_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_14:HN        1:ASN_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_10:HN        1:LYS_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_8:HN         1:MET_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_9:HN         1:PHE_9:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_13:HN        1:GLU_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:THR_11:HN        1:THR_11:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HN        1:LYS_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_18:HN        1:SER_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:GLU_19:HN        1:GLU_19:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:THR_11:HN        1:THR_11:HB         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LEU_20:HN        1:LEU_20:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
1:VAL_6:HN         1:VAL_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_7:HN         1:LYS_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_21:HN        1:ILE_21:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_5:HN         1:LEU_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_3:HN         1:ASP_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_18:HN        1:ASN_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:       
1:LYS_10:HN        1:PHE_9:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_2:HN         1:TYR_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:PHE_9:HN         1:MET_8:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_10:HN        1:LYS_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:MET_8:HN         1:LYS_7:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:SER_18:HN        1:LYS_17:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_21:HN        1:LEU_20:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_7:HN         1:VAL_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:PHE_9:HN         1:VAL_6:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ILE_4:HN         1:ILE_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:SER_18:HN        1:SER_18:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_7:HN         1:ILE_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LEU_5:HN         1:ILE_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_6:HN         1:ILE_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:LYS_7:HN         1:LEU_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ILE_4:HN         1:ILE_4:HG2*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:THR_11:HN        1:THR_11:HG2*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_7:HN         1:VAL_6:HGS*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_7:HN         1:VAL_6:HGR*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:                
1:VAL_6:HN         1:VAL_6:HGS*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_5:HN         1:ILE_4:HG2*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_21:HN        1:ILE_21:HG2*       3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:VAL_6:HN         1:VAL_6:HB          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_21:HN        1:ILE_21:HB         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_7:HN         1:VAL_6:HB          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_10:HN        1:LYS_10:HD*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_10:HN        1:LYS_10:HBS        3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:LYS_10:HN        1:LYS_10:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_8:HN         1:MET_8:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:MET_8:HN         1:MET_8:HBR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:        
1:MET_8:HN         1:LYS_7:HB*         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:PHE_9:HN         1:MET_8:HBS         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:PHE_9:HN         1:MET_8:HBR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:GLU_13:HN        1:GLU_13:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_13:HN        1:GLU_13:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HN        1:LYS_17:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HN        1:LYS_17:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_4:HN         1:ILE_4:HB          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_19:HN        1:GLU_19:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_19:HN        1:GLU_19:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_20:HN        1:LEU_20:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_20:HN        1:LEU_20:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_8:HN         1:MET_8:HGR         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:MET_8:HN         1:MET_8:HGS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_2:HN         1:ASP_2:HBR         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_2:HN         1:ASP_2:HBS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_3:HN         1:ASN_3:HB*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_16:HN        1:ASP_16:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_12:HN        1:ASN_12:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_15:HN        1:ASN_15:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HN        1:ASP_16:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_14:HN        1:ASN_14:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_12:HD21      1:ASN_12:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_15:HD21      1:ASN_15:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_3:HD21       1:ASN_3:HB*         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_14:HD21      1:ASN_14:HB*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:THR_11:HN        1:LYS_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:THR_11:HA        1:THR_11:HB         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:SER_18:HBS       1:SER_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:SER_18:HBR       1:SER_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:SER_18:HN        1:SER_18:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_13:HN        1:GLU_13:HG*        3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:GLU_19:HN        1:GLU_19:HG*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:PHE_9:HB*        1:PHE_9:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:                
1:TYR_1:HBR        1:TYR_1:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_16:HB*       1:GLU_13:HA         3.500  6.000  5.000 30.00 30.00 1000.000  0.00 !weak:         
1:ASP_16:HB*       1:ASP_16:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_3:HB*        1:ASN_3:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASP_2:HBS        1:ASP_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_15:HB*       1:ASN_15:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASP_2:HBR        1:ASP_2:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:         
1:ASN_12:HB*       1:MET_8:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_12:HB*       1:PHE_9:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_8:HGS        1:MET_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:MET_8:HGR        1:MET_8:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_8:HBS        1:MET_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:MET_8:HBR        1:MET_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_19:HG*       1:GLU_19:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_19:HBR       1:GLU_19:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:GLU_19:HBS       1:GLU_19:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_6:HB         1:VAL_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_4:HB         1:ILE_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_10:HBS       1:LYS_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_17:HBR       1:LYS_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:LYS_17:HBS       1:LYS_17:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_20:HBR       1:LEU_20:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_10:HGR       1:LYS_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_10:HGS       1:LYS_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_5:HB*        1:LEU_5:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:THR_11:HG2*      1:THR_11:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:THR_11:HG2*      1:THR_11:HB         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_6:HGR*       1:VAL_6:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_6:HGS*       1:VAL_6:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ILE_4:HG2*       1:ILE_4:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:TYR_1:HBS        1:TYR_1:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_3:HD21       1:ASN_3:HD22        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_14:HD21      1:ASN_14:HD22       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_15:HD21      1:ASN_15:HD22       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:ASN_12:HD21      1:ASN_12:HD22       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:VAL_6:HN         1:LEU_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:VAL_6:HN         1:LYS_7:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ILE_21:HN        1:LEU_20:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_5:HN         1:ILE_4:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LEU_20:HN        1:GLU_19:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:LYS_7:HN         1:MET_8:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLU_19:HN        1:SER_18:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:                  
1:LYS_17:HN        1:ASP_16:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:       
1:ILE_4:HN         1:ASN_3:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:MET_8:HN         1:PHE_9:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:THR_11:HN        1:LYS_10:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:ASN_3:HN         1:ASP_2:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:          
1:ASP_16:HN        1:ASN_15:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_15:HN        1:ASN_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_15:HN        1:ASN_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_17:HN        1:ASN_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_14:HN        1:ASN_12:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak: 
1:LYS_17:HN        1:ASP_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_18:HN        1:ASP_16:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak: 
1:GLU_19:HN        1:ASN_15:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ILE_4:HN         1:ASN_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_20:HN        1:ASP_16:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_10:HN        1:MET_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:PHE_9:HN         1:LEU_5:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:MET_8:HN         1:LEU_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASP_16:HN        1:GLU_13:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:LYS_10:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:THR_11:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_12:HN        1:MET_8:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_13:HN        1:LYS_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_15:HN        1:THR_11:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_14:HN        1:THR_11:HA         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASN_14:HN        1:GLU_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:THR_11:HN        1:MET_8:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:GLU_19:HN        1:SER_18:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_20:HN        1:GLU_19:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_10:HN        1:VAL_6:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:MET_8:HN         1:ILE_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:THR_11:HN        1:LYS_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_17:HN        1:LYS_17:HD*        2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_12:HB*       1:ASN_12:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_14:HB*       1:ASN_14:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LYS_10:HBR       1:LYS_10:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LYS_7:HGR        1:LYS_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HGS        1:LYS_7:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HGR        1:ILE_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_7:HGS        1:ILE_4:HA          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:LYS_17:HG*       1:LYS_17:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:LEU_5:HN         1:ASN_3:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:MET_8:HN         1:LEU_5:HN          3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:GLU_13:HN        1:ASN_14:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_14:HN        1:ASN_15:HN         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_18:HN        1:ASP_16:HN         3.500  5.000  5.000 30.00 30.00 1000.000  0.00 !weak:
1:ASP_16:HN        1:ASN_15:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
!
#mixing_times
3.500000E+02 
!
#NMR_dihedral
1:TYR_1:CA         1:TYR_1:C          1:ASP_2:N          1:ASP_2:CA         178.000 180.000 500.00 500.00 1000.000
1:ASP_2:CA         1:ASP_2:C          1:ASN_3:N          1:ASN_3:CA         178.000 180.000 500.00 500.00 1000.000
1:ASN_3:CA         1:ASN_3:C          1:ILE_4:N          1:ILE_4:CA         178.000 180.000 500.00 500.00 1000.000
1:ILE_4:CA         1:ILE_4:C          1:LEU_5:N          1:LEU_5:CA         178.000 180.000 500.00 500.00 1000.000
1:LEU_5:CA         1:LEU_5:C          1:VAL_6:N          1:VAL_6:CA         178.000 180.000 500.00 500.00 1000.000
1:VAL_6:CA         1:VAL_6:C          1:LYS_7:N          1:LYS_7:CA         178.000 180.000 500.00 500.00 1000.000
1:LYS_7:CA         1:LYS_7:C          1:MET_8:N          1:MET_8:CA         178.000 180.000 500.00 500.00 1000.000
1:MET_8:CA         1:MET_8:C          1:PHE_9:N          1:PHE_9:CA         178.000 180.000 500.00 500.00 1000.000
1:PHE_9:CA         1:PHE_9:C          1:LYS_10:N         1:LYS_10:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_10:CA        1:LYS_10:C         1:THR_11:N         1:THR_11:CA        178.000 180.000 500.00 500.00 1000.000
1:THR_11:CA        1:THR_11:C         1:ASN_12:N         1:ASN_12:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_12:CA        1:ASN_12:C         1:GLU_13:N         1:GLU_13:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_13:CA        1:GLU_13:C         1:ASN_14:N         1:ASN_14:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_14:CA        1:ASN_14:C         1:ASN_15:N         1:ASN_15:CA        178.000 180.000 500.00 500.00 1000.000
1:ASN_15:CA        1:ASN_15:C         1:ASP_16:N         1:ASP_16:CA        178.000 180.000 500.00 500.00 1000.000
1:ASP_16:CA        1:ASP_16:C         1:LYS_17:N         1:LYS_17:CA        178.000 180.000 500.00 500.00 1000.000
1:LYS_17:CA        1:LYS_17:C         1:SER_18:N         1:SER_18:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_18:CA        1:SER_18:C         1:GLU_19:N         1:GLU_19:CA        178.000 180.000 500.00 500.00 1000.000
1:GLU_19:CA        1:GLU_19:C         1:LEU_20:N         1:LEU_20:CA        178.000 180.000 500.00 500.00 1000.000
1:LEU_20:CA        1:LEU_20:C         1:ILE_21:N         1:ILE_21:CA        178.000 180.000 500.00 500.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           H        TYR   1 -19.625  -5.682   1.358
    2    HA   TYR   1           HA       TYR   1 -18.465  -3.698   1.626
    3    HB2  TYR   1           HB3      TYR   1 -18.174  -4.236   4.632
    4    HB3  TYR   1           HB2      TYR   1 -17.764  -2.745   3.800
    5    HD1  TYR   1           HD2      TYR   1 -19.621  -1.376   2.641
    6    HD2  TYR   1           HD3      TYR   1 -20.499  -4.653   5.290
    7    HE1  TYR   1           HE2      TYR   1 -21.910  -0.532   2.940
    8    HE2  TYR   1           HE3      TYR   1 -22.782  -3.796   5.581
    9    HH   TYR   1           HH       TYR   1 -24.248  -2.220   5.037
   10    H    ASP   2           H        ASP   2 -16.684  -3.823   0.497
   11    HA   ASP   2           HA       ASP   2 -14.080  -4.570   1.836
   12    HB2  ASP   2           HB3      ASP   2 -14.913  -6.707   0.734
   13    HB3  ASP   2           HB2      ASP   2 -14.905  -5.913  -0.829
   14    HD2  ASP   2           HD2      ASP   2 -11.490  -6.175  -1.296
   15    H    ASN   3           H        ASN   3 -12.411  -3.326   1.088
   16    HA   ASN   3           HA       ASN   3 -12.517  -1.728  -1.327
   17    HB2  ASN   3           HB3      ASN   3 -12.612  -0.154   1.336
   18    HB3  ASN   3           HB2      ASN   3 -12.086   0.521  -0.188
   19   HD21  ASN   3          HD22      ASN   3 -14.838  -0.133   1.717
   20   HD22  ASN   3          HD21      ASN   3 -16.078   0.419   0.482
   21    H    ILE   4           H        ILE   4 -10.921  -3.539  -1.238
   22    HA   ILE   4           HA       ILE   4  -8.490  -3.204   0.286
   23    HB   ILE   4           HB       ILE   4  -9.327  -5.363  -0.498
   24   HG12  ILE   4          HG12      ILE   4  -6.437  -4.920  -1.440
   25   HG13  ILE   4          HG11      ILE   4  -6.914  -4.931   0.249
   26   HG21  ILE   4          HG21      ILE   4  -8.948  -6.211  -2.787
   27   HG22  ILE   4          HG22      ILE   4  -9.975  -4.768  -2.859
   28   HG23  ILE   4          HG23      ILE   4  -8.253  -4.649  -3.301
   29   HD11  ILE   4          HD11      ILE   4  -6.040  -7.142  -0.339
   30   HD12  ILE   4          HD12      ILE   4  -7.203  -7.327  -1.670
   31   HD13  ILE   4          HD13      ILE   4  -7.775  -7.306   0.020
   32    H    LEU   5           H        LEU   5  -9.396  -1.800  -2.762
   33    HA   LEU   5           HA       LEU   5  -6.721  -1.211  -3.737
   34    HB2  LEU   5           HB3      LEU   5  -8.886  -1.341  -5.168
   35    HB3  LEU   5           HB2      LEU   5  -9.387   0.181  -4.475
   36    HG   LEU   5           HG       LEU   5  -7.343   1.287  -5.495
   37   HD11  LEU   5          HD21      LEU   5  -6.093   0.121  -7.339
   38   HD12  LEU   5          HD22      LEU   5  -5.805  -0.665  -5.780
   39   HD13  LEU   5          HD23      LEU   5  -6.922  -1.409  -6.951
   40   HD21  LEU   5          HD11      LEU   5  -9.565   1.399  -6.615
   41   HD22  LEU   5          HD12      LEU   5  -8.259   1.349  -7.813
   42   HD23  LEU   5          HD13      LEU   5  -9.228  -0.113  -7.495
   43    H    VAL   6           H        VAL   6  -8.974   0.839  -1.918
   44    HA   VAL   6           HA       VAL   6  -7.286   3.237  -1.852
   45    HB   VAL   6           HB       VAL   6  -9.859   2.935  -1.236
   46   HG11  VAL   6          HG11      VAL   6  -9.659   1.370   0.651
   47   HG12  VAL   6          HG12      VAL   6  -8.863   2.641   1.621
   48   HG13  VAL   6          HG13      VAL   6 -10.536   2.866   1.046
   49   HG21  VAL   6          HG21      VAL   6  -8.104   4.850   0.434
   50   HG22  VAL   6          HG22      VAL   6  -9.831   5.070   0.047
   51   HG23  VAL   6          HG23      VAL   6  -8.615   5.138  -1.250
   52    H    LYS   7           H        LYS   7  -7.538   0.703   0.472
   53    HA   LYS   7           HA       LYS   7  -5.383   1.535   2.259
   54    HB2  LYS   7           HB2      LYS   7  -6.168  -1.407   1.765
   55    HB3  LYS   7           HB3      LYS   7  -5.318  -0.780   3.158
   56    HG2  LYS   7           HG2      LYS   7  -8.285  -0.318   2.456
   57    HG3  LYS   7           HG3      LYS   7  -7.620  -1.351   3.701
   58    HD2  LYS   7           HD2      LYS   7  -6.677   0.687   4.916
   59    HD3  LYS   7           HD3      LYS   7  -7.362   1.717   3.668
   60    HE2  LYS   7           HE3      LYS   7  -8.891   1.823   5.505
   61    HE3  LYS   7           HE2      LYS   7  -9.704   0.880   4.259
   62    HZ2  LYS   7           HZ2      LYS   7  -9.076  -1.135   5.460
   63    HZ3  LYS   7           HZ3      LYS   7  -9.962  -0.133   6.400
   64    H    MET   8           H        MET   8  -5.155  -0.595  -0.602
   65    HA   MET   8           HA       MET   8  -2.299  -1.117  -0.321
   66    HB2  MET   8           HB2      MET   8  -4.008  -1.515  -2.746
   67    HB3  MET   8           HB3      MET   8  -2.340  -2.008  -2.614
   68    HG2  MET   8           HG3      MET   8  -4.759  -3.282  -1.239
   69    HG3  MET   8           HG2      MET   8  -3.452  -3.976  -2.194
   70    HE1  MET   8           HE1      MET   8  -2.857  -5.682   1.310
   71    HE2  MET   8           HE2      MET   8  -4.459  -5.193   0.686
   72    HE3  MET   8           HE3      MET   8  -3.258  -5.940  -0.414
   73    H    PHE   9           H        PHE   9  -3.852   1.752  -1.591
   74    HA   PHE   9           HA       PHE   9  -1.666   2.543  -3.440
   75    HB2  PHE   9           HB2      PHE   9  -3.779   4.313  -2.079
   76    HB3  PHE   9           HB3      PHE   9  -2.625   4.895  -3.246
   77    HD1  PHE   9           HD1      PHE   9  -2.649   2.944  -5.495
   78    HD2  PHE   9           HD2      PHE   9  -5.880   4.534  -3.132
   79    HE1  PHE   9           HE1      PHE   9  -4.177   2.704  -7.400
   80    HE2  PHE   9           HE2      PHE   9  -7.390   4.284  -5.052
   81    HZ   PHE   9           HZ       PHE   9  -6.543   3.386  -7.192
   82    H    LYS  10           H        LYS  10  -2.526   3.652  -0.186
   83    HA   LYS  10           HA       LYS  10   0.070   5.043   0.211
   84    HB2  LYS  10           HB2      LYS  10  -1.940   4.192   2.452
   85    HB3  LYS  10           HB3      LYS  10  -0.632   5.271   2.732
   86    HG2  LYS  10           HG3      LYS  10  -2.065   6.919   2.426
   87    HG3  LYS  10           HG2      LYS  10  -1.908   6.750   0.710
   88    HD2  LYS  10           HD3      LYS  10  -3.892   5.139   0.688
   89    HD3  LYS  10           HD2      LYS  10  -4.079   5.387   2.428
   90    HE2  LYS  10           HE3      LYS  10  -4.456   7.867   2.044
   91    HE3  LYS  10           HE2      LYS  10  -4.250   7.634   0.301
   92    HZ2  LYS  10           HZ2      LYS  10  -6.158   6.165   0.308
   93    HZ3  LYS  10           HZ3      LYS  10  -6.554   7.641   0.888
   94    H    THR  11           H        THR  11  -0.952   1.776   1.196
   95    HA   THR  11           HA       THR  11   1.335   1.193   2.851
   96    HB   THR  11           HB       THR  11  -0.431  -0.763   1.273
   97    HG1  THR  11           HG1      THR  11  -1.469  -0.919   3.274
   98   HG21  THR  11          HG21      THR  11   0.182  -2.444   3.021
   99   HG22  THR  11          HG22      THR  11   1.352  -1.305   3.738
  100   HG23  THR  11          HG23      THR  11   1.619  -1.951   2.097
  101    H    ASN  12           H        ASN  12   0.802   0.420  -0.585
  102    HA   ASN  12           HA       ASN  12   3.455  -0.612  -1.092
  103    HB2  ASN  12           HB2      ASN  12   1.298  -1.051  -2.476
  104    HB3  ASN  12           HB3      ASN  12   1.446   0.544  -3.155
  105   HD21  ASN  12          HD22      ASN  12   2.926  -2.660  -3.010
  106   HD22  ASN  12          HD21      ASN  12   3.906  -2.464  -4.549
  107    H    GLU  13           H        GLU  13   2.219   2.776  -1.445
  108    HA   GLU  13           HA       GLU  13   4.556   3.776  -2.830
  109    HB2  GLU  13           HB2      GLU  13   2.322   4.882  -2.896
  110    HB3  GLU  13           HB3      GLU  13   2.455   5.295  -1.196
  111    HG2  GLU  13           HG3      GLU  13   2.932   7.268  -2.532
  112    HG3  GLU  13           HG2      GLU  13   4.396   6.815  -1.685
  113    HE2  GLU  13           HE2      GLU  13   4.120   6.615  -5.730
  114    H    ASN  14           H        ASN  14   3.652   4.102   0.595
  115    HA   ASN  14           HA       ASN  14   6.163   5.302   1.418
  116    HB2  ASN  14           HB2      ASN  14   3.989   4.009   3.158
  117    HB3  ASN  14           HB3      ASN  14   5.400   4.802   3.816
  118   HD21  ASN  14          HD22      ASN  14   2.240   5.373   2.809
  119   HD22  ASN  14          HD21      ASN  14   2.334   7.205   2.823
  120    H    ASN  15           H        ASN  15   5.031   1.971   2.045
  121    HA   ASN  15           HA       ASN  15   7.648   1.117   3.069
  122    HB2  ASN  15           HB2      ASN  15   5.340   0.152   3.814
  123    HB3  ASN  15           HB3      ASN  15   5.279  -0.722   2.309
  124   HD21  ASN  15          HD22      ASN  15   6.382  -2.682   2.245
  125   HD22  ASN  15          HD21      ASN  15   7.424  -3.307   3.620
  126    H    ASP  16           H        ASP  16   5.923   0.118   0.089
  127    HA   ASP  16           HA       ASP  16   6.741  -0.739  -1.936
  128    HB2  ASP  16           HB2      ASP  16   7.608   1.666  -1.984
  129    HB3  ASP  16           HB3      ASP  16   9.167   1.060  -1.455
  130    HD2  ASP  16           HD2      ASP  16   9.341   2.395  -3.350
  131    H    LYS  17           H        LYS  17   6.914  -2.584  -0.255
  132    HA   LYS  17           HA       LYS  17   7.724  -4.649   0.239
  133    HB2  LYS  17           HB3      LYS  17   8.331  -4.756  -2.150
  134    HB3  LYS  17           HB2      LYS  17   9.901  -4.097  -1.786
  135    HG2  LYS  17           HG3      LYS  17  10.089  -6.500  -2.155
  136    HG3  LYS  17           HG2      LYS  17  10.475  -6.190  -0.467
  137    HD2  LYS  17           HD3      LYS  17   8.148  -6.895   0.211
  138    HD3  LYS  17           HD2      LYS  17   7.704  -7.119  -1.482
  139    HE2  LYS  17           HE2      LYS  17   9.483  -8.943  -1.695
  140    HE3  LYS  17           HE3      LYS  17   9.914  -8.712   0.006
  141    HZ2  LYS  17           HZ2      LYS  17   7.235  -9.524  -0.982
  142    HZ3  LYS  17           HZ3      LYS  17   7.622  -9.299   0.590
  143    H    SER  18           H        SER  18  10.306  -2.238   0.461
  144    HA   SER  18           HA       SER  18  11.088  -3.406   3.185
  145    HB2  SER  18           HB3      SER  18  12.923  -3.945   1.328
  146    HB3  SER  18           HB2      SER  18  13.134  -2.211   1.178
  147    HG   SER  18           HG       SER  18  14.556  -3.140   2.652
  148    H    GLU  19           H        GLU  19  12.252  -0.428   1.600
  149    HA   GLU  19           HA       GLU  19  10.334   1.305   3.058
  150    HB2  GLU  19           HB2      GLU  19  11.973   0.773   4.870
  151    HB3  GLU  19           HB3      GLU  19  13.330   1.269   3.862
  152    HG2  GLU  19           HG3      GLU  19  12.490   3.603   3.806
  153    HG3  GLU  19           HG2      GLU  19  11.028   3.138   4.681
  154    HE2  GLU  19           HE2      GLU  19  11.182   2.569   6.732
  155    H    LEU  20           H        LEU  20   9.840   1.976   1.045
  156    HA   LEU  20           HA       LEU  20  10.014   3.146  -1.216
  157    HB2  LEU  20           HB3      LEU  20  10.168   4.886   0.822
  158    HB3  LEU  20           HB2      LEU  20  11.869   4.877   0.485
  159    HG   LEU  20           HG       LEU  20  11.299   5.638  -1.946
  160   HD11  LEU  20          HD21      LEU  20   8.892   4.927  -2.051
  161   HD12  LEU  20          HD22      LEU  20   9.042   6.669  -2.323
  162   HD13  LEU  20          HD23      LEU  20   8.478   6.065  -0.746
  163   HD21  LEU  20          HD11      LEU  20  10.456   7.502   0.364
  164   HD22  LEU  20          HD12      LEU  20  12.120   7.231  -0.209
  165   HD23  LEU  20          HD13      LEU  20  10.936   8.008  -1.275
  166    H    ILE  21           H        ILE  21  11.542   0.881  -1.470
  167    HA   ILE  21           HA       ILE  21  14.070   1.767  -2.816
  168    HB   ILE  21           HB       ILE  21  14.421  -0.693  -3.033
  169   HG12  ILE  21          HG11      ILE  21  12.238  -1.157  -0.934
  170   HG13  ILE  21          HG12      ILE  21  11.965  -1.429  -2.642
  171   HG21  ILE  21          HG21      ILE  21  14.192   0.359  -0.145
  172   HG22  ILE  21          HG22      ILE  21  15.271  -0.941  -0.704
  173   HG23  ILE  21          HG23      ILE  21  15.521   0.715  -1.274
  174   HD11  ILE  21          HD11      ILE  21  13.790  -3.153  -2.730
  175   HD12  ILE  21          HD12      ILE  21  12.517  -3.560  -1.554
  176   HD13  ILE  21          HD13      ILE  21  14.078  -2.933  -0.983
  Start of MODEL    2
    1    H1   TYR   1           H        TYR   1 -15.199  -6.522  -2.565
    2    HA   TYR   1           HA       TYR   1 -13.190  -7.532  -0.501
    3    HB2  TYR   1           HB3      TYR   1 -12.388  -5.606  -2.781
    4    HB3  TYR   1           HB2      TYR   1 -11.417  -5.976  -1.360
    5    HD1  TYR   1           HD2      TYR   1 -10.561  -8.378  -0.979
    6    HD2  TYR   1           HD3      TYR   1 -12.297  -7.116  -4.710
    7    HE1  TYR   1           HE2      TYR   1  -9.507 -10.280  -2.122
    8    HE2  TYR   1           HE3      TYR   1 -11.238  -9.022  -5.839
    9    HH   TYR   1           HH       TYR   1  -9.945 -10.814  -5.621
   10    H    ASP   2           H        ASP   2 -13.270  -6.352   1.232
   11    HA   ASP   2           HA       ASP   2 -14.991  -3.857   1.337
   12    HB2  ASP   2           HB2      ASP   2 -15.319  -5.724   3.017
   13    HB3  ASP   2           HB3      ASP   2 -13.762  -5.343   3.742
   14    HD2  ASP   2           HD2      ASP   2 -14.962  -2.754   5.611
   15    H    ASN   3           H        ASN   3 -13.901  -2.116   0.677
   16    HA   ASN   3           HA       ASN   3 -12.509  -0.350   0.558
   17    HB2  ASN   3           HB2      ASN   3 -11.588   0.735   2.428
   18    HB3  ASN   3           HB3      ASN   3 -13.151   0.105   2.822
   19   HD21  ASN   3          HD21      ASN   3  -9.807   0.085   3.698
   20   HD22  ASN   3          HD22      ASN   3 -10.016  -0.960   5.192
   21    H    ILE   4           H        ILE   4 -11.576  -2.146  -0.917
   22    HA   ILE   4           HA       ILE   4  -8.808  -2.830  -0.508
   23    HB   ILE   4           HB       ILE   4 -10.263  -4.125  -1.942
   24   HG12  ILE   4          HG12      ILE   4  -7.785  -3.228  -3.520
   25   HG13  ILE   4          HG11      ILE   4  -7.697  -4.193  -2.058
   26   HG21  ILE   4          HG21      ILE   4 -10.813  -3.524  -4.269
   27   HG22  ILE   4          HG22      ILE   4  -9.979  -1.955  -4.112
   28   HG23  ILE   4          HG23      ILE   4 -11.461  -2.285  -3.179
   29   HD11  ILE   4          HD11      ILE   4  -9.031  -6.039  -3.120
   30   HD12  ILE   4          HD12      ILE   4  -7.549  -5.664  -4.027
   31   HD13  ILE   4          HD13      ILE   4  -9.122  -5.105  -4.637
   32    H    LEU   5           H        LEU   5 -10.216  -0.024  -2.128
   33    HA   LEU   5           HA       LEU   5  -7.637   1.015  -3.065
   34    HB2  LEU   5           HB3      LEU   5 -10.355   2.473  -2.788
   35    HB3  LEU   5           HB2      LEU   5  -8.962   3.222  -3.518
   36    HG   LEU   5           HG       LEU   5 -10.309   0.679  -4.617
   37   HD11  LEU   5          HD11      LEU   5 -11.825   2.658  -4.763
   38   HD12  LEU   5          HD12      LEU   5 -10.560   3.598  -5.593
   39   HD13  LEU   5          HD13      LEU   5 -11.273   2.164  -6.374
   40   HD21  LEU   5          HD21      LEU   5  -8.135   2.469  -5.905
   41   HD22  LEU   5          HD22      LEU   5  -8.982   1.125  -6.710
   42   HD23  LEU   5          HD23      LEU   5  -7.913   0.795  -5.339
   43    H    VAL   6           H        VAL   6  -9.629   1.809  -0.238
   44    HA   VAL   6           HA       VAL   6  -7.928   3.936   0.804
   45    HB   VAL   6           HB       VAL   6  -9.668   2.103   2.572
   46   HG11  VAL   6          HG21      VAL   6  -8.732   5.011   3.019
   47   HG12  VAL   6          HG22      VAL   6  -9.813   4.079   4.088
   48   HG13  VAL   6          HG23      VAL   6  -8.128   3.579   3.886
   49   HG21  VAL   6          HG11      VAL   6 -11.129   2.950   0.796
   50   HG22  VAL   6          HG12      VAL   6 -10.567   4.620   1.071
   51   HG23  VAL   6          HG13      VAL   6 -11.501   3.748   2.330
   52    H    LYS   7           H        LYS   7  -7.867   0.450   1.412
   53    HA   LYS   7           HA       LYS   7  -5.574   0.465   3.254
   54    HB2  LYS   7           HB2      LYS   7  -7.219  -1.377   3.267
   55    HB3  LYS   7           HB3      LYS   7  -6.843  -1.807   1.611
   56    HG2  LYS   7           HG1      LYS   7  -5.922  -3.436   3.165
   57    HG3  LYS   7           HG2      LYS   7  -4.631  -2.698   2.240
   58    HD2  LYS   7           HD3      LYS   7  -4.105  -1.186   4.238
   59    HD3  LYS   7           HD2      LYS   7  -5.404  -1.964   5.148
   60    HE2  LYS   7           HE3      LYS   7  -4.203  -4.201   4.935
   61    HE3  LYS   7           HE2      LYS   7  -2.912  -3.419   4.010
   62    HZ2  LYS   7           HZ2      LYS   7  -2.364  -3.646   6.340
   63    HZ3  LYS   7           HZ3      LYS   7  -3.671  -2.783   6.808
   64    H    MET   8           H        MET   8  -5.738  -0.170  -0.277
   65    HA   MET   8           HA       MET   8  -2.866  -0.650  -0.557
   66    HB2  MET   8           HB3      MET   8  -4.819  -0.090  -2.750
   67    HB3  MET   8           HB2      MET   8  -3.154  -0.566  -2.977
   68    HG2  MET   8           HG3      MET   8  -5.477  -2.314  -2.036
   69    HG3  MET   8           HG2      MET   8  -4.248  -2.569  -3.275
   70    HE1  MET   8           HE1      MET   8  -5.179  -4.731  -0.983
   71    HE2  MET   8           HE2      MET   8  -3.590  -5.473  -0.632
   72    HE3  MET   8           HE3      MET   8  -4.049  -5.108  -2.322
   73    H    PHE   9           H        PHE   9  -4.543   2.369  -0.315
   74    HA   PHE   9           HA       PHE   9  -2.671   4.006  -1.916
   75    HB2  PHE   9           HB3      PHE   9  -5.012   4.716  -1.438
   76    HB3  PHE   9           HB2      PHE   9  -4.684   4.803   0.272
   77    HD1  PHE   9           HD2      PHE   9  -3.867   6.363  -3.054
   78    HD2  PHE   9           HD1      PHE   9  -3.585   6.797   1.220
   79    HE1  PHE   9           HE2      PHE   9  -3.167   8.707  -3.326
   80    HE2  PHE   9           HE1      PHE   9  -2.883   9.136   0.927
   81    HZ   PHE   9           HZ       PHE   9  -2.672  10.096  -1.341
   82    H    LYS  10           H        LYS  10  -3.057   3.666   1.595
   83    HA   LYS  10           HA       LYS  10  -0.406   4.872   2.147
   84    HB2  LYS  10           HB3      LYS  10  -2.239   3.454   4.175
   85    HB3  LYS  10           HB2      LYS  10  -0.744   4.175   4.652
   86    HG2  LYS  10           HG3      LYS  10  -3.155   5.647   3.415
   87    HG3  LYS  10           HG2      LYS  10  -2.554   5.666   5.063
   88    HD2  LYS  10           HD3      LYS  10  -0.443   6.832   4.326
   89    HD3  LYS  10           HD2      LYS  10  -1.080   6.897   2.677
   90    HE2  LYS  10           HE2      LYS  10  -3.075   8.243   3.487
   91    HE3  LYS  10           HE3      LYS  10  -2.424   8.209   5.133
   92    HZ2  LYS  10           HZ2      LYS  10  -0.468   9.371   4.345
   93    HZ3  LYS  10           HZ3      LYS  10  -1.823  10.225   4.020
   94    H    THR  11           H        THR  11  -1.378   1.454   1.886
   95    HA   THR  11           HA       THR  11   1.013   0.321   3.046
   96    HB   THR  11           HB       THR  11  -0.913  -0.908   0.996
   97    HG1  THR  11           HG1      THR  11  -0.731  -1.087   3.820
   98   HG21  THR  11          HG21      THR  11   1.179  -2.289   1.092
   99   HG22  THR  11          HG22      THR  11  -0.173  -3.126   1.888
  100   HG23  THR  11          HG23      THR  11   1.085  -2.333   2.874
  101    H    ASN  12           H        ASN  12   0.219   0.937  -0.372
  102    HA   ASN  12           HA       ASN  12   2.849   0.243  -1.375
  103    HB2  ASN  12           HB2      ASN  12   0.610   0.235  -2.704
  104    HB3  ASN  12           HB3      ASN  12   0.718   1.967  -2.833
  105   HD21  ASN  12          HD21      ASN  12   2.274   2.816  -4.332
  106   HD22  ASN  12          HD22      ASN  12   3.168   1.730  -5.509
  107    H    GLU  13           H        GLU  13   1.452   3.478  -0.516
  108    HA   GLU  13           HA       GLU  13   3.692   4.996  -1.529
  109    HB2  GLU  13           HB3      GLU  13   1.370   5.899  -1.156
  110    HB3  GLU  13           HB2      GLU  13   1.614   5.811   0.579
  111    HG2  GLU  13           HG2      GLU  13   1.862   8.111  -0.205
  112    HG3  GLU  13           HG3      GLU  13   3.392   7.567   0.450
  113    HE2  GLU  13           HE2      GLU  13   5.143   8.217  -2.413
  114    H    ASN  14           H        ASN  14   3.162   3.665   1.711
  115    HA   ASN  14           HA       ASN  14   5.678   4.848   2.735
  116    HB2  ASN  14           HB2      ASN  14   3.622   3.081   4.156
  117    HB3  ASN  14           HB3      ASN  14   5.097   3.641   4.903
  118   HD21  ASN  14          HD22      ASN  14   1.879   4.521   4.253
  119   HD22  ASN  14          HD21      ASN  14   2.013   6.249   4.856
  120    H    ASN  15           H        ASN  15   4.565   1.456   2.671
  121    HA   ASN  15           HA       ASN  15   7.257   0.418   3.030
  122    HB2  ASN  15           HB2      ASN  15   5.009  -0.657   3.834
  123    HB3  ASN  15           HB3      ASN  15   4.751  -1.195   2.201
  124   HD21  ASN  15          HD22      ASN  15   6.806  -1.559   5.048
  125   HD22  ASN  15          HD21      ASN  15   7.485  -3.190   4.555
  126    H    ASP  16           H        ASP  16   5.476   0.935   0.035
  127    HA   ASP  16           HA       ASP  16   7.522  -0.634  -1.500
  128    HB2  ASP  16           HB2      ASP  16   5.126  -1.611  -1.593
  129    HB3  ASP  16           HB3      ASP  16   4.654  -0.167  -2.465
  130    HD2  ASP  16           HD2      ASP  16   6.892  -3.080  -4.177
  131    H    LYS  17           H        LYS  17   8.117   1.834  -0.689
  132    HA   LYS  17           HA       LYS  17   8.400   3.278  -3.282
  133    HB2  LYS  17           HB2      LYS  17   6.709   4.183  -1.227
  134    HB3  LYS  17           HB3      LYS  17   8.162   5.058  -0.847
  135    HG2  LYS  17           HG3      LYS  17   6.920   6.507  -2.227
  136    HG3  LYS  17           HG2      LYS  17   8.169   5.907  -3.314
  137    HD2  LYS  17           HD2      LYS  17   6.528   4.220  -4.259
  138    HD3  LYS  17           HD3      LYS  17   5.307   4.743  -3.103
  139    HE2  LYS  17           HE3      LYS  17   5.347   7.086  -4.147
  140    HE3  LYS  17           HE2      LYS  17   6.539   6.520  -5.326
  141    HZ2  LYS  17           HZ2      LYS  17   4.934   4.907  -6.117
  142    HZ3  LYS  17           HZ3      LYS  17   4.334   6.424  -6.223
  143    H    SER  18           H        SER  18   9.686   3.491   0.010
  144    HA   SER  18           HA       SER  18  12.411   4.256  -1.040
  145    HB2  SER  18           HB3      SER  18  11.433   5.255   1.227
  146    HB3  SER  18           HB2      SER  18  11.707   3.665   1.920
  147    HG   SER  18           HG       SER  18  13.436   5.076   2.209
  148    H    GLU  19           H        GLU  19  11.334   1.480   0.959
  149    HA   GLU  19           HA       GLU  19  13.514  -0.213  -0.332
  150    HB2  GLU  19           HB2      GLU  19  14.238   0.404   1.967
  151    HB3  GLU  19           HB3      GLU  19  12.737  -0.202   2.665
  152    HG2  GLU  19           HG2      GLU  19  13.274  -2.522   1.892
  153    HG3  GLU  19           HG3      GLU  19  14.737  -1.940   1.096
  154    HE2  GLU  19           HE2      GLU  19  13.136  -2.459   4.018
  155    H    LEU  20           H        LEU  20  11.858  -0.727  -1.784
  156    HA   LEU  20           HA       LEU  20   9.349  -1.871  -1.281
  157    HB2  LEU  20           HB3      LEU  20  11.187  -2.564  -3.671
  158    HB3  LEU  20           HB2      LEU  20   9.509  -2.966  -3.485
  159    HG   LEU  20           HG       LEU  20   8.900  -0.508  -3.356
  160   HD11  LEU  20          HD21      LEU  20  10.497   1.134  -4.461
  161   HD12  LEU  20          HD22      LEU  20  11.800  -0.074  -4.345
  162   HD13  LEU  20          HD23      LEU  20  11.063   0.617  -2.877
  163   HD21  LEU  20          HD11      LEU  20  10.178  -1.516  -5.977
  164   HD22  LEU  20          HD12      LEU  20   8.947  -0.235  -5.830
  165   HD23  LEU  20          HD13      LEU  20   8.540  -1.903  -5.397
  166    H    ILE  21           H        ILE  21  12.295  -3.795  -1.785
  167    HA   ILE  21           HA       ILE  21  10.906  -6.231  -0.514
  168    HB   ILE  21           HB       ILE  21  13.381  -6.297  -2.323
  169   HG12  ILE  21          HG12      ILE  21  10.540  -7.341  -2.950
  170   HG13  ILE  21          HG11      ILE  21  11.140  -5.798  -3.520
  171   HG21  ILE  21          HG21      ILE  21  13.160  -8.793  -2.196
  172   HG22  ILE  21          HG22      ILE  21  13.413  -8.123  -0.586
  173   HG23  ILE  21          HG23      ILE  21  11.783  -8.638  -1.076
  174   HD11  ILE  21          HD11      ILE  21  11.374  -7.407  -5.326
  175   HD12  ILE  21          HD12      ILE  21  12.332  -8.516  -4.324
  176   HD13  ILE  21          HD13      ILE  21  13.004  -6.931  -4.794
  Start of MODEL    3
    1    H1   TYR   1           H        TYR   1 -12.565  -6.951   3.265
    2    HA   TYR   1           HA       TYR   1 -15.078  -5.785   1.926
    3    HB2  TYR   1           HB3      TYR   1 -13.131  -4.247   3.762
    4    HB3  TYR   1           HB2      TYR   1 -14.305  -3.491   2.693
    5    HD1  TYR   1           HD3      TYR   1 -16.799  -3.773   3.095
    6    HD2  TYR   1           HD2      TYR   1 -13.891  -5.236   5.911
    7    HE1  TYR   1           HE3      TYR   1 -18.540  -3.934   4.821
    8    HE2  TYR   1           HE2      TYR   1 -15.641  -5.393   7.626
    9    HH   TYR   1           HH       TYR   1 -19.015  -4.477   6.922
   10    H    ASP   2           H        ASP   2 -14.603  -5.738  -0.112
   11    HA   ASP   2           HA       ASP   2 -11.751  -5.439  -1.127
   12    HB2  ASP   2           HB3      ASP   2 -13.284  -7.245  -2.061
   13    HB3  ASP   2           HB2      ASP   2 -14.260  -6.004  -2.833
   14    HD2  ASP   2           HD2      ASP   2 -12.044  -5.399  -5.399
   15    H    ASN   3           H        ASN   3 -11.013  -3.408  -1.494
   16    HA   ASN   3           HA       ASN   3 -12.538  -1.356  -2.841
   17    HB2  ASN   3           HB3      ASN   3 -11.685  -0.729   0.077
   18    HB3  ASN   3           HB2      ASN   3 -12.082   0.483  -1.120
   19   HD21  ASN   3          HD22      ASN   3 -13.399  -1.505   1.284
   20   HD22  ASN   3          HD21      ASN   3 -15.161  -1.142   0.924
   21    H    ILE   4           H        ILE   4 -10.972  -1.274  -4.293
   22    HA   ILE   4           HA       ILE   4  -8.212  -1.766  -3.968
   23    HB   ILE   4           HB       ILE   4  -9.419  -1.815  -6.116
   24   HG12  ILE   4          HG12      ILE   4  -7.609  -0.999  -7.632
   25   HG13  ILE   4          HG11      ILE   4  -6.826  -0.171  -6.299
   26   HG21  ILE   4          HG21      ILE   4  -9.729   0.183  -7.526
   27   HG22  ILE   4          HG22      ILE   4  -9.086   1.244  -6.244
   28   HG23  ILE   4          HG23      ILE   4 -10.625   0.380  -6.006
   29   HD11  ILE   4          HD11      ILE   4  -7.272  -3.234  -6.484
   30   HD12  ILE   4          HD12      ILE   4  -5.752  -2.377  -6.835
   31   HD13  ILE   4          HD13      ILE   4  -6.386  -2.403  -5.177
   32    H    LEU   5           H        LEU   5  -9.692   1.243  -3.147
   33    HA   LEU   5           HA       LEU   5  -7.145   2.773  -3.187
   34    HB2  LEU   5           HB2      LEU   5  -9.951   3.653  -2.227
   35    HB3  LEU   5           HB3      LEU   5  -8.566   4.708  -2.163
   36    HG   LEU   5           HG       LEU   5  -9.716   3.537  -4.771
   37   HD11  LEU   5          HD21      LEU   5 -10.044   6.369  -3.584
   38   HD12  LEU   5          HD22      LEU   5 -11.311   5.120  -3.679
   39   HD13  LEU   5          HD23      LEU   5 -10.645   5.818  -5.168
   40   HD21  LEU   5          HD11      LEU   5  -8.294   5.259  -5.938
   41   HD22  LEU   5          HD12      LEU   5  -7.293   4.093  -5.062
   42   HD23  LEU   5          HD13      LEU   5  -7.554   5.720  -4.385
   43    H    VAL   6           H        VAL   6  -9.346   1.509  -0.711
   44    HA   VAL   6           HA       VAL   6  -7.804   2.384   1.605
   45    HB   VAL   6           HB       VAL   6  -9.595  -0.130   1.565
   46   HG11  VAL   6          HG11      VAL   6  -9.914   0.333   3.999
   47   HG12  VAL   6          HG12      VAL   6  -8.203   0.053   3.645
   48   HG13  VAL   6          HG13      VAL   6  -8.788   1.712   3.911
   49   HG21  VAL   6          HG21      VAL   6 -10.936   1.748   0.709
   50   HG22  VAL   6          HG22      VAL   6 -10.463   2.763   2.094
   51   HG23  VAL   6          HG23      VAL   6 -11.460   1.291   2.335
   52    H    LYS   7           H        LYS   7  -7.632  -0.623  -0.243
   53    HA   LYS   7           HA       LYS   7  -5.428  -1.850   1.319
   54    HB2  LYS   7           HB3      LYS   7  -6.221  -2.521  -1.585
   55    HB3  LYS   7           HB2      LYS   7  -5.201  -3.492  -0.549
   56    HG2  LYS   7           HG3      LYS   7  -8.238  -3.056  -0.238
   57    HG3  LYS   7           HG2      LYS   7  -7.404  -4.489  -0.791
   58    HD2  LYS   7           HD2      LYS   7  -6.340  -4.812   1.467
   59    HD3  LYS   7           HD3      LYS   7  -7.138  -3.351   2.063
   60    HE2  LYS   7           HE2      LYS   7  -9.404  -4.379   1.620
   61    HE3  LYS   7           HE3      LYS   7  -8.632  -5.851   1.009
   62    HZ2  LYS   7           HZ2      LYS   7  -7.629  -6.180   3.172
   63    HZ3  LYS   7           HZ3      LYS   7  -9.258  -6.099   3.293
   64    H    MET   8           H        MET   8  -5.366   0.032  -1.736
   65    HA   MET   8           HA       MET   8  -2.453  -0.161  -2.013
   66    HB2  MET   8           HB3      MET   8  -4.312   1.686  -3.451
   67    HB3  MET   8           HB2      MET   8  -2.608   1.518  -3.791
   68    HG2  MET   8           HG2      MET   8  -4.837  -0.464  -4.439
   69    HG3  MET   8           HG3      MET   8  -3.538   0.182  -5.432
   70    HE1  MET   8           HE1      MET   8  -0.403  -1.965  -4.586
   71    HE2  MET   8           HE2      MET   8  -1.170  -0.848  -5.754
   72    HE3  MET   8           HE3      MET   8  -0.751  -0.279  -4.107
   73    H    PHE   9           H        PHE   9  -4.309   1.946   0.021
   74    HA   PHE   9           HA       PHE   9  -2.426   4.220   0.043
   75    HB2  PHE   9           HB2      PHE   9  -4.816   4.444   0.741
   76    HB3  PHE   9           HB3      PHE   9  -4.544   3.415   2.124
   77    HD1  PHE   9           HD2      PHE   9  -3.732   6.754   0.614
   78    HD2  PHE   9           HD1      PHE   9  -3.404   4.318   4.148
   79    HE1  PHE   9           HE2      PHE   9  -3.018   8.717   1.916
   80    HE2  PHE   9           HE1      PHE   9  -2.685   6.290   5.429
   81    HZ   PHE   9           HZ       PHE   9  -2.491   8.490   4.320
   82    H    LYS  10           H        LYS  10  -2.982   1.712   2.506
   83    HA   LYS  10           HA       LYS  10  -0.417   2.216   3.848
   84    HB2  LYS  10           HB2      LYS  10  -2.168  -0.373   4.061
   85    HB3  LYS  10           HB3      LYS  10  -0.842  -0.074   5.132
   86    HG2  LYS  10           HG3      LYS  10  -1.960   1.948   6.107
   87    HG3  LYS  10           HG2      LYS  10  -3.297   1.789   4.964
   88    HD2  LYS  10           HD3      LYS  10  -3.859  -0.474   5.916
   89    HD3  LYS  10           HD2      LYS  10  -2.503  -0.345   7.044
   90    HE2  LYS  10           HE3      LYS  10  -3.570   1.718   8.089
   91    HE3  LYS  10           HE2      LYS  10  -4.930   1.583   6.964
   92    HZ2  LYS  10           HZ2      LYS  10  -5.439  -0.579   7.893
   93    HZ3  LYS  10           HZ3      LYS  10  -5.448   0.570   9.056
   94    H    THR  11           H        THR  11  -1.107  -0.116   1.258
   95    HA   THR  11           HA       THR  11   1.352  -1.613   1.486
   96    HB   THR  11           HB       THR  11  -0.405  -1.172  -0.994
   97    HG1  THR  11           HG1      THR  11  -0.320  -3.228   0.954
   98   HG21  THR  11          HG21      THR  11   1.636  -3.421  -0.426
   99   HG22  THR  11          HG22      THR  11   1.797  -2.161  -1.679
  100   HG23  THR  11          HG23      THR  11   0.493  -3.364  -1.795
  101    H    ASN  12           H        ASN  12   0.558   1.040  -0.756
  102    HA   ASN  12           HA       ASN  12   3.254   1.452  -1.706
  103    HB2  ASN  12           HB3      ASN  12   1.004   2.133  -2.849
  104    HB3  ASN  12           HB2      ASN  12   0.924   3.496  -1.774
  105   HD21  ASN  12          HD22      ASN  12   2.502   2.146  -4.573
  106   HD22  ASN  12          HD21      ASN  12   3.420   3.667  -5.031
  107    H    GLU  13           H        GLU  13   1.523   3.098   1.014
  108    HA   GLU  13           HA       GLU  13   3.528   5.128   1.472
  109    HB2  GLU  13           HB3      GLU  13   1.143   5.244   2.195
  110    HB3  GLU  13           HB2      GLU  13   1.428   3.994   3.405
  111    HG2  GLU  13           HG2      GLU  13   3.013   5.550   4.619
  112    HG3  GLU  13           HG3      GLU  13   2.826   6.754   3.346
  113    HE2  GLU  13           HE2      GLU  13   1.205   4.940   5.727
  114    H    ASN  14           H        ASN  14   3.153   1.927   2.978
  115    HA   ASN  14           HA       ASN  14   5.542   2.262   4.661
  116    HB2  ASN  14           HB2      ASN  14   3.492   1.080   5.452
  117    HB3  ASN  14           HB3      ASN  14   3.751  -0.200   4.289
  118   HD21  ASN  14          HD22      ASN  14   5.168  -1.851   4.896
  119   HD22  ASN  14          HD21      ASN  14   6.084  -1.861   6.485
  120    H    ASN  15           H        ASN  15   4.787  -0.211   2.206
  121    HA   ASN  15           HA       ASN  15   7.542  -1.100   1.961
  122    HB2  ASN  15           HB2      ASN  15   5.152  -1.745   0.089
  123    HB3  ASN  15           HB3      ASN  15   6.697  -2.518  -0.019
  124   HD21  ASN  15          HD22      ASN  15   3.707  -2.549   1.642
  125   HD22  ASN  15          HD21      ASN  15   4.116  -3.946   2.760
  126    H    ASP  16           H        ASP  16   5.813   1.277   0.019
  127    HA   ASP  16           HA       ASP  16   8.043   1.325  -1.979
  128    HB2  ASP  16           HB3      ASP  16   5.741   0.622  -2.929
  129    HB3  ASP  16           HB2      ASP  16   5.193   2.255  -2.619
  130    HD2  ASP  16           HD2      ASP  16   5.867   3.794  -3.851
  131    H    LYS  17           H        LYS  17   8.420   2.477   0.389
  132    HA   LYS  17           HA       LYS  17   8.838   5.325  -0.358
  133    HB2  LYS  17           HB2      LYS  17   6.818   5.184   1.087
  134    HB3  LYS  17           HB3      LYS  17   7.703   4.326   2.335
  135    HG2  LYS  17           HG2      LYS  17   8.373   7.207   1.426
  136    HG3  LYS  17           HG3      LYS  17   7.217   6.810   2.693
  137    HD2  LYS  17           HD3      LYS  17   9.076   5.517   3.916
  138    HD3  LYS  17           HD2      LYS  17  10.217   6.155   2.733
  139    HE2  LYS  17           HE3      LYS  17   9.619   8.533   3.398
  140    HE3  LYS  17           HE2      LYS  17   8.472   7.910   4.595
  141    HZ2  LYS  17           HZ2      LYS  17  11.397   7.412   4.574
  142    HZ3  LYS  17           HZ3      LYS  17  10.609   8.449   5.561
  143    H    SER  18           H        SER  18   9.603   3.135   2.327
  144    HA   SER  18           HA       SER  18  12.486   3.923   2.326
  145    HB2  SER  18           HB2      SER  18  11.241   3.070   4.522
  146    HB3  SER  18           HB3      SER  18  11.288   1.466   3.801
  147    HG   SER  18           HG       SER  18  13.028   1.895   5.165
  148    H    GLU  19           H        GLU  19  10.854   0.950   1.194
  149    HA   GLU  19           HA       GLU  19  13.402   0.097  -0.255
  150    HB2  GLU  19           HB2      GLU  19  12.477  -1.425   1.627
  151    HB3  GLU  19           HB3      GLU  19  11.036  -1.690   0.644
  152    HG2  GLU  19           HG2      GLU  19  12.461  -2.703  -1.173
  153    HG3  GLU  19           HG3      GLU  19  13.899  -2.435  -0.186
  154    HE2  GLU  19           HE2      GLU  19  14.136  -3.545   1.606
  155    H    LEU  20           H        LEU  20  11.114  -1.467  -1.434
  156    HA   LEU  20           HA       LEU  20   9.740   0.451  -3.299
  157    HB2  LEU  20           HB3      LEU  20  12.193  -0.114  -4.335
  158    HB3  LEU  20           HB2      LEU  20  11.484  -1.651  -4.724
  159    HG   LEU  20           HG       LEU  20   9.620  -0.352  -6.010
  160   HD11  LEU  20          HD11      LEU  20  10.155   1.990  -6.734
  161   HD12  LEU  20          HD12      LEU  20  11.584   2.023  -5.671
  162   HD13  LEU  20          HD13      LEU  20   9.951   1.935  -4.977
  163   HD21  LEU  20          HD21      LEU  20  11.521  -1.510  -7.175
  164   HD22  LEU  20          HD22      LEU  20  12.531  -0.055  -7.011
  165   HD23  LEU  20          HD23      LEU  20  11.064  -0.020  -8.020
  166    H    ILE  21           H        ILE  21  10.422  -3.036  -3.619
  167    HA   ILE  21           HA       ILE  21   7.439  -3.599  -3.086
  168    HB   ILE  21           HB       ILE  21   9.244  -5.313  -4.894
  169   HG12  ILE  21          HG12      ILE  21   7.250  -4.527  -6.616
  170   HG13  ILE  21          HG11      ILE  21   7.242  -3.103  -5.600
  171   HG21  ILE  21          HG21      ILE  21   7.151  -6.557  -5.435
  172   HG22  ILE  21          HG22      ILE  21   6.229  -5.556  -4.285
  173   HG23  ILE  21          HG23      ILE  21   7.506  -6.653  -3.707
  174   HD11  ILE  21          HD11      ILE  21   9.656  -4.258  -7.170
  175   HD12  ILE  21          HD12      ILE  21   8.719  -2.801  -7.580
  176   HD13  ILE  21          HD13      ILE  21   9.754  -2.815  -6.136
  Start of MODEL    4
    1    H1   TYR   1           H        TYR   1 -14.306  -4.898   3.714
    2    HA   TYR   1           HA       TYR   1 -15.967  -3.851   1.477
    3    HB2  TYR   1           HB2      TYR   1 -15.940  -1.367   2.334
    4    HB3  TYR   1           HB3      TYR   1 -17.020  -2.464   3.178
    5    HD1  TYR   1           HD3      TYR   1 -16.587  -3.048   5.583
    6    HD2  TYR   1           HD2      TYR   1 -13.946  -0.402   3.452
    7    HE1  TYR   1           HE3      TYR   1 -15.607  -2.301   7.709
    8    HE2  TYR   1           HE2      TYR   1 -12.969   0.330   5.583
    9    HH   TYR   1           HH       TYR   1 -12.997   0.126   7.795
   10    H    ASP   2           H        ASP   2 -14.754  -3.107  -0.100
   11    HA   ASP   2           HA       ASP   2 -11.981  -2.033   0.340
   12    HB2  ASP   2           HB3      ASP   2 -11.702  -4.579   0.197
   13    HB3  ASP   2           HB2      ASP   2 -12.345  -4.540  -1.432
   14    HD2  ASP   2           HD2      ASP   2  -8.543  -3.566  -0.597
   15    H    ASN   3           H        ASN   3 -11.915  -0.255  -0.892
   16    HA   ASN   3           HA       ASN   3 -12.783  -0.210  -3.661
   17    HB2  ASN   3           HB2      ASN   3 -14.487   1.540  -3.636
   18    HB3  ASN   3           HB3      ASN   3 -15.011   0.067  -2.875
   19   HD21  ASN   3          HD21      ASN   3 -14.723   3.458  -2.424
   20   HD22  ASN   3          HD22      ASN   3 -15.317   3.467  -0.691
   21    H    ILE   4           H        ILE   4 -10.892   0.418  -4.193
   22    HA   ILE   4           HA       ILE   4  -9.035   1.526  -4.685
   23    HB   ILE   4           HB       ILE   4 -10.848   2.952  -5.563
   24   HG12  ILE   4          HG11      ILE   4  -8.629   2.905  -6.550
   25   HG13  ILE   4          HG12      ILE   4  -9.406   4.457  -6.709
   26   HG21  ILE   4          HG21      ILE   4 -10.915   5.372  -4.960
   27   HG22  ILE   4          HG22      ILE   4 -11.544   4.344  -3.670
   28   HG23  ILE   4          HG23      ILE   4  -9.916   5.053  -3.521
   29   HD11  ILE   4          HD11      ILE   4  -7.029   4.811  -6.282
   30   HD12  ILE   4          HD12      ILE   4  -7.054   3.822  -4.813
   31   HD13  ILE   4          HD13      ILE   4  -7.904   5.390  -4.848
   32    H    LEU   5           H        LEU   5 -10.099   3.043  -1.744
   33    HA   LEU   5           HA       LEU   5  -7.329   3.753  -0.966
   34    HB2  LEU   5           HB2      LEU   5  -9.343   5.313  -0.509
   35    HB3  LEU   5           HB3      LEU   5  -9.947   4.147   0.638
   36    HG   LEU   5           HG       LEU   5  -7.898   4.505   2.085
   37   HD11  LEU   5          HD11      LEU   5  -7.168   6.744   0.077
   38   HD12  LEU   5          HD12      LEU   5  -6.404   6.485   1.666
   39   HD13  LEU   5          HD13      LEU   5  -6.220   5.269   0.393
   40   HD21  LEU   5          HD21      LEU   5  -8.592   6.743   2.931
   41   HD22  LEU   5          HD22      LEU   5 -10.010   5.763   2.512
   42   HD23  LEU   5          HD23      LEU   5  -9.482   7.069   1.422
   43    H    VAL   6           H        VAL   6  -9.634   1.300   0.136
   44    HA   VAL   6           HA       VAL   6  -8.094   0.440   2.477
   45    HB   VAL   6           HB       VAL   6 -10.000  -1.387   0.897
   46   HG11  VAL   6          HG11      VAL   6  -8.610  -2.635   2.567
   47   HG12  VAL   6          HG12      VAL   6 -10.306  -2.578   3.064
   48   HG13  VAL   6          HG13      VAL   6  -9.115  -1.510   3.850
   49   HG21  VAL   6          HG21      VAL   6 -11.257   0.633   1.448
   50   HG22  VAL   6          HG22      VAL   6 -11.784  -0.710   2.468
   51   HG23  VAL   6          HG23      VAL   6 -10.717   0.559   3.148
   52    H    LYS   7           H        LYS   7  -8.050  -0.781  -0.844
   53    HA   LYS   7           HA       LYS   7  -5.783  -2.643  -0.330
   54    HB2  LYS   7           HB3      LYS   7  -5.706  -3.098  -2.760
   55    HB3  LYS   7           HB2      LYS   7  -7.245  -3.414  -1.999
   56    HG2  LYS   7           HG3      LYS   7  -8.242  -1.368  -2.952
   57    HG3  LYS   7           HG2      LYS   7  -6.700  -0.867  -3.657
   58    HD2  LYS   7           HD2      LYS   7  -6.661  -2.867  -5.128
   59    HD3  LYS   7           HD3      LYS   7  -8.120  -3.516  -4.398
   60    HE2  LYS   7           HE3      LYS   7  -8.015  -0.815  -5.920
   61    HE3  LYS   7           HE2      LYS   7  -8.411  -2.359  -6.673
   62    HZ2  LYS   7           HZ2      LYS   7 -10.286  -2.577  -5.149
   63    HZ3  LYS   7           HZ3      LYS   7  -9.938  -1.146  -4.440
   64    H    MET   8           H        MET   8  -5.887   0.615  -1.827
   65    HA   MET   8           HA       MET   8  -3.036   0.563  -2.500
   66    HB2  MET   8           HB2      MET   8  -4.822   2.956  -2.550
   67    HB3  MET   8           HB3      MET   8  -3.192   2.880  -3.164
   68    HG2  MET   8           HG2      MET   8  -5.700   1.657  -4.396
   69    HG3  MET   8           HG3      MET   8  -4.410   2.634  -5.102
   70    HE1  MET   8           HE1      MET   8  -4.214  -0.857  -7.027
   71    HE2  MET   8           HE2      MET   8  -5.700  -0.143  -6.334
   72    HE3  MET   8           HE3      MET   8  -4.528   0.895  -7.205
   73    H    PHE   9           H        PHE   9  -4.573   1.358   0.521
   74    HA   PHE   9           HA       PHE   9  -2.523   3.252   1.505
   75    HB2  PHE   9           HB2      PHE   9  -4.825   3.215   2.422
   76    HB3  PHE   9           HB3      PHE   9  -4.624   1.584   3.009
   77    HD1  PHE   9           HD1      PHE   9  -3.490   5.139   3.473
   78    HD2  PHE   9           HD2      PHE   9  -3.466   1.175   5.151
   79    HE1  PHE   9           HE1      PHE   9  -2.637   6.033   5.602
   80    HE2  PHE   9           HE2      PHE   9  -2.610   2.086   7.268
   81    HZ   PHE   9           HZ       PHE   9  -2.193   4.513   7.500
   82    H    LYS  10           H        LYS  10  -3.120  -0.162   2.260
   83    HA   LYS  10           HA       LYS  10  -0.480  -0.504   3.548
   84    HB2  LYS  10           HB2      LYS  10  -2.439  -2.743   2.751
   85    HB3  LYS  10           HB3      LYS  10  -0.965  -3.084   3.579
   86    HG2  LYS  10           HG3      LYS  10  -3.259  -1.330   4.660
   87    HG3  LYS  10           HG2      LYS  10  -2.782  -2.954   5.116
   88    HD2  LYS  10           HD2      LYS  10  -0.577  -2.077   6.035
   89    HD3  LYS  10           HD3      LYS  10  -1.111  -0.448   5.649
   90    HE2  LYS  10           HE3      LYS  10  -1.540  -0.714   7.976
   91    HE3  LYS  10           HE2      LYS  10  -3.118  -0.722   7.193
   92    HZ2  LYS  10           HZ2      LYS  10  -3.075  -3.168   7.337
   93    HZ3  LYS  10           HZ3      LYS  10  -1.612  -3.136   8.066
   94    H    THR  11           H        THR  11  -1.479  -1.152   0.193
   95    HA   THR  11           HA       THR  11   0.867  -2.680  -0.548
   96    HB   THR  11           HB       THR  11  -1.025  -1.052  -2.332
   97    HG1  THR  11           HG1      THR  11  -1.917  -3.099  -2.662
   98   HG21  THR  11          HG21      THR  11   0.933  -3.310  -3.121
   99   HG22  THR  11          HG22      THR  11   1.061  -1.600  -3.615
  100   HG23  THR  11          HG23      THR  11  -0.308  -2.584  -4.178
  101    H    ASN  12           H        ASN  12   0.131   0.768  -1.083
  102    HA   ASN  12           HA       ASN  12   2.760   1.506  -2.016
  103    HB2  ASN  12           HB3      ASN  12   0.523   2.802  -2.355
  104    HB3  ASN  12           HB2      ASN  12   0.658   3.382  -0.721
  105   HD21  ASN  12          HD22      ASN  12   2.119   3.501  -3.939
  106   HD22  ASN  12          HD21      ASN  12   3.036   5.064  -3.651
  107    H    GLU  13           H        GLU  13   1.520   1.448   1.376
  108    HA   GLU  13           HA       GLU  13   3.769   2.882   2.512
  109    HB2  GLU  13           HB2      GLU  13   1.504   2.684   3.544
  110    HB3  GLU  13           HB3      GLU  13   1.787   0.992   3.908
  111    HG2  GLU  13           HG3      GLU  13   3.496   3.338   5.002
  112    HG3  GLU  13           HG2      GLU  13   2.063   2.725   5.800
  113    HE2  GLU  13           HE2      GLU  13   5.235   2.500   5.538
  114    H    ASN  14           H        ASN  14   3.061  -0.613   2.507
  115    HA   ASN  14           HA       ASN  14   5.636  -1.383   3.586
  116    HB2  ASN  14           HB2      ASN  14   3.506  -2.700   3.844
  117    HB3  ASN  14           HB3      ASN  14   3.577  -3.150   2.157
  118   HD21  ASN  14          HD22      ASN  14   5.142  -3.560   5.300
  119   HD22  ASN  14          HD21      ASN  14   6.016  -5.109   4.848
  120    H    ASN  15           H        ASN  15   4.432  -1.970   0.281
  121    HA   ASN  15           HA       ASN  15   7.063  -2.731  -0.714
  122    HB2  ASN  15           HB2      ASN  15   4.490  -2.160  -2.343
  123    HB3  ASN  15           HB3      ASN  15   5.930  -2.822  -3.039
  124   HD21  ASN  15          HD21      ASN  15   6.621  -4.984  -2.360
  125   HD22  ASN  15          HD22      ASN  15   5.352  -6.151  -1.732
  126    H    ASP  16           H        ASP  16   5.424   0.402  -0.891
  127    HA   ASP  16           HA       ASP  16   7.757   1.447  -2.485
  128    HB2  ASP  16           HB2      ASP  16   4.832   2.323  -2.873
  129    HB3  ASP  16           HB3      ASP  16   6.200   3.153  -3.581
  130    HD2  ASP  16           HD2      ASP  16   7.549   2.034  -4.903
  131    H    LYS  17           H        LYS  17   7.788   1.411   0.243
  132    HA   LYS  17           HA       LYS  17   8.621   4.132   0.734
  133    HB2  LYS  17           HB3      LYS  17   5.938   3.664   1.544
  134    HB3  LYS  17           HB2      LYS  17   6.816   3.375   3.018
  135    HG2  LYS  17           HG3      LYS  17   6.162   5.671   3.027
  136    HG3  LYS  17           HG2      LYS  17   7.906   5.686   2.777
  137    HD2  LYS  17           HD2      LYS  17   7.577   6.004   0.312
  138    HD3  LYS  17           HD3      LYS  17   5.843   5.851   0.472
  139    HE2  LYS  17           HE3      LYS  17   7.535   8.121   1.761
  140    HE3  LYS  17           HE2      LYS  17   6.727   8.247   0.200
  141    HZ2  LYS  17           HZ2      LYS  17   5.334   7.760   2.771
  142    HZ3  LYS  17           HZ3      LYS  17   4.603   7.879   1.314
  143    H    SER  18           H        SER  18   7.862   1.109   2.412
  144    HA   SER  18           HA       SER  18  10.295   1.288   4.158
  145    HB2  SER  18           HB3      SER  18   8.097  -0.018   4.911
  146    HB3  SER  18           HB2      SER  18   8.552  -1.245   3.738
  147    HG   SER  18           HG       SER  18   9.315  -1.659   5.814
  148    H    GLU  19           H        GLU  19   9.494  -0.890   1.425
  149    HA   GLU  19           HA       GLU  19  12.497  -1.263   0.966
  150    HB2  GLU  19           HB2      GLU  19  11.366  -3.321   1.871
  151    HB3  GLU  19           HB3      GLU  19  10.258  -3.357   0.499
  152    HG2  GLU  19           HG3      GLU  19  12.152  -3.693  -1.080
  153    HG3  GLU  19           HG2      GLU  19  13.314  -3.547   0.243
  154    HE2  GLU  19           HE2      GLU  19  10.810  -5.356  -1.119
  155    H    LEU  20           H        LEU  20  12.180   0.714  -0.180
  156    HA   LEU  20           HA       LEU  20  10.772   0.629  -2.865
  157    HB2  LEU  20           HB3      LEU  20  10.864   2.820  -1.341
  158    HB3  LEU  20           HB2      LEU  20  12.538   2.936  -1.796
  159    HG   LEU  20           HG       LEU  20  11.078   4.458  -2.995
  160   HD11  LEU  20          HD21      LEU  20  12.248   2.523  -5.075
  161   HD12  LEU  20          HD22      LEU  20  11.892   4.250  -5.279
  162   HD13  LEU  20          HD23      LEU  20  13.173   3.743  -4.163
  163   HD21  LEU  20          HD11      LEU  20   9.671   2.068  -4.332
  164   HD22  LEU  20          HD12      LEU  20   8.975   3.182  -3.127
  165   HD23  LEU  20          HD13      LEU  20   9.431   3.786  -4.725
  166    H    ILE  21           H        ILE  21  14.151   1.416  -2.024
  167    HA   ILE  21           HA       ILE  21  15.092  -0.516  -4.143
  168    HB   ILE  21           HB       ILE  21  14.836   1.631  -5.366
  169   HG12  ILE  21          HG12      ILE  21  17.120   1.734  -6.436
  170   HG13  ILE  21          HG11      ILE  21  17.759   0.688  -5.179
  171   HG21  ILE  21          HG21      ILE  21  15.429   3.291  -3.547
  172   HG22  ILE  21          HG22      ILE  21  17.138   2.822  -3.696
  173   HG23  ILE  21          HG23      ILE  21  16.295   3.578  -5.067
  174   HD11  ILE  21          HD11      ILE  21  15.509  -0.086  -7.170
  175   HD12  ILE  21          HD12      ILE  21  16.247  -1.184  -5.972
  176   HD13  ILE  21          HD13      ILE  21  17.223  -0.543  -7.309
  Start of MODEL    5
    1    H1   TYR   1           H        TYR   1 -13.928  -8.751   2.176
    2    HA   TYR   1           HA       TYR   1 -15.523  -6.142   2.168
    3    HB2  TYR   1           HB3      TYR   1 -13.473  -6.865   4.363
    4    HB3  TYR   1           HB2      TYR   1 -14.079  -5.242   4.059
    5    HD1  TYR   1           HD2      TYR   1 -16.579  -4.724   4.369
    6    HD2  TYR   1           HD1      TYR   1 -14.842  -8.438   5.676
    7    HE1  TYR   1           HE2      TYR   1 -18.511  -5.121   5.833
    8    HE2  TYR   1           HE1      TYR   1 -16.780  -8.823   7.135
    9    HH   TYR   1           HH       TYR   1 -19.466  -6.483   7.304
   10    H    ASP   2           H        ASP   2 -14.734  -5.193   0.453
   11    HA   ASP   2           HA       ASP   2 -11.754  -4.753   0.166
   12    HB2  ASP   2           HB2      ASP   2 -12.370  -6.823  -1.216
   13    HB3  ASP   2           HB3      ASP   2 -13.394  -5.815  -2.226
   14    HD2  ASP   2           HD2      ASP   2 -10.775  -4.451  -4.022
   15    H    ASN   3           H        ASN   3 -11.251  -2.782  -0.726
   16    HA   ASN   3           HA       ASN   3 -13.174  -1.022  -1.981
   17    HB2  ASN   3           HB2      ASN   3 -12.154  -0.207   0.829
   18    HB3  ASN   3           HB3      ASN   3 -12.736   0.945  -0.347
   19   HD21  ASN   3          HD22      ASN   3 -15.012   0.916  -0.912
   20   HD22  ASN   3          HD21      ASN   3 -16.220   0.167   0.248
   21    H    ILE   4           H        ILE   4 -11.817  -0.760  -3.577
   22    HA   ILE   4           HA       ILE   4  -9.061  -1.015  -3.728
   23    HB   ILE   4           HB       ILE   4 -10.601  -0.897  -5.650
   24   HG12  ILE   4          HG12      ILE   4  -9.074   0.149  -7.337
   25   HG13  ILE   4          HG11      ILE   4  -8.099   0.843  -6.056
   26   HG21  ILE   4          HG21      ILE   4 -11.183   1.212  -6.776
   27   HG22  ILE   4          HG22      ILE   4 -10.361   2.168  -5.513
   28   HG23  ILE   4          HG23      ILE   4 -11.820   1.227  -5.118
   29   HD11  ILE   4          HD11      ILE   4  -7.098  -1.256  -7.003
   30   HD12  ILE   4          HD12      ILE   4  -8.537  -2.191  -6.530
   31   HD13  ILE   4          HD13      ILE   4  -7.468  -1.494  -5.283
   32    H    LEU   5           H        LEU   5 -10.459   1.928  -2.475
   33    HA   LEU   5           HA       LEU   5  -7.933   3.453  -2.702
   34    HB2  LEU   5           HB3      LEU   5 -10.297   4.524  -2.891
   35    HB3  LEU   5           HB2      LEU   5 -10.529   4.251  -1.194
   36    HG   LEU   5           HG       LEU   5 -10.012   6.569  -1.828
   37   HD11  LEU   5          HD11      LEU   5  -9.456   5.812   0.506
   38   HD12  LEU   5          HD12      LEU   5  -7.761   5.575   0.012
   39   HD13  LEU   5          HD13      LEU   5  -8.487   7.192  -0.046
   40   HD21  LEU   5          HD21      LEU   5  -7.802   7.368  -2.565
   41   HD22  LEU   5          HD22      LEU   5  -8.435   6.192  -3.734
   42   HD23  LEU   5          HD23      LEU   5  -7.155   5.711  -2.592
   43    H    VAL   6           H        VAL   6  -9.806   2.034  -0.039
   44    HA   VAL   6           HA       VAL   6  -7.916   2.597   2.101
   45    HB   VAL   6           HB       VAL   6  -9.803   0.152   2.055
   46   HG11  VAL   6          HG21      VAL   6  -8.617   1.712   4.442
   47   HG12  VAL   6          HG22      VAL   6  -9.779   0.363   4.543
   48   HG13  VAL   6          HG23      VAL   6  -8.145   0.074   3.932
   49   HG21  VAL   6          HG11      VAL   6 -11.180   2.129   1.583
   50   HG22  VAL   6          HG12      VAL   6 -11.488   1.536   3.220
   51   HG23  VAL   6          HG13      VAL   6 -10.479   2.998   2.973
   52    H    LYS   7           H        LYS   7  -8.131  -0.187  -0.056
   53    HA   LYS   7           HA       LYS   7  -5.817  -1.674   1.057
   54    HB2  LYS   7           HB3      LYS   7  -7.008  -1.979  -1.772
   55    HB3  LYS   7           HB2      LYS   7  -5.930  -3.107  -0.982
   56    HG2  LYS   7           HG2      LYS   7  -8.871  -2.559  -0.240
   57    HG3  LYS   7           HG3      LYS   7  -8.215  -3.960  -1.043
   58    HD2  LYS   7           HD2      LYS   7  -6.969  -4.668   0.965
   59    HD3  LYS   7           HD3      LYS   7  -7.405  -3.213   1.844
   60    HE2  LYS   7           HE3      LYS   7  -9.484  -5.273   0.828
   61    HE3  LYS   7           HE2      LYS   7  -8.747  -5.319   2.428
   62    HZ2  LYS   7           HZ2      LYS   7  -9.642  -3.109   2.869
   63    HZ3  LYS   7           HZ3      LYS   7 -10.337  -3.042   1.391
   64    H    MET   8           H        MET   8  -6.044   0.542  -1.765
   65    HA   MET   8           HA       MET   8  -3.190   0.273  -2.405
   66    HB2  MET   8           HB2      MET   8  -5.108   2.316  -3.447
   67    HB3  MET   8           HB3      MET   8  -3.463   2.116  -3.992
   68    HG2  MET   8           HG2      MET   8  -5.843   0.295  -4.559
   69    HG3  MET   8           HG3      MET   8  -4.629   0.980  -5.631
   70    HE1  MET   8           HE1      MET   8  -1.744   0.285  -4.683
   71    HE2  MET   8           HE2      MET   8  -2.367  -0.116  -6.315
   72    HE3  MET   8           HE3      MET   8  -1.534  -1.364  -5.341
   73    H    PHE   9           H        PHE   9  -4.723   2.246   0.009
   74    HA   PHE   9           HA       PHE   9  -2.734   4.431   0.024
   75    HB2  PHE   9           HB3      PHE   9  -5.025   4.712   0.972
   76    HB3  PHE   9           HB2      PHE   9  -4.696   3.534   2.217
   77    HD1  PHE   9           HD1      PHE   9  -3.753   6.949   0.946
   78    HD2  PHE   9           HD2      PHE   9  -3.389   4.180   4.222
   79    HE1  PHE   9           HE1      PHE   9  -2.798   8.725   2.358
   80    HE2  PHE   9           HE2      PHE   9  -2.433   5.968   5.614
   81    HZ   PHE   9           HZ       PHE   9  -2.135   8.239   4.689
   82    H    LYS  10           H        LYS  10  -3.181   1.711   2.274
   83    HA   LYS  10           HA       LYS  10  -0.486   1.990   3.418
   84    HB2  LYS  10           HB2      LYS  10  -2.323  -0.546   3.537
   85    HB3  LYS  10           HB3      LYS  10  -0.896  -0.402   4.506
   86    HG2  LYS  10           HG2      LYS  10  -1.837   1.545   5.774
   87    HG3  LYS  10           HG3      LYS  10  -3.274   1.551   4.747
   88    HD2  LYS  10           HD2      LYS  10  -3.842  -0.784   5.513
   89    HD3  LYS  10           HD3      LYS  10  -2.396  -0.808   6.530
   90    HE2  LYS  10           HE3      LYS  10  -3.298   1.169   7.858
   91    HE3  LYS  10           HE2      LYS  10  -4.746   1.190   6.840
   92    HZ2  LYS  10           HZ2      LYS  10  -3.871  -1.059   8.566
   93    HZ3  LYS  10           HZ3      LYS  10  -5.084  -0.013   8.895
   94    H    THR  11           H        THR  11  -1.511  -0.044   0.691
   95    HA   THR  11           HA       THR  11   0.894  -1.636   0.536
   96    HB   THR  11           HB       THR  11  -1.081  -0.889  -1.694
   97    HG1  THR  11           HG1      THR  11  -0.859  -3.148   0.002
   98   HG21  THR  11          HG21      THR  11   0.998  -1.844  -2.720
   99   HG22  THR  11          HG22      THR  11   0.932  -3.230  -1.598
  100   HG23  THR  11          HG23      THR  11  -0.350  -2.998  -2.817
  101    H    ASN  12           H        ASN  12   0.004   1.230  -1.380
  102    HA   ASN  12           HA       ASN  12   2.616   1.674  -2.518
  103    HB2  ASN  12           HB2      ASN  12   0.326   2.505  -3.404
  104    HB3  ASN  12           HB3      ASN  12   0.313   3.735  -2.175
  105   HD21  ASN  12          HD21      ASN  12   1.538   5.624  -2.598
  106   HD22  ASN  12          HD22      ASN  12   2.478   5.863  -4.154
  107    H    GLU  13           H        GLU  13   1.215   3.100   0.503
  108    HA   GLU  13           HA       GLU  13   3.335   5.032   0.906
  109    HB2  GLU  13           HB3      GLU  13   1.042   5.214   1.855
  110    HB3  GLU  13           HB2      GLU  13   1.359   3.863   2.940
  111    HG2  GLU  13           HG2      GLU  13   3.142   5.219   4.103
  112    HG3  GLU  13           HG3      GLU  13   2.928   6.533   2.949
  113    HE2  GLU  13           HE2      GLU  13   1.257   7.754   3.062
  114    H    ASN  14           H        ASN  14   2.794   1.886   2.486
  115    HA   ASN  14           HA       ASN  14   5.231   1.812   3.995
  116    HB2  ASN  14           HB2      ASN  14   3.164   0.380   4.365
  117    HB3  ASN  14           HB3      ASN  14   3.638  -0.630   3.018
  118   HD21  ASN  14          HD21      ASN  14   5.202  -2.242   3.459
  119   HD22  ASN  14          HD22      ASN  14   5.936  -2.478   5.122
  120    H    ASN  15           H        ASN  15   4.699   0.543   0.727
  121    HA   ASN  15           HA       ASN  15   7.391  -0.545   0.442
  122    HB2  ASN  15           HB2      ASN  15   5.196  -1.298  -0.758
  123    HB3  ASN  15           HB3      ASN  15   5.310   0.112  -1.775
  124   HD21  ASN  15          HD22      ASN  15   5.416  -2.852  -2.268
  125   HD22  ASN  15          HD21      ASN  15   6.886  -3.054  -3.348
  126    H    ASP  16           H        ASP  16   6.074   2.618  -0.484
  127    HA   ASP  16           HA       ASP  16   8.655   3.301  -1.839
  128    HB2  ASP  16           HB3      ASP  16   6.481   3.438  -3.233
  129    HB3  ASP  16           HB2      ASP  16   5.992   4.783  -2.220
  130    HD2  ASP  16           HD2      ASP  16   8.966   5.103  -4.982
  131    H    LYS  17           H        LYS  17   8.409   3.337   1.010
  132    HA   LYS  17           HA       LYS  17   9.409   6.084   1.476
  133    HB2  LYS  17           HB2      LYS  17   8.510   5.910   3.651
  134    HB3  LYS  17           HB3      LYS  17   7.223   5.234   2.686
  135    HG2  LYS  17           HG3      LYS  17   8.084   2.898   3.333
  136    HG3  LYS  17           HG2      LYS  17   9.205   3.676   4.449
  137    HD2  LYS  17           HD3      LYS  17   7.244   4.805   5.609
  138    HD3  LYS  17           HD2      LYS  17   6.140   3.951   4.528
  139    HE2  LYS  17           HE3      LYS  17   7.072   1.715   5.406
  140    HE3  LYS  17           HE2      LYS  17   8.098   2.617   6.529
  141    HZ2  LYS  17           HZ2      LYS  17   5.133   2.760   6.442
  142    HZ3  LYS  17           HZ3      LYS  17   6.081   3.588   7.485
  143    H    SER  18           H        SER  18  10.284   2.715   2.093
  144    HA   SER  18           HA       SER  18  13.138   3.659   2.739
  145    HB2  SER  18           HB2      SER  18  11.832   2.630   4.819
  146    HB3  SER  18           HB3      SER  18  11.785   1.129   3.916
  147    HG   SER  18           HG       SER  18  14.121   2.603   4.567
  148    H    GLU  19           H        GLU  19  12.130   0.297   2.068
  149    HA   GLU  19           HA       GLU  19  12.908   0.325  -0.716
  150    HB2  GLU  19           HB2      GLU  19  15.199   0.626   0.300
  151    HB3  GLU  19           HB3      GLU  19  14.999  -0.805   1.298
  152    HG2  GLU  19           HG3      GLU  19  14.850  -2.251  -0.715
  153    HG3  GLU  19           HG2      GLU  19  14.901  -0.836  -1.773
  154    HE2  GLU  19           HE2      GLU  19  18.244  -2.329  -0.022
  155    H    LEU  20           H        LEU  20  11.189  -0.963  -1.093
  156    HA   LEU  20           HA       LEU  20  11.201  -3.823   0.034
  157    HB2  LEU  20           HB2      LEU  20   9.512  -2.086   1.253
  158    HB3  LEU  20           HB3      LEU  20   8.644  -2.150  -0.253
  159    HG   LEU  20           HG       LEU  20   8.413  -4.705   0.049
  160   HD11  LEU  20          HD21      LEU  20  10.291  -5.123   1.664
  161   HD12  LEU  20          HD22      LEU  20   8.746  -5.635   2.361
  162   HD13  LEU  20          HD23      LEU  20   9.494  -4.107   2.889
  163   HD21  LEU  20          HD11      LEU  20   6.570  -4.483   1.733
  164   HD22  LEU  20          HD12      LEU  20   6.550  -3.137   0.579
  165   HD23  LEU  20          HD13      LEU  20   7.187  -2.884   2.222
  166    H    ILE  21           H        ILE  21  12.303  -3.337  -2.425
  167    HA   ILE  21           HA       ILE  21  10.275  -4.689  -4.283
  168    HB   ILE  21           HB       ILE  21  12.379  -2.646  -5.224
  169   HG12  ILE  21          HG12      ILE  21  10.072  -1.516  -6.139
  170   HG13  ILE  21          HG11      ILE  21   9.360  -2.321  -4.761
  171   HG21  ILE  21          HG21      ILE  21  11.349  -2.940  -7.479
  172   HG22  ILE  21          HG22      ILE  21  10.246  -4.185  -6.839
  173   HG23  ILE  21          HG23      ILE  21  12.001  -4.470  -6.886
  174   HD11  ILE  21          HD11      ILE  21  10.952  -0.998  -3.242
  175   HD12  ILE  21          HD12      ILE  21   9.998   0.062  -4.296
  176   HD13  ILE  21          HD13      ILE  21  11.698  -0.278  -4.690
  Start of MODEL    6
    1    H1   TYR   1           H        TYR   1 -20.621  -5.260   1.791
    2    HA   TYR   1           HA       TYR   1 -19.657  -3.397  -0.461
    3    HB2  TYR   1           HB3      TYR   1 -20.127  -2.591   2.479
    4    HB3  TYR   1           HB2      TYR   1 -19.202  -1.647   1.320
    5    HD1  TYR   1           HD2      TYR   1 -20.338  -0.616  -0.714
    6    HD2  TYR   1           HD3      TYR   1 -22.607  -2.534   2.400
    7    HE1  TYR   1           HE2      TYR   1 -22.383   0.489  -1.512
    8    HE2  TYR   1           HE3      TYR   1 -24.642  -1.424   1.591
    9    HH   TYR   1           HH       TYR   1 -25.524  -0.045   0.090
   10    H    ASP   2           H        ASP   2 -17.768  -4.233  -0.934
   11    HA   ASP   2           HA       ASP   2 -15.642  -4.537   1.207
   12    HB2  ASP   2           HB3      ASP   2 -16.730  -6.823   0.949
   13    HB3  ASP   2           HB2      ASP   2 -16.273  -6.857  -0.743
   14    HD2  ASP   2           HD2      ASP   2 -12.978  -7.706  -0.150
   15    H    ASN   3           H        ASN   3 -14.078  -3.257   0.481
   16    HA   ASN   3           HA       ASN   3 -13.014  -3.396  -2.232
   17    HB2  ASN   3           HB3      ASN   3 -14.287  -0.715  -1.365
   18    HB3  ASN   3           HB2      ASN   3 -13.044  -0.811  -2.584
   19   HD21  ASN   3          HD22      ASN   3 -13.528  -1.900  -4.608
   20   HD22  ASN   3          HD21      ASN   3 -15.276  -2.047  -5.146
   21    H    ILE   4           H        ILE   4 -11.143  -3.987  -1.315
   22    HA   ILE   4           HA       ILE   4  -9.925  -2.595   0.931
   23    HB   ILE   4           HB       ILE   4  -9.860  -5.072   0.444
   24   HG12  ILE   4          HG11      ILE   4  -7.580  -5.516   1.334
   25   HG13  ILE   4          HG12      ILE   4  -7.144  -3.830   1.158
   26   HG21  ILE   4          HG21      ILE   4  -8.103  -6.026  -0.984
   27   HG22  ILE   4          HG22      ILE   4  -9.157  -4.980  -1.960
   28   HG23  ILE   4          HG23      ILE   4  -7.546  -4.403  -1.472
   29   HD11  ILE   4          HD11      ILE   4  -7.807  -4.418   3.504
   30   HD12  ILE   4          HD12      ILE   4  -8.927  -3.203   2.857
   31   HD13  ILE   4          HD13      ILE   4  -9.426  -4.914   2.956
   32    H    LEU   5           H        LEU   5 -10.152  -1.034  -1.723
   33    HA   LEU   5           HA       LEU   5  -7.484  -0.332  -2.524
   34    HB2  LEU   5           HB2      LEU   5 -10.152   1.210  -2.866
   35    HB3  LEU   5           HB3      LEU   5  -8.646   1.846  -3.456
   36    HG   LEU   5           HG       LEU   5  -8.304  -0.277  -4.855
   37   HD11  LEU   5          HD11      LEU   5 -11.297  -0.750  -4.216
   38   HD12  LEU   5          HD12      LEU   5 -10.393  -1.544  -5.527
   39   HD13  LEU   5          HD13      LEU   5  -9.952  -1.860  -3.848
   40   HD21  LEU   5          HD21      LEU   5  -9.774   0.577  -6.686
   41   HD22  LEU   5          HD22      LEU   5 -10.710   1.542  -5.517
   42   HD23  LEU   5          HD23      LEU   5  -8.997   1.916  -5.826
   43    H    VAL   6           H        VAL   6  -9.432   1.226  -0.003
   44    HA   VAL   6           HA       VAL   6  -7.655   3.502   0.442
   45    HB   VAL   6           HB       VAL   6  -9.452   2.271   2.623
   46   HG11  VAL   6          HG21      VAL   6  -9.498   4.585   3.563
   47   HG12  VAL   6          HG22      VAL   6  -8.389   5.154   2.288
   48   HG13  VAL   6          HG23      VAL   6  -7.836   3.981   3.507
   49   HG21  VAL   6          HG11      VAL   6 -10.246   4.338   0.506
   50   HG22  VAL   6          HG12      VAL   6 -10.885   2.682   0.683
   51   HG23  VAL   6          HG13      VAL   6 -11.209   3.877   1.947
   52    H    LYS   7           H        LYS   7  -7.706   0.311   1.976
   53    HA   LYS   7           HA       LYS   7  -5.307   0.768   3.671
   54    HB2  LYS   7           HB2      LYS   7  -6.459  -1.963   2.827
   55    HB3  LYS   7           HB3      LYS   7  -5.303  -1.686   4.108
   56    HG2  LYS   7           HG3      LYS   7  -8.282  -0.893   4.123
   57    HG3  LYS   7           HG2      LYS   7  -7.492  -2.169   5.024
   58    HD2  LYS   7           HD3      LYS   7  -6.129  -0.464   6.311
   59    HD3  LYS   7           HD2      LYS   7  -6.949   0.837   5.439
   60    HE2  LYS   7           HE2      LYS   7  -9.185   0.056   6.365
   61    HE3  LYS   7           HE3      LYS   7  -8.366  -1.245   7.243
   62    HZ2  LYS   7           HZ2      LYS   7  -7.121   0.411   8.468
   63    HZ3  LYS   7           HZ3      LYS   7  -8.729   0.638   8.653
   64    H    MET   8           H        MET   8  -5.666  -0.826   0.483
   65    HA   MET   8           HA       MET   8  -2.845  -1.546   0.265
   66    HB2  MET   8           HB3      MET   8  -4.855  -1.419  -1.948
   67    HB3  MET   8           HB2      MET   8  -3.232  -2.046  -2.093
   68    HG2  MET   8           HG3      MET   8  -5.610  -3.348  -0.691
   69    HG3  MET   8           HG2      MET   8  -4.446  -3.977  -1.856
   70    HE1  MET   8           HE1      MET   8  -3.647  -6.297   1.191
   71    HE2  MET   8           HE2      MET   8  -3.988  -6.230  -0.563
   72    HE3  MET   8           HE3      MET   8  -5.242  -5.730   0.614
   73    H    PHE   9           H        PHE   9  -4.324   1.556  -0.257
   74    HA   PHE   9           HA       PHE   9  -2.397   2.565  -2.270
   75    HB2  PHE   9           HB2      PHE   9  -4.699   3.513  -1.973
   76    HB3  PHE   9           HB3      PHE   9  -4.291   4.085  -0.378
   77    HD1  PHE   9           HD2      PHE   9  -3.554   4.513  -4.040
   78    HD2  PHE   9           HD1      PHE   9  -3.021   6.190  -0.111
   79    HE1  PHE   9           HE2      PHE   9  -2.745   6.614  -5.034
   80    HE2  PHE   9           HE1      PHE   9  -2.215   8.282  -1.125
   81    HZ   PHE   9           HZ       PHE   9  -2.074   8.499  -3.583
   82    H    LYS  10           H        LYS  10  -2.740   3.211   1.204
   83    HA   LYS  10           HA       LYS  10  -0.031   4.371   1.432
   84    HB2  LYS  10           HB2      LYS  10  -1.841   3.331   3.768
   85    HB3  LYS  10           HB3      LYS  10  -0.403   4.247   4.059
   86    HG2  LYS  10           HG2      LYS  10  -1.344   6.273   2.932
   87    HG3  LYS  10           HG3      LYS  10  -2.794   5.379   2.468
   88    HD2  LYS  10           HD2      LYS  10  -3.336   4.972   4.889
   89    HD3  LYS  10           HD3      LYS  10  -1.901   5.854   5.389
   90    HE2  LYS  10           HE3      LYS  10  -4.243   7.080   3.765
   91    HE3  LYS  10           HE2      LYS  10  -4.094   7.156   5.518
   92    HZ2  LYS  10           HZ2      LYS  10  -2.005   8.359   5.250
   93    HZ3  LYS  10           HZ3      LYS  10  -2.125   8.299   3.621
   94    H    THR  11           H        THR  11  -1.103   1.023   1.984
   95    HA   THR  11           HA       THR  11   1.315   0.127   3.295
   96    HB   THR  11           HB       THR  11  -0.711  -1.511   1.671
   97    HG1  THR  11           HG1      THR  11  -0.445  -0.989   4.444
   98   HG21  THR  11          HG21      THR  11   0.034  -3.456   3.058
   99   HG22  THR  11          HG22      THR  11   1.329  -2.468   3.787
  100   HG23  THR  11          HG23      THR  11   1.371  -2.863   2.047
  101    H    ASN  12           H        ASN  12   0.335  -0.195  -0.115
  102    HA   ASN  12           HA       ASN  12   2.849  -1.156  -1.127
  103    HB2  ASN  12           HB3      ASN  12   0.520  -1.282  -2.269
  104    HB3  ASN  12           HB2      ASN  12   0.660   0.401  -2.683
  105   HD21  ASN  12          HD21      ASN  12   1.965  -2.821  -3.297
  106   HD22  ASN  12          HD22      ASN  12   2.754  -2.383  -4.894
  107    H    GLU  13           H        GLU  13   1.733   2.282  -0.828
  108    HA   GLU  13           HA       GLU  13   3.961   3.429  -2.273
  109    HB2  GLU  13           HB3      GLU  13   1.774   4.582  -1.943
  110    HB3  GLU  13           HB2      GLU  13   2.084   4.721  -0.223
  111    HG2  GLU  13           HG2      GLU  13   2.501   6.866  -1.282
  112    HG3  GLU  13           HG3      GLU  13   4.025   6.258  -0.672
  113    HE2  GLU  13           HE2      GLU  13   2.072   6.708  -3.399
  114    H    ASN  14           H        ASN  14   3.407   3.214   1.238
  115    HA   ASN  14           HA       ASN  14   5.940   4.241   2.094
  116    HB2  ASN  14           HB3      ASN  14   3.872   4.000   3.521
  117    HB3  ASN  14           HB2      ASN  14   4.132   2.274   3.622
  118   HD21  ASN  14          HD22      ASN  14   5.537   1.568   5.239
  119   HD22  ASN  14          HD21      ASN  14   6.474   2.702   6.336
  120    H    ASN  15           H        ASN  15   5.079   0.804   1.714
  121    HA   ASN  15           HA       ASN  15   7.682  -0.246   2.440
  122    HB2  ASN  15           HB3      ASN  15   5.356  -1.547   0.875
  123    HB3  ASN  15           HB2      ASN  15   6.828  -2.418   1.175
  124   HD21  ASN  15          HD22      ASN  15   7.405  -2.978   3.359
  125   HD22  ASN  15          HD21      ASN  15   6.108  -3.028   4.656
  126    H    ASP  16           H        ASP  16   6.549   0.883  -0.697
  127    HA   ASP  16           HA       ASP  16   9.060  -0.100  -2.019
  128    HB2  ASP  16           HB3      ASP  16   6.824  -1.003  -2.964
  129    HB3  ASP  16           HB2      ASP  16   6.448   0.634  -3.467
  130    HD2  ASP  16           HD2      ASP  16   9.190  -1.663  -5.376
  131    H    LYS  17           H        LYS  17   9.137   2.084  -0.341
  132    HA   LYS  17           HA       LYS  17  10.276   4.119  -2.160
  133    HB2  LYS  17           HB3      LYS  17   7.974   4.887  -1.690
  134    HB3  LYS  17           HB2      LYS  17   8.195   4.725   0.040
  135    HG2  LYS  17           HG3      LYS  17   9.815   6.700  -1.710
  136    HG3  LYS  17           HG2      LYS  17   8.244   7.071  -1.012
  137    HD2  LYS  17           HD3      LYS  17   9.228   6.485   1.324
  138    HD3  LYS  17           HD2      LYS  17  10.794   6.387   0.548
  139    HE2  LYS  17           HE2      LYS  17  10.709   8.576   1.508
  140    HE3  LYS  17           HE3      LYS  17  10.580   8.813  -0.234
  141    HZ2  LYS  17           HZ2      LYS  17   8.159   9.024   0.064
  142    HZ3  LYS  17           HZ3      LYS  17   8.299   8.799   1.677
  143    H    SER  18           H        SER  18   9.737   3.462   1.289
  144    HA   SER  18           HA       SER  18  12.525   4.243   2.041
  145    HB2  SER  18           HB3      SER  18  10.489   4.424   3.749
  146    HB3  SER  18           HB2      SER  18  10.543   2.670   3.841
  147    HG   SER  18           HG       SER  18  12.728   2.850   4.491
  148    H    GLU  19           H        GLU  19  10.931   1.042   1.945
  149    HA   GLU  19           HA       GLU  19  13.688  -0.287   1.914
  150    HB2  GLU  19           HB3      GLU  19  12.029  -0.937   3.751
  151    HB3  GLU  19           HB2      GLU  19  10.961  -1.602   2.518
  152    HG2  GLU  19           HG2      GLU  19  12.137  -3.402   3.437
  153    HG3  GLU  19           HG3      GLU  19  12.737  -3.189   1.796
  154    HE2  GLU  19           HE2      GLU  19  13.343  -2.678   5.097
  155    H    LEU  20           H        LEU  20  13.692   0.689  -0.227
  156    HA   LEU  20           HA       LEU  20  12.157  -0.743  -2.417
  157    HB2  LEU  20           HB3      LEU  20  12.679   1.878  -2.503
  158    HB3  LEU  20           HB2      LEU  20  14.336   1.416  -2.802
  159    HG   LEU  20           HG       LEU  20  13.581   0.157  -4.897
  160   HD11  LEU  20          HD21      LEU  20  10.871   1.561  -4.376
  161   HD12  LEU  20          HD22      LEU  20  11.333   0.716  -5.874
  162   HD13  LEU  20          HD23      LEU  20  11.154  -0.197  -4.369
  163   HD21  LEU  20          HD11      LEU  20  13.335   2.234  -6.259
  164   HD22  LEU  20          HD12      LEU  20  14.574   2.445  -5.008
  165   HD23  LEU  20          HD13      LEU  20  12.967   3.182  -4.796
  166    H    ILE  21           H        ILE  21  15.632  -0.156  -2.054
  167    HA   ILE  21           HA       ILE  21  16.217  -2.675  -3.578
  168    HB   ILE  21           HB       ILE  21  17.617  -0.627  -3.950
  169   HG12  ILE  21          HG12      ILE  21  19.809  -1.870  -4.233
  170   HG13  ILE  21          HG11      ILE  21  19.135  -3.237  -3.364
  171   HG21  ILE  21          HG21      ILE  21  18.179   0.034  -1.555
  172   HG22  ILE  21          HG22      ILE  21  19.605  -0.123  -2.596
  173   HG23  ILE  21          HG23      ILE  21  19.230  -1.399  -1.431
  174   HD11  ILE  21          HD11      ILE  21  17.434  -3.566  -5.211
  175   HD12  ILE  21          HD12      ILE  21  18.022  -2.088  -6.022
  176   HD13  ILE  21          HD13      ILE  21  19.081  -3.510  -5.869
  Start of MODEL    7
    1    H1   TYR   1           H        TYR   1 -12.147  -6.273   3.921
    2    HA   TYR   1           HA       TYR   1 -14.802  -5.283   2.725
    3    HB2  TYR   1           HB2      TYR   1 -12.749  -3.552   4.245
    4    HB3  TYR   1           HB3      TYR   1 -14.035  -2.914   3.230
    5    HD1  TYR   1           HD2      TYR   1 -16.479  -3.252   3.869
    6    HD2  TYR   1           HD3      TYR   1 -13.281  -4.352   6.531
    7    HE1  TYR   1           HE2      TYR   1 -18.057  -3.316   5.751
    8    HE2  TYR   1           HE3      TYR   1 -14.870  -4.412   8.403
    9    HH   TYR   1           HH       TYR   1 -16.978  -4.146   9.047
   10    H    ASP   2           H        ASP   2 -14.543  -5.305   0.656
   11    HA   ASP   2           HA       ASP   2 -11.815  -5.102  -0.665
   12    HB2  ASP   2           HB3      ASP   2 -13.481  -6.895  -1.378
   13    HB3  ASP   2           HB2      ASP   2 -14.503  -5.646  -2.076
   14    HD2  ASP   2           HD2      ASP   2 -11.046  -6.821  -3.819
   15    H    ASN   3           H        ASN   3 -11.068  -3.113  -1.224
   16    HA   ASN   3           HA       ASN   3 -12.702  -1.045  -2.411
   17    HB2  ASN   3           HB3      ASN   3 -11.446  -0.405   0.349
   18    HB3  ASN   3           HB2      ASN   3 -11.926   0.814  -0.808
   19   HD21  ASN   3          HD22      ASN   3 -14.205   1.131  -1.213
   20   HD22  ASN   3          HD21      ASN   3 -15.437   0.557   0.020
   21    H    ILE   4           H        ILE   4 -11.350  -1.075  -4.070
   22    HA   ILE   4           HA       ILE   4  -8.560  -1.589  -4.106
   23    HB   ILE   4           HB       ILE   4 -10.102  -1.759  -5.999
   24   HG12  ILE   4          HG11      ILE   4  -7.610  -1.930  -6.274
   25   HG13  ILE   4          HG12      ILE   4  -8.585  -1.668  -7.694
   26   HG21  ILE   4          HG21      ILE   4 -11.285   0.407  -5.919
   27   HG22  ILE   4          HG22      ILE   4 -10.582   0.121  -7.528
   28   HG23  ILE   4          HG23      ILE   4  -9.806   1.271  -6.404
   29   HD11  ILE   4          HD11      ILE   4  -7.857   0.725  -7.848
   30   HD12  ILE   4          HD12      ILE   4  -6.860   0.535  -6.387
   31   HD13  ILE   4          HD13      ILE   4  -6.480  -0.395  -7.846
   32    H    LEU   5           H        LEU   5  -9.997   1.451  -3.308
   33    HA   LEU   5           HA       LEU   5  -7.504   3.007  -3.717
   34    HB2  LEU   5           HB3      LEU   5  -9.865   3.986  -4.199
   35    HB3  LEU   5           HB2      LEU   5 -10.184   3.991  -2.494
   36    HG   LEU   5           HG       LEU   5  -9.661   6.183  -3.483
   37   HD11  LEU   5          HD11      LEU   5  -7.515   5.559  -1.375
   38   HD12  LEU   5          HD12      LEU   5  -9.239   5.840  -1.028
   39   HD13  LEU   5          HD13      LEU   5  -8.253   7.128  -1.748
   40   HD21  LEU   5          HD21      LEU   5  -7.420   6.896  -4.217
   41   HD22  LEU   5          HD22      LEU   5  -6.754   5.271  -3.926
   42   HD23  LEU   5          HD23      LEU   5  -7.968   5.526  -5.205
   43    H    VAL   6           H        VAL   6  -9.481   2.053  -0.914
   44    HA   VAL   6           HA       VAL   6  -7.653   3.022   1.136
   45    HB   VAL   6           HB       VAL   6  -9.511   0.586   1.495
   46   HG11  VAL   6          HG21      VAL   6  -9.536   1.236   3.910
   47   HG12  VAL   6          HG22      VAL   6  -7.890   0.855   3.390
   48   HG13  VAL   6          HG23      VAL   6  -8.378   2.554   3.591
   49   HG21  VAL   6          HG11      VAL   6 -10.881   2.451   0.656
   50   HG22  VAL   6          HG12      VAL   6 -10.217   3.543   1.897
   51   HG23  VAL   6          HG13      VAL   6 -11.229   2.136   2.360
   52    H    LYS   7           H        LYS   7  -7.778  -0.098  -0.490
   53    HA   LYS   7           HA       LYS   7  -5.541  -1.360   0.919
   54    HB2  LYS   7           HB3      LYS   7  -7.266  -2.700  -0.248
   55    HB3  LYS   7           HB2      LYS   7  -6.831  -2.017  -1.800
   56    HG2  LYS   7           HG2      LYS   7  -6.044  -4.309  -1.607
   57    HG3  LYS   7           HG3      LYS   7  -4.680  -3.237  -1.840
   58    HD2  LYS   7           HD3      LYS   7  -4.213  -3.338   0.671
   59    HD3  LYS   7           HD2      LYS   7  -5.562  -4.442   0.883
   60    HE2  LYS   7           HE2      LYS   7  -3.070  -5.007  -0.880
   61    HE3  LYS   7           HE3      LYS   7  -3.248  -5.522   0.794
   62    HZ2  LYS   7           HZ2      LYS   7  -3.816  -7.268  -0.748
   63    HZ3  LYS   7           HZ3      LYS   7  -4.991  -6.371  -1.447
   64    H    MET   8           H        MET   8  -5.594   0.309  -2.280
   65    HA   MET   8           HA       MET   8  -2.694   0.020  -2.652
   66    HB2  MET   8           HB2      MET   8  -4.514   1.794  -4.236
   67    HB3  MET   8           HB3      MET   8  -2.834   1.488  -4.585
   68    HG2  MET   8           HG3      MET   8  -5.198  -0.408  -4.954
   69    HG3  MET   8           HG2      MET   8  -3.899   0.047  -6.052
   70    HE1  MET   8           HE1      MET   8  -0.882  -2.206  -5.089
   71    HE2  MET   8           HE2      MET   8  -1.637  -1.195  -6.357
   72    HE3  MET   8           HE3      MET   8  -1.105  -0.454  -4.815
   73    H    PHE   9           H        PHE   9  -4.472   2.419  -0.848
   74    HA   PHE   9           HA       PHE   9  -2.340   4.509  -1.019
   75    HB2  PHE   9           HB2      PHE   9  -4.752   5.125  -0.682
   76    HB3  PHE   9           HB3      PHE   9  -4.780   4.290   0.849
   77    HD1  PHE   9           HD2      PHE   9  -3.362   7.244  -0.979
   78    HD2  PHE   9           HD1      PHE   9  -3.755   5.342   2.864
   79    HE1  PHE   9           HE2      PHE   9  -2.554   9.288   0.129
   80    HE2  PHE   9           HE1      PHE   9  -2.941   7.393   3.950
   81    HZ   PHE   9           HZ       PHE   9  -2.342   9.367   2.590
   82    H    LYS  10           H        LYS  10  -3.515   2.282   1.483
   83    HA   LYS  10           HA       LYS  10  -1.204   2.702   3.255
   84    HB2  LYS  10           HB2      LYS  10  -3.167   0.256   3.272
   85    HB3  LYS  10           HB3      LYS  10  -2.067   0.563   4.573
   86    HG2  LYS  10           HG3      LYS  10  -3.211   2.704   5.166
   87    HG3  LYS  10           HG2      LYS  10  -4.287   2.554   3.775
   88    HD2  LYS  10           HD2      LYS  10  -5.203   0.389   4.702
   89    HD3  LYS  10           HD3      LYS  10  -4.143   0.544   6.109
   90    HE2  LYS  10           HE2      LYS  10  -5.282   2.731   6.730
   91    HE3  LYS  10           HE3      LYS  10  -6.333   2.589   5.313
   92    HZ2  LYS  10           HZ2      LYS  10  -7.167   0.494   6.223
   93    HZ3  LYS  10           HZ3      LYS  10  -6.197   0.622   7.532
   94    H    THR  11           H        THR  11  -1.671   0.185   0.762
   95    HA   THR  11           HA       THR  11   0.633  -1.398   1.541
   96    HB   THR  11           HB       THR  11  -0.788  -1.243  -1.173
   97    HG1  THR  11           HG1      THR  11  -0.970  -3.047   1.007
   98   HG21  THR  11          HG21      THR  11   0.136  -3.532  -1.587
   99   HG22  THR  11          HG22      THR  11   1.119  -3.425  -0.102
  100   HG23  THR  11          HG23      THR  11   1.448  -2.337  -1.478
  101    H    ASN  12           H        ASN  12   0.264   1.048  -1.025
  102    HA   ASN  12           HA       ASN  12   3.060   1.202  -1.700
  103    HB2  ASN  12           HB3      ASN  12   1.031   1.978  -3.133
  104    HB3  ASN  12           HB2      ASN  12   0.920   3.403  -2.144
  105   HD21  ASN  12          HD21      ASN  12   2.853   1.727  -4.560
  106   HD22  ASN  12          HD22      ASN  12   3.863   3.187  -5.025
  107    H    GLU  13           H        GLU  13   1.201   3.250   0.670
  108    HA   GLU  13           HA       GLU  13   3.364   5.099   1.181
  109    HB2  GLU  13           HB2      GLU  13   0.936   5.547   1.567
  110    HB3  GLU  13           HB3      GLU  13   0.929   4.425   2.927
  111    HG2  GLU  13           HG3      GLU  13   2.528   5.936   4.173
  112    HG3  GLU  13           HG2      GLU  13   2.652   6.989   2.766
  113    HE2  GLU  13           HE2      GLU  13   0.481   5.630   5.022
  114    H    ASN  14           H        ASN  14   2.471   2.124   2.905
  115    HA   ASN  14           HA       ASN  14   4.710   2.419   4.815
  116    HB2  ASN  14           HB3      ASN  14   2.588   0.221   4.615
  117    HB3  ASN  14           HB2      ASN  14   3.869   0.233   5.800
  118   HD21  ASN  14          HD21      ASN  14   0.774   1.554   5.056
  119   HD22  ASN  14          HD22      ASN  14   0.644   2.577   6.573
  120    H    ASN  15           H        ASN  15   3.859  -0.274   2.629
  121    HA   ASN  15           HA       ASN  15   6.496  -1.491   2.856
  122    HB2  ASN  15           HB2      ASN  15   4.221  -2.179   0.871
  123    HB3  ASN  15           HB3      ASN  15   5.672  -3.113   1.011
  124   HD21  ASN  15          HD21      ASN  15   6.072  -4.292   3.013
  125   HD22  ASN  15          HD22      ASN  15   4.642  -4.757   4.065
  126    H    ASP  16           H        ASP  16   5.382   0.868   0.512
  127    HA   ASP  16           HA       ASP  16   7.758   0.325  -1.225
  128    HB2  ASP  16           HB3      ASP  16   5.535  -0.187  -2.419
  129    HB3  ASP  16           HB2      ASP  16   5.141   1.515  -2.288
  130    HD2  ASP  16           HD2      ASP  16   7.207  -0.810  -3.571
  131    H    LYS  17           H        LYS  17   8.149   1.607   0.944
  132    HA   LYS  17           HA       LYS  17   8.725   4.407   0.081
  133    HB2  LYS  17           HB2      LYS  17   6.851   3.777   2.087
  134    HB3  LYS  17           HB3      LYS  17   8.274   4.043   3.049
  135    HG2  LYS  17           HG2      LYS  17   7.151   6.120   2.965
  136    HG3  LYS  17           HG3      LYS  17   8.532   6.348   1.896
  137    HD2  LYS  17           HD3      LYS  17   7.067   5.945  -0.110
  138    HD3  LYS  17           HD2      LYS  17   5.691   5.575   0.905
  139    HE2  LYS  17           HE3      LYS  17   7.122   8.329   0.837
  140    HE3  LYS  17           HE2      LYS  17   5.705   7.916  -0.127
  141    HZ2  LYS  17           HZ2      LYS  17   5.778   7.893   2.837
  142    HZ3  LYS  17           HZ3      LYS  17   4.475   7.512   1.925
  143    H    SER  18           H        SER  18   9.668   2.222   2.698
  144    HA   SER  18           HA       SER  18  12.499   3.237   2.647
  145    HB2  SER  18           HB3      SER  18  11.334   2.387   4.887
  146    HB3  SER  18           HB2      SER  18  11.489   0.766   4.227
  147    HG   SER  18           HG       SER  18  13.598   2.622   4.620
  148    H    GLU  19           H        GLU  19  11.109   0.028   1.867
  149    HA   GLU  19           HA       GLU  19  13.449  -0.477  -0.014
  150    HB2  GLU  19           HB3      GLU  19  13.759  -1.861   2.031
  151    HB3  GLU  19           HB2      GLU  19  12.140  -2.545   1.884
  152    HG2  GLU  19           HG3      GLU  19  12.746  -3.601  -0.303
  153    HG3  GLU  19           HG2      GLU  19  14.346  -2.860  -0.243
  154    HE2  GLU  19           HE2      GLU  19  13.409  -6.119   1.966
  155    H    LEU  20           H        LEU  20  12.081   0.481  -1.528
  156    HA   LEU  20           HA       LEU  20   9.475  -0.224  -2.274
  157    HB2  LEU  20           HB2      LEU  20  11.687   0.760  -4.199
  158    HB3  LEU  20           HB3      LEU  20  10.000   0.617  -4.537
  159    HG   LEU  20           HG       LEU  20   9.473   2.249  -2.629
  160   HD11  LEU  20          HD21      LEU  20  11.313   3.905  -2.051
  161   HD12  LEU  20          HD22      LEU  20  11.615   2.312  -1.359
  162   HD13  LEU  20          HD23      LEU  20  12.510   2.828  -2.810
  163   HD21  LEU  20          HD11      LEU  20   9.908   4.229  -4.078
  164   HD22  LEU  20          HD12      LEU  20   9.347   2.859  -5.051
  165   HD23  LEU  20          HD13      LEU  20  11.072   3.295  -5.053
  166    H    ILE  21           H        ILE  21  12.345  -1.608  -3.866
  167    HA   ILE  21           HA       ILE  21  10.620  -3.908  -4.939
  168    HB   ILE  21           HB       ILE  21  13.454  -3.187  -5.879
  169   HG12  ILE  21          HG12      ILE  21  12.099  -2.858  -8.156
  170   HG13  ILE  21          HG11      ILE  21  10.695  -2.623  -7.137
  171   HG21  ILE  21          HG21      ILE  21  13.077  -4.904  -7.652
  172   HG22  ILE  21          HG22      ILE  21  13.009  -5.641  -6.051
  173   HG23  ILE  21          HG23      ILE  21  11.500  -5.330  -6.939
  174   HD11  ILE  21          HD11      ILE  21  11.816  -0.487  -7.890
  175   HD12  ILE  21          HD12      ILE  21  13.305  -0.943  -7.031
  176   HD13  ILE  21          HD13      ILE  21  11.814  -0.583  -6.123
  Start of MODEL    8
    1    H1   TYR   1           H        TYR   1 -18.420  -5.540   0.434
    2    HA   TYR   1           HA       TYR   1 -16.665  -5.592  -1.031
    3    HB2  TYR   1           HB2      TYR   1 -18.353  -4.187  -3.163
    4    HB3  TYR   1           HB3      TYR   1 -16.801  -4.962  -3.398
    5    HD1  TYR   1           HD2      TYR   1 -16.555  -7.491  -3.083
    6    HD2  TYR   1           HD3      TYR   1 -20.406  -5.567  -3.093
    7    HE1  TYR   1           HE2      TYR   1 -17.642  -9.650  -3.520
    8    HE2  TYR   1           HE3      TYR   1 -21.478  -7.732  -3.528
    9    HH   TYR   1           HH       TYR   1 -19.559 -10.721  -3.849
   10    H    ASP   2           H        ASP   2 -15.497  -4.366   0.377
   11    HA   ASP   2           HA       ASP   2 -15.131  -1.401  -0.158
   12    HB2  ASP   2           HB3      ASP   2 -15.323  -2.283   2.229
   13    HB3  ASP   2           HB2      ASP   2 -13.751  -3.050   2.053
   14    HD2  ASP   2           HD2      ASP   2 -15.471  -0.125   1.979
   15    H    ASN   3           H        ASN   3 -13.233  -0.501  -0.839
   16    HA   ASN   3           HA       ASN   3 -10.849  -2.018  -1.534
   17    HB2  ASN   3           HB3      ASN   3 -12.276  -2.604  -3.544
   18    HB3  ASN   3           HB2      ASN   3 -12.479  -0.904  -3.907
   19   HD21  ASN   3          HD21      ASN   3  -9.925  -3.395  -3.502
   20   HD22  ASN   3          HD22      ASN   3  -8.834  -2.685  -4.795
   21    H    ILE   4           H        ILE   4 -10.651  -0.408   0.239
   22    HA   ILE   4           HA       ILE   4  -9.502   2.150  -0.760
   23    HB   ILE   4           HB       ILE   4 -11.265   1.800   1.626
   24   HG12  ILE   4          HG11      ILE   4 -12.660   2.053  -0.370
   25   HG13  ILE   4          HG12      ILE   4 -12.845   3.393   0.724
   26   HG21  ILE   4          HG21      ILE   4  -9.719   4.319   0.826
   27   HG22  ILE   4          HG22      ILE   4  -9.452   3.321   2.273
   28   HG23  ILE   4          HG23      ILE   4 -10.963   4.234   2.117
   29   HD11  ILE   4          HD11      ILE   4 -11.164   3.520  -1.875
   30   HD12  ILE   4          HD12      ILE   4 -11.472   4.881  -0.770
   31   HD13  ILE   4          HD13      ILE   4 -12.816   4.141  -1.664
   32    H    LEU   5           H        LEU   5  -9.678   0.774   2.492
   33    HA   LEU   5           HA       LEU   5  -6.887   0.935   2.991
   34    HB2  LEU   5           HB3      LEU   5  -8.905  -0.900   4.491
   35    HB3  LEU   5           HB2      LEU   5  -7.322  -0.502   5.069
   36    HG   LEU   5           HG       LEU   5  -8.712   0.773   6.349
   37   HD11  LEU   5          HD21      LEU   5  -8.158   3.142   5.973
   38   HD12  LEU   5          HD22      LEU   5  -6.764   2.126   5.550
   39   HD13  LEU   5          HD23      LEU   5  -7.774   2.833   4.263
   40   HD21  LEU   5          HD11      LEU   5 -10.572   2.214   5.699
   41   HD22  LEU   5          HD12      LEU   5 -10.301   1.899   3.974
   42   HD23  LEU   5          HD13      LEU   5 -10.830   0.584   5.048
   43    H    VAL   6           H        VAL   6  -8.534  -1.906   1.671
   44    HA   VAL   6           HA       VAL   6  -6.376  -3.820   2.195
   45    HB   VAL   6           HB       VAL   6  -8.407  -4.097  -0.109
   46   HG11  VAL   6          HG11      VAL   6  -6.776  -6.240   1.406
   47   HG12  VAL   6          HG12      VAL   6  -6.483  -5.708  -0.267
   48   HG13  VAL   6          HG13      VAL   6  -7.990  -6.543   0.136
   49   HG21  VAL   6          HG21      VAL   6  -9.695  -3.769   1.941
   50   HG22  VAL   6          HG22      VAL   6  -8.737  -5.010   2.793
   51   HG23  VAL   6          HG23      VAL   6  -9.793  -5.455   1.413
   52    H    LYS   7           H        LYS   7  -7.052  -1.866  -0.694
   53    HA   LYS   7           HA       LYS   7  -4.513  -2.657  -2.023
   54    HB2  LYS   7           HB2      LYS   7  -4.951  -1.110  -3.800
   55    HB3  LYS   7           HB3      LYS   7  -6.351  -2.105  -3.476
   56    HG2  LYS   7           HG3      LYS   7  -7.525  -0.217  -2.363
   57    HG3  LYS   7           HG2      LYS   7  -6.093   0.811  -2.488
   58    HD2  LYS   7           HD2      LYS   7  -6.193   0.636  -5.021
   59    HD3  LYS   7           HD3      LYS   7  -7.663  -0.330  -4.879
   60    HE2  LYS   7           HE2      LYS   7  -8.786   1.639  -3.666
   61    HE3  LYS   7           HE3      LYS   7  -7.314   2.590  -3.893
   62    HZ2  LYS   7           HZ2      LYS   7  -7.580   2.361  -6.277
   63    HZ3  LYS   7           HZ3      LYS   7  -8.903   3.050  -5.607
   64    H    MET   8           H        MET   8  -5.387   0.244  -0.117
   65    HA   MET   8           HA       MET   8  -2.826   1.578  -0.550
   66    HB2  MET   8           HB3      MET   8  -4.867   2.195   1.547
   67    HB3  MET   8           HB2      MET   8  -3.446   3.151   1.212
   68    HG2  MET   8           HG2      MET   8  -5.986   2.937  -0.455
   69    HG3  MET   8           HG3      MET   8  -5.049   4.336   0.049
   70    HE1  MET   8           HE1      MET   8  -3.151   5.487  -1.311
   71    HE2  MET   8           HE2      MET   8  -2.088   4.126  -0.832
   72    HE3  MET   8           HE3      MET   8  -2.164   4.643  -2.542
   73    H    PHE   9           H        PHE   9  -3.562  -1.019   1.644
   74    HA   PHE   9           HA       PHE   9  -1.516  -0.343   3.683
   75    HB2  PHE   9           HB3      PHE   9  -3.456  -1.796   4.232
   76    HB3  PHE   9           HB2      PHE   9  -2.926  -3.012   3.098
   77    HD1  PHE   9           HD1      PHE   9  -2.033  -1.280   6.323
   78    HD2  PHE   9           HD2      PHE   9  -1.159  -4.613   3.743
   79    HE1  PHE   9           HE1      PHE   9  -0.645  -2.294   8.084
   80    HE2  PHE   9           HE2      PHE   9   0.226  -5.609   5.516
   81    HZ   PHE   9           HZ       PHE   9   0.486  -4.456   7.685
   82    H    LYS  10           H        LYS  10  -1.560  -2.865   1.174
   83    HA   LYS  10           HA       LYS  10   1.348  -3.267   1.281
   84    HB2  LYS  10           HB3      LYS  10  -0.566  -4.051  -1.070
   85    HB3  LYS  10           HB2      LYS  10   1.072  -4.608  -1.002
   86    HG2  LYS  10           HG3      LYS  10   0.631  -5.915   1.096
   87    HG3  LYS  10           HG2      LYS  10  -1.017  -5.284   1.172
   88    HD2  LYS  10           HD2      LYS  10  -1.538  -6.356  -1.051
   89    HD3  LYS  10           HD3      LYS  10   0.115  -6.977  -1.144
   90    HE2  LYS  10           HE3      LYS  10  -0.270  -8.322   0.983
   91    HE3  LYS  10           HE2      LYS  10  -1.924  -7.699   1.076
   92    HZ2  LYS  10           HZ2      LYS  10  -1.879  -9.840   0.039
   93    HZ3  LYS  10           HZ3      LYS  10  -2.398  -8.732  -1.046
   94    H    THR  11           H        THR  11  -0.461  -1.045  -0.829
   95    HA   THR  11           HA       THR  11   1.729  -0.449  -2.619
   96    HB   THR  11           HB       THR  11  -0.686   1.294  -1.871
   97    HG1  THR  11           HG1      THR  11  -0.176  -0.475  -4.026
   98   HG21  THR  11          HG21      THR  11  -0.366   2.386  -4.098
   99   HG22  THR  11          HG22      THR  11   1.025   2.708  -3.039
  100   HG23  THR  11          HG23      THR  11   1.160   1.494  -4.340
  101    H    ASN  12           H        ASN  12   0.578   1.424   0.186
  102    HA   ASN  12           HA       ASN  12   2.862   3.177   0.335
  103    HB2  ASN  12           HB3      ASN  12   0.487   3.563   1.305
  104    HB3  ASN  12           HB2      ASN  12   0.853   2.461   2.600
  105   HD21  ASN  12          HD22      ASN  12   1.924   3.340   4.378
  106   HD22  ASN  12          HD21      ASN  12   2.534   5.069   4.447
  107    H    GLU  13           H        GLU  13   2.338   0.051   2.077
  108    HA   GLU  13           HA       GLU  13   4.611   0.363   3.845
  109    HB2  GLU  13           HB3      GLU  13   2.612  -1.050   4.312
  110    HB3  GLU  13           HB2      GLU  13   3.099  -2.188   3.059
  111    HG2  GLU  13           HG3      GLU  13   5.180  -2.744   4.376
  112    HG3  GLU  13           HG2      GLU  13   4.772  -1.521   5.577
  113    HE2  GLU  13           HE2      GLU  13   2.450  -3.428   7.249
  114    H    ASN  14           H        ASN  14   4.268  -1.619   0.905
  115    HA   ASN  14           HA       ASN  14   7.032  -2.512   0.882
  116    HB2  ASN  14           HB2      ASN  14   4.962  -2.640  -1.377
  117    HB3  ASN  14           HB3      ASN  14   6.581  -3.273  -1.533
  118   HD21  ASN  14          HD21      ASN  14   3.462  -3.995  -0.280
  119   HD22  ASN  14          HD22      ASN  14   3.930  -5.613   0.445
  120    H    ASN  15           H        ASN  15   5.495   0.028  -1.097
  121    HA   ASN  15           HA       ASN  15   8.010   0.797  -2.413
  122    HB2  ASN  15           HB2      ASN  15   5.307   2.295  -2.340
  123    HB3  ASN  15           HB3      ASN  15   6.695   2.884  -3.197
  124   HD21  ASN  15          HD22      ASN  15   4.025   0.800  -3.455
  125   HD22  ASN  15          HD21      ASN  15   4.478   0.084  -5.083
  126    H    ASP  16           H        ASP  16   6.071   2.590  -0.022
  127    HA   ASP  16           HA       ASP  16   6.706   4.208   1.559
  128    HB2  ASP  16           HB2      ASP  16   7.859   2.177   2.509
  129    HB3  ASP  16           HB3      ASP  16   9.350   2.702   1.757
  130    HD2  ASP  16           HD2      ASP  16  10.400   4.298   2.602
  131    H    LYS  17           H        LYS  17   6.577   5.331  -0.591
  132    HA   LYS  17           HA       LYS  17   6.934   7.311  -1.628
  133    HB2  LYS  17           HB3      LYS  17   7.981   8.219   0.408
  134    HB3  LYS  17           HB2      LYS  17   9.517   7.575  -0.107
  135    HG2  LYS  17           HG3      LYS  17   9.414  10.002  -0.525
  136    HG3  LYS  17           HG2      LYS  17   9.540   9.172  -2.072
  137    HD2  LYS  17           HD2      LYS  17   7.044   9.420  -2.429
  138    HD3  LYS  17           HD3      LYS  17   6.877  10.124  -0.833
  139    HE2  LYS  17           HE2      LYS  17   6.804  11.961  -2.393
  140    HE3  LYS  17           HE3      LYS  17   8.351  12.097  -1.559
  141    HZ2  LYS  17           HZ2      LYS  17   9.388  11.010  -3.492
  142    HZ3  LYS  17           HZ3      LYS  17   7.944  10.894  -4.250
  143    H    SER  18           H        SER  18   9.904   5.370  -1.629
  144    HA   SER  18           HA       SER  18   9.815   5.326  -4.694
  145    HB2  SER  18           HB2      SER  18  11.727   6.970  -3.829
  146    HB3  SER  18           HB3      SER  18  12.456   5.569  -3.070
  147    HG   SER  18           HG       SER  18  11.805   5.817  -5.821
  148    H    GLU  19           H        GLU  19  12.180   3.625  -2.674
  149    HA   GLU  19           HA       GLU  19  10.514   1.142  -2.489
  150    HB2  GLU  19           HB3      GLU  19  11.426   1.056  -4.813
  151    HB3  GLU  19           HB2      GLU  19  13.071   1.297  -4.230
  152    HG2  GLU  19           HG3      GLU  19  12.988  -0.871  -2.999
  153    HG3  GLU  19           HG2      GLU  19  11.294  -1.089  -3.448
  154    HE2  GLU  19           HE2      GLU  19  14.312  -1.805  -6.059
  155    H    LEU  20           H        LEU  20  10.770   1.582  -0.203
  156    HA   LEU  20           HA       LEU  20  13.626   1.451   0.882
  157    HB2  LEU  20           HB3      LEU  20  11.762   3.198   1.770
  158    HB3  LEU  20           HB2      LEU  20  11.189   1.830   2.682
  159    HG   LEU  20           HG       LEU  20  12.573   3.299   3.993
  160   HD11  LEU  20          HD11      LEU  20  14.158   1.766   5.070
  161   HD12  LEU  20          HD12      LEU  20  14.171   0.691   3.654
  162   HD13  LEU  20          HD13      LEU  20  12.687   0.882   4.622
  163   HD21  LEU  20          HD21      LEU  20  14.030   4.268   2.202
  164   HD22  LEU  20          HD22      LEU  20  14.992   2.770   2.161
  165   HD23  LEU  20          HD23      LEU  20  14.959   3.771   3.630
  166    H    ILE  21           H        ILE  21  10.647  -0.148   2.019
  167    HA   ILE  21           HA       ILE  21  11.972  -2.829   1.707
  168    HB   ILE  21           HB       ILE  21  12.837  -2.072   3.896
  169   HG12  ILE  21          HG12      ILE  21  12.229  -4.082   5.294
  170   HG13  ILE  21          HG11      ILE  21  10.960  -4.496   4.154
  171   HG21  ILE  21          HG21      ILE  21   9.986  -2.179   5.062
  172   HG22  ILE  21          HG22      ILE  21  10.889  -0.684   4.726
  173   HG23  ILE  21          HG23      ILE  21  11.499  -1.833   5.929
  174   HD11  ILE  21          HD11      ILE  21  13.065  -5.832   3.811
  175   HD12  ILE  21          HD12      ILE  21  13.983  -4.345   3.477
  176   HD13  ILE  21          HD13      ILE  21  12.702  -4.882   2.356
  Start of MODEL    9
    1    H1   TYR   1           H        TYR   1 -15.045   0.943   2.706
    2    HA   TYR   1           HA       TYR   1 -16.484  -0.748   0.605
    3    HB2  TYR   1           HB3      TYR   1 -14.708   1.680  -0.097
    4    HB3  TYR   1           HB2      TYR   1 -15.164   0.423  -1.239
    5    HD1  TYR   1           HD2      TYR   1 -17.627   0.072  -1.857
    6    HD2  TYR   1           HD3      TYR   1 -16.321   3.473   0.434
    7    HE1  TYR   1           HE2      TYR   1 -19.719   1.246  -2.391
    8    HE2  TYR   1           HE3      TYR   1 -18.416   4.634  -0.107
    9    HH   TYR   1           HH       TYR   1 -20.364   4.533  -1.169
   10    H    ASP   2           H        ASP   2 -15.464  -2.573   0.611
   11    HA   ASP   2           HA       ASP   2 -12.407  -2.717   0.966
   12    HB2  ASP   2           HB2      ASP   2 -13.707  -3.646   2.926
   13    HB3  ASP   2           HB3      ASP   2 -14.456  -4.837   1.877
   14    HD2  ASP   2           HD2      ASP   2 -13.231  -6.354   0.994
   15    H    ASN   3           H        ASN   3 -12.005  -2.531  -1.217
   16    HA   ASN   3           HA       ASN   3 -12.232  -4.942  -2.811
   17    HB2  ASN   3           HB2      ASN   3 -13.464  -4.117  -4.780
   18    HB3  ASN   3           HB3      ASN   3 -14.459  -4.317  -3.367
   19   HD21  ASN   3          HD22      ASN   3 -13.678  -2.165  -5.849
   20   HD22  ASN   3          HD21      ASN   3 -14.582  -0.715  -5.179
   21    H    ILE   4           H        ILE   4 -10.132  -4.885  -2.967
   22    HA   ILE   4           HA       ILE   4  -8.023  -4.484  -3.495
   23    HB   ILE   4           HB       ILE   4  -9.113  -4.893  -5.651
   24   HG12  ILE   4          HG12      ILE   4  -6.403  -3.457  -5.915
   25   HG13  ILE   4          HG11      ILE   4  -6.593  -5.013  -5.132
   26   HG21  ILE   4          HG21      ILE   4  -8.546  -1.917  -6.263
   27   HG22  ILE   4          HG22      ILE   4  -8.963  -3.150  -7.479
   28   HG23  ILE   4          HG23      ILE   4 -10.139  -2.719  -6.245
   29   HD11  ILE   4          HD11      ILE   4  -7.501  -6.028  -7.263
   30   HD12  ILE   4          HD12      ILE   4  -7.210  -4.479  -8.101
   31   HD13  ILE   4          HD13      ILE   4  -5.847  -5.392  -7.422
   32    H    LEU   5           H        LEU   5  -9.548  -1.362  -3.509
   33    HA   LEU   5           HA       LEU   5  -6.979   0.080  -3.365
   34    HB2  LEU   5           HB2      LEU   5  -9.862   1.153  -3.048
   35    HB3  LEU   5           HB3      LEU   5  -8.468   2.197  -3.065
   36    HG   LEU   5           HG       LEU   5  -9.314   0.417  -5.430
   37   HD11  LEU   5          HD21      LEU   5  -9.675   3.456  -5.028
   38   HD12  LEU   5          HD22      LEU   5 -10.968   2.233  -4.978
   39   HD13  LEU   5          HD23      LEU   5 -10.094   2.533  -6.492
   40   HD21  LEU   5          HD11      LEU   5  -7.689   1.781  -6.786
   41   HD22  LEU   5          HD12      LEU   5  -6.853   0.862  -5.525
   42   HD23  LEU   5          HD13      LEU   5  -7.131   2.608  -5.310
   43    H    VAL   6           H        VAL   6  -9.356  -0.747  -0.874
   44    HA   VAL   6           HA       VAL   6  -8.229   0.996   1.194
   45    HB   VAL   6           HB       VAL   6 -10.553  -0.298   1.142
   46   HG11  VAL   6          HG21      VAL   6  -9.787  -2.626   1.124
   47   HG12  VAL   6          HG22      VAL   6  -9.070  -2.413   2.751
   48   HG13  VAL   6          HG23      VAL   6 -10.824  -2.238   2.519
   49   HG21  VAL   6          HG11      VAL   6  -9.818   1.330   2.927
   50   HG22  VAL   6          HG12      VAL   6  -8.991   0.009   3.792
   51   HG23  VAL   6          HG13      VAL   6 -10.766  -0.009   3.610
   52    H    LYS   7           H        LYS   7  -7.600  -2.359   0.636
   53    HA   LYS   7           HA       LYS   7  -5.340  -2.546   2.527
   54    HB2  LYS   7           HB3      LYS   7  -4.811  -4.782   1.560
   55    HB3  LYS   7           HB2      LYS   7  -6.440  -4.586   2.163
   56    HG2  LYS   7           HG       LYS   7  -7.359  -4.379  -0.113
   57    HG3  LYS   7           HG3      LYS   7  -5.746  -4.429  -0.838
   58    HD2  LYS   7           HD2      LYS   7  -5.425  -6.785   0.055
   59    HD3  LYS   7           HD3      LYS   7  -7.001  -6.701   0.827
   60    HE2  LYS   7           HE3      LYS   7  -7.314  -7.973  -1.186
   61    HE3  LYS   7           HE2      LYS   7  -8.116  -6.428  -1.452
   62    HZ2  LYS   7           HZ2      LYS   7  -6.192  -5.708  -2.732
   63    HZ3  LYS   7           HZ3      LYS   7  -6.837  -7.075  -3.356
   64    H    MET   8           H        MET   8  -5.304  -1.999  -1.009
   65    HA   MET   8           HA       MET   8  -2.375  -2.015  -1.179
   66    HB2  MET   8           HB2      MET   8  -4.295  -1.002  -3.235
   67    HB3  MET   8           HB3      MET   8  -2.573  -1.169  -3.455
   68    HG2  MET   8           HG3      MET   8  -4.648  -3.412  -3.327
   69    HG3  MET   8           HG2      MET   8  -3.362  -3.064  -4.486
   70    HE1  MET   8           HE1      MET   8  -2.048  -6.491  -3.169
   71    HE2  MET   8           HE2      MET   8  -2.307  -5.473  -4.617
   72    HE3  MET   8           HE3      MET   8  -3.704  -5.993  -3.625
   73    H    PHE   9           H        PHE   9  -4.495   0.526  -0.122
   74    HA   PHE   9           HA       PHE   9  -2.782   2.799  -0.936
   75    HB2  PHE   9           HB2      PHE   9  -5.204   3.103  -0.498
   76    HB3  PHE   9           HB3      PHE   9  -5.014   2.637   1.172
   77    HD1  PHE   9           HD2      PHE   9  -4.131   5.290  -1.351
   78    HD2  PHE   9           HD1      PHE   9  -4.209   4.280   2.833
   79    HE1  PHE   9           HE2      PHE   9  -3.633   7.628  -0.764
   80    HE2  PHE   9           HE1      PHE   9  -3.704   6.620   3.397
   81    HZ   PHE   9           HZ       PHE   9  -3.417   8.297   1.606
   82    H    LYS  10           H        LYS  10  -3.340   1.339   2.256
   83    HA   LYS  10           HA       LYS  10  -0.926   2.580   3.407
   84    HB2  LYS  10           HB3      LYS  10  -2.610   0.336   4.673
   85    HB3  LYS  10           HB2      LYS  10  -1.264   1.032   5.501
   86    HG2  LYS  10           HG3      LYS  10  -3.809   2.522   4.599
   87    HG3  LYS  10           HG2      LYS  10  -3.284   2.069   6.211
   88    HD2  LYS  10           HD2      LYS  10  -1.335   3.671   6.067
   89    HD3  LYS  10           HD3      LYS  10  -1.920   4.202   4.484
   90    HE2  LYS  10           HE2      LYS  10  -4.113   4.938   5.523
   91    HE3  LYS  10           HE3      LYS  10  -3.523   4.438   7.116
   92    HZ2  LYS  10           HZ2      LYS  10  -1.693   6.020   6.857
   93    HZ3  LYS  10           HZ3      LYS  10  -2.237   6.480   5.386
   94    H    THR  11           H        THR  11  -1.271  -0.616   1.891
   95    HA   THR  11           HA       THR  11   1.230  -1.707   2.864
   96    HB   THR  11           HB       THR  11  -0.364  -2.443   0.346
   97    HG1  THR  11           HG1      THR  11  -1.091  -4.087   1.707
   98   HG21  THR  11          HG21      THR  11   0.746  -4.679   0.509
   99   HG22  THR  11          HG22      THR  11   1.945  -3.410   0.172
  100   HG23  THR  11          HG23      THR  11   1.802  -4.084   1.819
  101    H    ASN  12           H        ASN  12   0.472  -0.213  -0.282
  102    HA   ASN  12           HA       ASN  12   3.206   0.012  -1.182
  103    HB2  ASN  12           HB3      ASN  12   1.021   0.044  -2.616
  104    HB3  ASN  12           HB2      ASN  12   0.793   1.702  -2.149
  105   HD21  ASN  12          HD21      ASN  12   2.642  -0.484  -4.134
  106   HD22  ASN  12          HD22      ASN  12   3.521   0.815  -5.087
  107    H    GLU  13           H        GLU  13   1.178   2.441   0.574
  108    HA   GLU  13           HA       GLU  13   3.031   4.641   0.350
  109    HB2  GLU  13           HB3      GLU  13   0.591   4.825   0.845
  110    HB3  GLU  13           HB2      GLU  13   0.841   4.125   2.444
  111    HG2  GLU  13           HG3      GLU  13   2.240   6.151   3.080
  112    HG3  GLU  13           HG2      GLU  13   2.042   6.798   1.453
  113    HE2  GLU  13           HE2      GLU  13   0.429   5.801   4.277
  114    H    ASN  14           H        ASN  14   2.748   2.180   2.895
  115    HA   ASN  14           HA       ASN  14   4.944   3.341   4.480
  116    HB2  ASN  14           HB2      ASN  14   2.898   2.386   5.536
  117    HB3  ASN  14           HB3      ASN  14   3.322   0.787   4.969
  118   HD21  ASN  14          HD22      ASN  14   4.740  -0.400   6.258
  119   HD22  ASN  14          HD21      ASN  14   5.520   0.263   7.781
  120    H    ASN  15           H        ASN  15   4.550   0.060   3.142
  121    HA   ASN  15           HA       ASN  15   7.382  -0.581   3.406
  122    HB2  ASN  15           HB2      ASN  15   5.130  -2.154   1.977
  123    HB3  ASN  15           HB3      ASN  15   6.739  -2.777   2.157
  124   HD21  ASN  15          HD21      ASN  15   7.524  -3.278   4.320
  125   HD22  ASN  15          HD22      ASN  15   6.308  -3.632   5.647
  126    H    ASP  16           H        ASP  16   5.760   0.866   0.695
  127    HA   ASP  16           HA       ASP  16   8.063   0.233  -1.098
  128    HB2  ASP  16           HB3      ASP  16   6.003  -1.010  -1.912
  129    HB3  ASP  16           HB2      ASP  16   5.193   0.526  -2.146
  130    HD2  ASP  16           HD2      ASP  16   5.608   1.621  -3.819
  131    H    LYS  17           H        LYS  17   8.364   2.106   0.551
  132    HA   LYS  17           HA       LYS  17   8.313   4.588  -1.105
  133    HB2  LYS  17           HB2      LYS  17   6.793   4.295   1.252
  134    HB3  LYS  17           HB3      LYS  17   8.222   5.060   1.876
  135    HG2  LYS  17           HG2      LYS  17   6.703   6.809   1.382
  136    HG3  LYS  17           HG3      LYS  17   7.923   6.922   0.117
  137    HD2  LYS  17           HD2      LYS  17   6.363   5.704  -1.487
  138    HD3  LYS  17           HD3      LYS  17   5.211   5.468  -0.191
  139    HE2  LYS  17           HE2      LYS  17   4.369   7.290  -1.514
  140    HE3  LYS  17           HE3      LYS  17   4.904   7.998   0.008
  141    HZ2  LYS  17           HZ2      LYS  17   6.938   8.708  -1.099
  142    HZ3  LYS  17           HZ3      LYS  17   5.617   9.309  -1.852
  143    H    SER  18           H        SER  18   9.856   3.500   1.881
  144    HA   SER  18           HA       SER  18  12.456   4.794   1.122
  145    HB2  SER  18           HB2      SER  18  11.672   4.544   3.656
  146    HB3  SER  18           HB3      SER  18  12.037   2.832   3.489
  147    HG   SER  18           HG       SER  18  13.828   4.981   3.018
  148    H    GLU  19           H        GLU  19  11.468   1.362   1.284
  149    HA   GLU  19           HA       GLU  19  13.924   0.621  -0.344
  150    HB2  GLU  19           HB3      GLU  19  14.226  -0.223   1.975
  151    HB3  GLU  19           HB2      GLU  19  12.669  -1.049   1.940
  152    HG2  GLU  19           HG2      GLU  19  13.451  -2.528   0.084
  153    HG3  GLU  19           HG3      GLU  19  14.993  -1.673   0.012
  154    HE2  GLU  19           HE2      GLU  19  16.363  -3.198   2.805
  155    H    LEU  20           H        LEU  20  12.600   1.062  -2.095
  156    HA   LEU  20           HA       LEU  20  10.077   0.039  -2.744
  157    HB2  LEU  20           HB2      LEU  20  12.336   0.548  -4.784
  158    HB3  LEU  20           HB3      LEU  20  10.641   0.411  -5.104
  159    HG   LEU  20           HG       LEU  20  11.199   2.665  -5.302
  160   HD11  LEU  20          HD21      LEU  20   9.631   2.434  -2.672
  161   HD12  LEU  20          HD22      LEU  20   9.607   3.813  -3.795
  162   HD13  LEU  20          HD23      LEU  20   8.948   2.245  -4.306
  163   HD21  LEU  20          HD11      LEU  20  12.248   2.884  -2.419
  164   HD22  LEU  20          HD12      LEU  20  13.271   2.765  -3.874
  165   HD23  LEU  20          HD13      LEU  20  12.186   4.152  -3.657
  166    H    ILE  21           H        ILE  21  13.118  -1.543  -3.696
  167    HA   ILE  21           HA       ILE  21  11.737  -4.222  -3.635
  168    HB   ILE  21           HB       ILE  21  11.403  -3.523  -5.959
  169   HG12  ILE  21          HG11      ILE  21  13.353  -5.897  -5.819
  170   HG13  ILE  21          HG12      ILE  21  11.703  -5.951  -5.226
  171   HG21  ILE  21          HG21      ILE  21  13.474  -2.114  -6.362
  172   HG22  ILE  21          HG22      ILE  21  14.455  -3.598  -6.438
  173   HG23  ILE  21          HG23      ILE  21  13.186  -3.297  -7.645
  174   HD11  ILE  21          HD11      ILE  21  12.483  -5.480  -8.171
  175   HD12  ILE  21          HD12      ILE  21  11.767  -6.944  -7.463
  176   HD13  ILE  21          HD13      ILE  21  10.812  -5.445  -7.542
  Start of MODEL   10
    1    H1   TYR   1           H        TYR   1 -17.314  -5.081   3.326
    2    HA   TYR   1           HA       TYR   1 -18.878  -3.639   1.100
    3    HB2  TYR   1           HB2      TYR   1 -17.499  -2.301   3.514
    4    HB3  TYR   1           HB3      TYR   1 -18.031  -1.452   2.070
    5    HD1  TYR   1           HD3      TYR   1 -20.506  -1.295   1.494
    6    HD2  TYR   1           HD2      TYR   1 -19.166  -2.954   5.232
    7    HE1  TYR   1           HE3      TYR   1 -22.758  -1.017   2.434
    8    HE2  TYR   1           HE2      TYR   1 -21.422  -2.671   6.159
    9    HH   TYR   1           HH       TYR   1 -24.067  -1.287   4.208
   10    H    ASP   2           H        ASP   2 -17.658  -3.917  -0.650
   11    HA   ASP   2           HA       ASP   2 -14.698  -4.228  -0.508
   12    HB2  ASP   2           HB3      ASP   2 -14.892  -4.792  -2.870
   13    HB3  ASP   2           HB2      ASP   2 -16.153  -5.705  -2.097
   14    HD2  ASP   2           HD2      ASP   2 -15.353  -3.339  -4.265
   15    H    ASN   3           H        ASN   3 -13.153  -2.823  -1.171
   16    HA   ASN   3           HA       ASN   3 -13.632  -0.399  -2.622
   17    HB2  ASN   3           HB2      ASN   3 -14.544   0.409  -0.376
   18    HB3  ASN   3           HB3      ASN   3 -13.011   0.049   0.379
   19   HD21  ASN   3          HD22      ASN   3 -14.600   2.121  -2.028
   20   HD22  ASN   3          HD21      ASN   3 -13.349   3.460  -1.939
   21    H    ILE   4           H        ILE   4 -11.953  -0.874  -3.842
   22    HA   ILE   4           HA       ILE   4  -9.569  -2.240  -3.151
   23    HB   ILE   4           HB       ILE   4 -10.501  -2.010  -5.414
   24   HG12  ILE   4          HG11      ILE   4  -7.505  -1.336  -5.393
   25   HG13  ILE   4          HG12      ILE   4  -8.151  -2.888  -4.890
   26   HG21  ILE   4          HG21      ILE   4 -10.855   0.487  -5.488
   27   HG22  ILE   4          HG22      ILE   4  -9.960  -0.110  -6.898
   28   HG23  ILE   4          HG23      ILE   4  -9.093   0.731  -5.584
   29   HD11  ILE   4          HD11      ILE   4  -9.169  -3.250  -7.179
   30   HD12  ILE   4          HD12      ILE   4  -7.401  -3.051  -7.220
   31   HD13  ILE   4          HD13      ILE   4  -8.452  -1.709  -7.724
   32    H    LEU   5           H        LEU   5 -10.126   1.068  -2.457
   33    HA   LEU   5           HA       LEU   5  -7.305   1.909  -2.429
   34    HB2  LEU   5           HB2      LEU   5  -9.270   3.443  -3.047
   35    HB3  LEU   5           HB3      LEU   5  -9.805   3.433  -1.401
   36    HG   LEU   5           HG       LEU   5  -8.618   5.469  -2.276
   37   HD11  LEU   5          HD11      LEU   5  -8.938   5.150   0.171
   38   HD12  LEU   5          HD12      LEU   5  -7.493   6.104  -0.215
   39   HD13  LEU   5          HD13      LEU   5  -7.323   4.417   0.303
   40   HD21  LEU   5          HD21      LEU   5  -5.981   3.904  -2.023
   41   HD22  LEU   5          HD22      LEU   5  -6.745   4.424  -3.545
   42   HD23  LEU   5          HD23      LEU   5  -6.161   5.636  -2.386
   43    H    VAL   6           H        VAL   6  -9.479   0.704   0.098
   44    HA   VAL   6           HA       VAL   6  -7.933   1.666   2.382
   45    HB   VAL   6           HB       VAL   6  -9.668  -0.886   2.432
   46   HG11  VAL   6          HG21      VAL   6  -8.195  -0.651   4.458
   47   HG12  VAL   6          HG22      VAL   6  -9.898  -0.401   4.868
   48   HG13  VAL   6          HG23      VAL   6  -8.805   0.999   4.724
   49   HG21  VAL   6          HG11      VAL   6 -11.069   0.911   1.600
   50   HG22  VAL   6          HG12      VAL   6 -10.553   1.999   2.915
   51   HG23  VAL   6          HG13      VAL   6 -11.511   0.523   3.266
   52    H    LYS   7           H        LYS   7  -7.708  -1.461   0.722
   53    HA   LYS   7           HA       LYS   7  -5.241  -2.205   2.235
   54    HB2  LYS   7           HB3      LYS   7  -5.073  -4.245   0.986
   55    HB3  LYS   7           HB2      LYS   7  -6.672  -4.033   1.658
   56    HG2  LYS   7           HG2      LYS   7  -7.551  -3.346  -0.580
   57    HG3  LYS   7           HG3      LYS   7  -5.971  -3.557  -1.319
   58    HD2  LYS   7           HD2      LYS   7  -7.590  -5.827   0.037
   59    HD3  LYS   7           HD3      LYS   7  -7.659  -5.419  -1.660
   60    HE2  LYS   7           HE3      LYS   7  -6.206  -7.252  -1.651
   61    HE3  LYS   7           HE2      LYS   7  -5.118  -5.884  -1.851
   62    HZ2  LYS   7           HZ2      LYS   7  -4.606  -6.025   0.514
   63    HZ3  LYS   7           HZ3      LYS   7  -4.279  -7.433  -0.249
   64    H    MET   8           H        MET   8  -5.722  -0.941  -1.085
   65    HA   MET   8           HA       MET   8  -2.893  -1.200  -1.792
   66    HB2  MET   8           HB3      MET   8  -4.959   0.375  -3.268
   67    HB3  MET   8           HB2      MET   8  -3.337   0.039  -3.818
   68    HG2  MET   8           HG2      MET   8  -5.700  -1.886  -3.690
   69    HG3  MET   8           HG3      MET   8  -4.543  -1.538  -4.975
   70    HE1  MET   8           HE1      MET   8  -5.473  -4.509  -4.096
   71    HE2  MET   8           HE2      MET   8  -3.907  -5.365  -4.210
   72    HE3  MET   8           HE3      MET   8  -4.363  -4.171  -5.461
   73    H    PHE   9           H        PHE   9  -4.476   1.306   0.032
   74    HA   PHE   9           HA       PHE   9  -2.640   3.510  -0.717
   75    HB2  PHE   9           HB3      PHE   9  -4.928   3.940   0.162
   76    HB3  PHE   9           HB2      PHE   9  -4.523   3.223   1.700
   77    HD1  PHE   9           HD2      PHE   9  -3.949   6.159  -0.546
   78    HD2  PHE   9           HD1      PHE   9  -3.166   4.514   3.354
   79    HE1  PHE   9           HE2      PHE   9  -3.172   8.359   0.239
   80    HE2  PHE   9           HE1      PHE   9  -2.387   6.718   4.118
   81    HZ   PHE   9           HZ       PHE   9  -2.388   8.643   2.566
   82    H    LYS  10           H        LYS  10  -2.903   1.603   2.272
   83    HA   LYS  10           HA       LYS  10  -0.184   2.375   3.144
   84    HB2  LYS  10           HB2      LYS  10  -1.966   0.209   4.403
   85    HB3  LYS  10           HB3      LYS  10  -0.401   0.561   5.039
   86    HG2  LYS  10           HG2      LYS  10  -2.732   2.567   4.826
   87    HG3  LYS  10           HG3      LYS  10  -2.089   1.759   6.240
   88    HD2  LYS  10           HD3      LYS  10   0.101   3.001   6.005
   89    HD3  LYS  10           HD2      LYS  10  -0.571   3.886   4.630
   90    HE2  LYS  10           HE3      LYS  10  -2.416   4.811   6.103
   91    HE3  LYS  10           HE2      LYS  10  -1.721   3.964   7.495
   92    HZ2  LYS  10           HZ2      LYS  10   0.310   5.228   7.201
   93    HZ3  LYS  10           HZ3      LYS  10  -0.971   6.223   7.410
   94    H    THR  11           H        THR  11  -1.187  -0.450   1.240
   95    HA   THR  11           HA       THR  11   1.247  -1.974   1.645
   96    HB   THR  11           HB       THR  11  -0.790  -2.099  -0.643
   97    HG1  THR  11           HG1      THR  11  -1.516  -2.567   1.463
   98   HG21  THR  11          HG21      THR  11   0.038  -4.424  -1.042
   99   HG22  THR  11          HG22      THR  11   1.312  -3.237  -1.396
  100   HG23  THR  11          HG23      THR  11   1.366  -4.174   0.123
  101    H    ASN  12           H        ASN  12   0.277   0.078  -1.108
  102    HA   ASN  12           HA       ASN  12   2.882   0.148  -2.351
  103    HB2  ASN  12           HB3      ASN  12   0.579   0.631  -3.453
  104    HB3  ASN  12           HB2      ASN  12   0.576   2.203  -2.709
  105   HD21  ASN  12          HD22      ASN  12   1.799   3.825  -3.744
  106   HD22  ASN  12          HD21      ASN  12   2.753   3.531  -5.283
  107    H    GLU  13           H        GLU  13   1.475   2.435   0.054
  108    HA   GLU  13           HA       GLU  13   3.490   4.495  -0.183
  109    HB2  GLU  13           HB2      GLU  13   1.274   4.901   0.738
  110    HB3  GLU  13           HB3      GLU  13   1.538   3.815   2.090
  111    HG2  GLU  13           HG2      GLU  13   3.224   6.369   1.652
  112    HG3  GLU  13           HG3      GLU  13   1.663   6.401   2.450
  113    HE2  GLU  13           HE2      GLU  13   1.368   4.945   4.160
  114    H    ASN  14           H        ASN  14   3.150   1.980   2.302
  115    HA   ASN  14           HA       ASN  14   5.699   2.494   3.572
  116    HB2  ASN  14           HB3      ASN  14   3.939  -0.008   3.789
  117    HB3  ASN  14           HB2      ASN  14   5.373   0.240   4.753
  118   HD21  ASN  14          HD21      ASN  14   5.398   2.009   6.308
  119   HD22  ASN  14          HD22      ASN  14   3.807   2.647   6.961
  120    H    ASN  15           H        ASN  15   4.894  -0.056   1.224
  121    HA   ASN  15           HA       ASN  15   7.528  -1.255   1.178
  122    HB2  ASN  15           HB2      ASN  15   5.304  -2.334   0.362
  123    HB3  ASN  15           HB3      ASN  15   5.405  -1.361  -1.078
  124   HD21  ASN  15          HD21      ASN  15   6.918  -4.009   0.706
  125   HD22  ASN  15          HD22      ASN  15   7.814  -4.692  -0.742
  126    H    ASP  16           H        ASP  16   6.320   1.519  -0.630
  127    HA   ASP  16           HA       ASP  16   8.804   1.606  -2.314
  128    HB2  ASP  16           HB3      ASP  16   6.149   3.025  -2.928
  129    HB3  ASP  16           HB2      ASP  16   7.623   3.207  -3.842
  130    HD2  ASP  16           HD2      ASP  16   5.249   0.035  -4.418
  131    H    LYS  17           H        LYS  17   8.874   2.298   0.413
  132    HA   LYS  17           HA       LYS  17  10.036   5.010   0.184
  133    HB2  LYS  17           HB2      LYS  17   7.704   5.350   0.906
  134    HB3  LYS  17           HB3      LYS  17   7.860   4.193   2.212
  135    HG2  LYS  17           HG2      LYS  17   9.520   6.800   2.094
  136    HG3  LYS  17           HG3      LYS  17   7.878   6.736   2.723
  137    HD2  LYS  17           HD3      LYS  17   8.618   4.892   4.354
  138    HD3  LYS  17           HD2      LYS  17  10.278   5.179   3.842
  139    HE2  LYS  17           HE2      LYS  17  10.122   7.603   4.582
  140    HE3  LYS  17           HE3      LYS  17   8.452   7.334   5.108
  141    HZ2  LYS  17           HZ2      LYS  17   9.965   7.140   6.937
  142    HZ3  LYS  17           HZ3      LYS  17   9.245   5.695   6.680
  143    H    SER  18           H        SER  18   9.486   2.372   2.498
  144    HA   SER  18           HA       SER  18  12.182   2.819   3.764
  145    HB2  SER  18           HB3      SER  18  10.050   2.085   5.181
  146    HB3  SER  18           HB2      SER  18  10.234   0.507   4.431
  147    HG   SER  18           HG       SER  18  12.368   0.451   5.248
  148    H    GLU  19           H        GLU  19  10.818  -0.031   2.054
  149    HA   GLU  19           HA       GLU  19  13.649  -0.789   1.237
  150    HB2  GLU  19           HB3      GLU  19  13.009  -2.122   3.247
  151    HB3  GLU  19           HB2      GLU  19  11.541  -2.696   2.459
  152    HG2  GLU  19           HG2      GLU  19  12.885  -3.880   0.730
  153    HG3  GLU  19           HG3      GLU  19  14.383  -3.224   1.396
  154    HE2  GLU  19           HE2      GLU  19  14.569  -5.428   4.062
  155    H    LEU  20           H        LEU  20  13.132   0.204  -0.641
  156    HA   LEU  20           HA       LEU  20  10.974  -0.969  -2.469
  157    HB2  LEU  20           HB3      LEU  20  11.412   1.663  -2.208
  158    HB3  LEU  20           HB2      LEU  20  12.820   1.399  -3.196
  159    HG   LEU  20           HG       LEU  20   9.930   0.689  -4.016
  160   HD11  LEU  20          HD11      LEU  20  11.587   3.182  -4.790
  161   HD12  LEU  20          HD12      LEU  20  10.226   3.162  -3.646
  162   HD13  LEU  20          HD13      LEU  20   9.942   2.791  -5.354
  163   HD21  LEU  20          HD21      LEU  20  11.497  -0.616  -5.432
  164   HD22  LEU  20          HD22      LEU  20  10.779   0.678  -6.394
  165   HD23  LEU  20          HD23      LEU  20  12.449   0.846  -5.798
  166    H    ILE  21           H        ILE  21  14.363  -0.071  -3.131
  167    HA   ILE  21           HA       ILE  21  14.930  -2.895  -4.022
  168    HB   ILE  21           HB       ILE  21  14.029  -1.814  -6.065
  169   HG12  ILE  21          HG12      ILE  21  15.881  -2.416  -7.673
  170   HG13  ILE  21          HG11      ILE  21  16.995  -2.588  -6.328
  171   HG21  ILE  21          HG21      ILE  21  15.203  -0.093  -7.360
  172   HG22  ILE  21          HG22      ILE  21  14.840   0.561  -5.754
  173   HG23  ILE  21          HG23      ILE  21  16.494   0.037  -6.144
  174   HD11  ILE  21          HD11      ILE  21  15.621  -4.523  -5.440
  175   HD12  ILE  21          HD12      ILE  21  14.422  -4.271  -6.738
  176   HD13  ILE  21          HD13      ILE  21  16.078  -4.789  -7.135
  Start of MODEL   11
    1    H1   TYR   1           H        TYR   1 -19.926  -0.017  -1.054
    2    HA   TYR   1           HA       TYR   1 -19.041  -2.946  -1.077
    3    HB2  TYR   1           HB3      TYR   1 -18.436  -0.975  -3.377
    4    HB3  TYR   1           HB2      TYR   1 -17.604  -2.503  -3.124
    5    HD1  TYR   1           HD3      TYR   1 -18.888  -4.716  -3.293
    6    HD2  TYR   1           HD2      TYR   1 -20.652  -0.968  -4.463
    7    HE1  TYR   1           HE3      TYR   1 -20.599  -5.916  -4.585
    8    HE2  TYR   1           HE2      TYR   1 -22.357  -2.181  -5.750
    9    HH   TYR   1           HH       TYR   1 -22.386  -5.744  -5.891
   10    H    ASP   2           H        ASP   2 -17.702  -2.923   0.543
   11    HA   ASP   2           HA       ASP   2 -15.915  -0.537   1.159
   12    HB2  ASP   2           HB3      ASP   2 -17.289  -1.652   3.001
   13    HB3  ASP   2           HB2      ASP   2 -16.257  -3.070   2.884
   14    HD2  ASP   2           HD2      ASP   2 -16.455   0.222   3.589
   15    H    ASN   3           H        ASN   3 -13.934  -0.501   0.242
   16    HA   ASN   3           HA       ASN   3 -12.272  -2.958  -0.061
   17    HB2  ASN   3           HB2      ASN   3 -12.847  -1.041  -2.390
   18    HB3  ASN   3           HB3      ASN   3 -11.599  -2.264  -2.383
   19   HD21  ASN   3          HD22      ASN   3 -14.800  -1.725  -3.232
   20   HD22  ASN   3          HD21      ASN   3 -15.249  -3.478  -3.534
   21    H    ILE   4           H        ILE   4 -10.831  -0.765  -1.518
   22    HA   ILE   4           HA       ILE   4  -8.881   0.420  -1.255
   23    HB   ILE   4           HB       ILE   4 -10.684   1.989  -0.646
   24   HG12  ILE   4          HG12      ILE   4  -7.920   2.855   0.401
   25   HG13  ILE   4          HG11      ILE   4  -8.256   2.576  -1.298
   26   HG21  ILE   4          HG21      ILE   4 -11.216   1.431   1.702
   27   HG22  ILE   4          HG22      ILE   4  -9.552   1.803   2.225
   28   HG23  ILE   4          HG23      ILE   4 -10.638   3.091   1.643
   29   HD11  ILE   4          HD11      ILE   4 -10.039   4.371  -1.285
   30   HD12  ILE   4          HD12      ILE   4  -9.631   4.736   0.414
   31   HD13  ILE   4          HD13      ILE   4  -8.419   4.971  -0.862
   32    H    LEU   5           H        LEU   5  -9.437  -1.265   1.736
   33    HA   LEU   5           HA       LEU   5  -6.766  -0.758   2.797
   34    HB2  LEU   5           HB3      LEU   5  -8.801  -2.959   3.567
   35    HB3  LEU   5           HB2      LEU   5  -7.326  -2.698   4.457
   36    HG   LEU   5           HG       LEU   5  -9.545  -0.581   4.168
   37   HD11  LEU   5          HD11      LEU   5 -10.145  -1.153   6.521
   38   HD12  LEU   5          HD12      LEU   5 -10.330  -2.565   5.465
   39   HD13  LEU   5          HD13      LEU   5  -8.921  -2.447   6.548
   40   HD21  LEU   5          HD21      LEU   5  -7.050  -0.586   6.003
   41   HD22  LEU   5          HD22      LEU   5  -7.337   0.509   4.628
   42   HD23  LEU   5          HD23      LEU   5  -8.375   0.604   6.058
   43    H    VAL   6           H        VAL   6  -8.015  -3.534   0.975
   44    HA   VAL   6           HA       VAL   6  -5.594  -5.160   1.156
   45    HB   VAL   6           HB       VAL   6  -7.586  -5.286  -1.197
   46   HG11  VAL   6          HG21      VAL   6  -5.485  -6.600  -1.601
   47   HG12  VAL   6          HG22      VAL   6  -5.697  -7.448  -0.050
   48   HG13  VAL   6          HG23      VAL   6  -6.872  -7.674  -1.372
   49   HG21  VAL   6          HG11      VAL   6  -8.789  -7.063   0.037
   50   HG22  VAL   6          HG12      VAL   6  -8.907  -5.497   0.853
   51   HG23  VAL   6          HG13      VAL   6  -7.796  -6.737   1.495
   52    H    LYS   7           H        LYS   7  -6.565  -2.778  -1.269
   53    HA   LYS   7           HA       LYS   7  -4.094  -2.979  -2.903
   54    HB2  LYS   7           HB3      LYS   7  -6.048  -0.595  -2.816
   55    HB3  LYS   7           HB2      LYS   7  -4.831  -0.885  -4.038
   56    HG2  LYS   7           HG3      LYS   7  -7.423  -2.501  -3.611
   57    HG3  LYS   7           HG2      LYS   7  -7.049  -1.370  -4.893
   58    HD2  LYS   7           HD2      LYS   7  -5.198  -2.880  -5.735
   59    HD3  LYS   7           HD3      LYS   7  -5.588  -4.051  -4.469
   60    HE2  LYS   7           HE3      LYS   7  -7.935  -4.301  -5.411
   61    HE3  LYS   7           HE2      LYS   7  -7.551  -3.130  -6.681
   62    HZ2  LYS   7           HZ2      LYS   7  -5.778  -4.621  -7.426
   63    HZ3  LYS   7           HZ3      LYS   7  -6.132  -5.703  -6.253
   64    H    MET   8           H        MET   8  -5.013  -0.677  -0.311
   65    HA   MET   8           HA       MET   8  -2.519   0.844  -0.512
   66    HB2  MET   8           HB2      MET   8  -4.535   0.925   1.692
   67    HB3  MET   8           HB3      MET   8  -3.159   1.988   1.553
   68    HG2  MET   8           HG2      MET   8  -5.709   2.021  -0.115
   69    HG3  MET   8           HG3      MET   8  -4.838   3.318   0.692
   70    HE1  MET   8           HE1      MET   8  -1.864   3.428  -0.200
   71    HE2  MET   8           HE2      MET   8  -1.969   4.316  -1.748
   72    HE3  MET   8           HE3      MET   8  -2.979   4.821  -0.361
   73    H    PHE   9           H        PHE   9  -3.098  -2.182   1.069
   74    HA   PHE   9           HA       PHE   9  -1.121  -1.912   3.241
   75    HB2  PHE   9           HB2      PHE   9  -2.991  -3.571   3.273
   76    HB3  PHE   9           HB3      PHE   9  -2.299  -4.432   1.924
   77    HD1  PHE   9           HD1      PHE   9  -1.768  -3.508   5.533
   78    HD2  PHE   9           HD2      PHE   9  -0.460  -6.036   2.303
   79    HE1  PHE   9           HE1      PHE   9  -0.463  -4.872   7.113
   80    HE2  PHE   9           HE2      PHE   9   0.838  -7.385   3.898
   81    HZ   PHE   9           HZ       PHE   9   0.840  -6.809   6.302
   82    H    LYS  10           H        LYS  10  -0.909  -3.686   0.172
   83    HA   LYS  10           HA       LYS  10   2.039  -3.893   0.314
   84    HB2  LYS  10           HB2      LYS  10   0.236  -4.332  -2.209
   85    HB3  LYS  10           HB3      LYS  10   1.916  -4.748  -2.199
   86    HG2  LYS  10           HG3      LYS  10   1.581  -6.498  -0.447
   87    HG3  LYS  10           HG2      LYS  10  -0.117  -6.048  -0.274
   88    HD2  LYS  10           HD2      LYS  10  -0.546  -6.654  -2.669
   89    HD3  LYS  10           HD3      LYS  10   1.140  -7.092  -2.898
   90    HE2  LYS  10           HE3      LYS  10  -0.774  -8.476  -0.887
   91    HE3  LYS  10           HE2      LYS  10  -0.465  -9.045  -2.525
   92    HZ2  LYS  10           HZ2      LYS  10   0.893 -10.213  -0.970
   93    HZ3  LYS  10           HZ3      LYS  10   1.851  -9.351  -1.976
   94    H    THR  11           H        THR  11   0.018  -1.476  -1.339
   95    HA   THR  11           HA       THR  11   2.118  -0.283  -2.916
   96    HB   THR  11           HB       THR  11  -0.442   1.020  -1.832
   97    HG1  THR  11           HG1      THR  11   0.184  -0.219  -4.302
   98   HG21  THR  11          HG21      THR  11   1.325   1.891  -4.212
   99   HG22  THR  11          HG22      THR  11  -0.272   2.565  -3.792
  100   HG23  THR  11          HG23      THR  11   1.104   2.799  -2.692
  101    H    ASN  12           H        ASN  12   0.864   0.731   0.260
  102    HA   ASN  12           HA       ASN  12   2.874   2.739   0.772
  103    HB2  ASN  12           HB2      ASN  12   0.534   2.534   1.866
  104    HB3  ASN  12           HB3      ASN  12   1.122   1.221   2.845
  105   HD21  ASN  12          HD22      ASN  12   2.232   1.789   4.735
  106   HD22  ASN  12          HD21      ASN  12   2.582   3.525   5.216
  107    H    GLU  13           H        GLU  13   2.858  -0.754   1.731
  108    HA   GLU  13           HA       GLU  13   5.212  -0.586   3.408
  109    HB2  GLU  13           HB2      GLU  13   3.511  -2.384   3.612
  110    HB3  GLU  13           HB3      GLU  13   3.937  -3.008   2.029
  111    HG2  GLU  13           HG2      GLU  13   4.910  -4.431   3.744
  112    HG3  GLU  13           HG3      GLU  13   6.208  -3.668   2.851
  113    HE2  GLU  13           HE2      GLU  13   5.566  -2.880   6.777
  114    H    ASN  14           H        ASN  14   4.882  -1.807   0.082
  115    HA   ASN  14           HA       ASN  14   7.703  -2.230  -0.362
  116    HB2  ASN  14           HB3      ASN  14   5.472  -1.953  -2.440
  117    HB3  ASN  14           HB2      ASN  14   7.121  -2.323  -2.874
  118   HD21  ASN  14          HD21      ASN  14   8.080  -4.334  -2.070
  119   HD22  ASN  14          HD22      ASN  14   6.968  -5.748  -1.709
  120    H    ASN  15           H        ASN  15   5.744   0.572  -1.361
  121    HA   ASN  15           HA       ASN  15   8.056   1.986  -2.527
  122    HB2  ASN  15           HB3      ASN  15   5.200   3.025  -1.970
  123    HB3  ASN  15           HB2      ASN  15   6.440   4.002  -2.688
  124   HD21  ASN  15          HD22      ASN  15   7.222   3.439  -4.831
  125   HD22  ASN  15          HD21      ASN  15   6.156   2.439  -5.940
  126    H    ASP  16           H        ASP  16   5.972   2.935   0.205
  127    HA   ASP  16           HA       ASP  16   6.454   4.117   2.170
  128    HB2  ASP  16           HB2      ASP  16   7.694   1.957   2.628
  129    HB3  ASP  16           HB3      ASP  16   9.172   2.748   2.120
  130    HD2  ASP  16           HD2      ASP  16   6.702   2.559   4.379
  131    H    LYS  17           H        LYS  17   6.348   5.765   0.390
  132    HA   LYS  17           HA       LYS  17   6.688   7.929  -0.179
  133    HB2  LYS  17           HB2      LYS  17   7.471   8.348   2.120
  134    HB3  LYS  17           HB3      LYS  17   9.090   7.930   1.637
  135    HG2  LYS  17           HG3      LYS  17   8.865  10.370   1.811
  136    HG3  LYS  17           HG2      LYS  17   9.175   9.968   0.126
  137    HD2  LYS  17           HD3      LYS  17   6.727  10.188  -0.408
  138    HD3  LYS  17           HD2      LYS  17   6.356  10.470   1.293
  139    HE2  LYS  17           HE3      LYS  17   7.758  12.606   1.237
  140    HE3  LYS  17           HE2      LYS  17   8.128  12.313  -0.469
  141    HZ2  LYS  17           HZ2      LYS  17   6.305  13.828  -0.239
  142    HZ3  LYS  17           HZ3      LYS  17   5.778  12.463  -0.969
  143    H    SER  18           H        SER  18   9.758   6.164  -0.349
  144    HA   SER  18           HA       SER  18  10.012   6.981  -3.299
  145    HB2  SER  18           HB2      SER  18  11.776   8.266  -1.768
  146    HB3  SER  18           HB3      SER  18  12.430   6.691  -1.365
  147    HG   SER  18           HG       SER  18  12.730   6.313  -3.603
  148    H    GLU  19           H        GLU  19  12.199   4.719  -1.674
  149    HA   GLU  19           HA       GLU  19  10.525   2.322  -2.324
  150    HB2  GLU  19           HB3      GLU  19  11.570   2.898  -4.516
  151    HB3  GLU  19           HB2      GLU  19  13.178   2.931  -3.799
  152    HG2  GLU  19           HG3      GLU  19  13.027   0.502  -3.261
  153    HG3  GLU  19           HG2      GLU  19  11.359   0.451  -3.839
  154    HE2  GLU  19           HE2      GLU  19  14.511   0.479  -6.390
  155    H    LEU  20           H        LEU  20  10.660   2.058   0.013
  156    HA   LEU  20           HA       LEU  20  13.430   1.635   1.188
  157    HB2  LEU  20           HB2      LEU  20  11.468   2.824   2.541
  158    HB3  LEU  20           HB3      LEU  20  10.767   1.227   2.660
  159    HG   LEU  20           HG       LEU  20  12.898   0.405   3.816
  160   HD11  LEU  20          HD11      LEU  20  14.431   2.119   4.838
  161   HD12  LEU  20          HD12      LEU  20  13.623   3.413   3.919
  162   HD13  LEU  20          HD13      LEU  20  14.543   2.146   3.073
  163   HD21  LEU  20          HD21      LEU  20  10.827   1.021   5.086
  164   HD22  LEU  20          HD22      LEU  20  11.398   2.702   5.224
  165   HD23  LEU  20          HD23      LEU  20  12.296   1.383   6.012
  166    H    ILE  21           H        ILE  21  10.856  -0.638   2.020
  167    HA   ILE  21           HA       ILE  21  12.376  -2.869   0.568
  168    HB   ILE  21           HB       ILE  21  11.532  -3.092   3.513
  169   HG12  ILE  21          HG12      ILE  21  14.406  -3.152   2.379
  170   HG13  ILE  21          HG11      ILE  21  13.688  -1.736   3.117
  171   HG21  ILE  21          HG21      ILE  21  12.940  -5.184   1.708
  172   HG22  ILE  21          HG22      ILE  21  12.556  -5.389   3.434
  173   HG23  ILE  21          HG23      ILE  21  11.252  -5.271   2.257
  174   HD11  ILE  21          HD11      ILE  21  14.229  -4.361   4.614
  175   HD12  ILE  21          HD12      ILE  21  13.381  -2.950   5.305
  176   HD13  ILE  21          HD13      ILE  21  15.077  -2.811   4.785
  Start of MODEL   12
    1    H1   TYR   1           H        TYR   1 -19.258  -3.027   3.001
    2    HA   TYR   1           HA       TYR   1 -18.070  -0.723   1.381
    3    HB2  TYR   1           HB3      TYR   1 -16.976  -1.593   4.135
    4    HB3  TYR   1           HB2      TYR   1 -16.094  -0.605   2.978
    5    HD1  TYR   1           HD3      TYR   1 -16.984   1.716   2.326
    6    HD2  TYR   1           HD2      TYR   1 -18.675  -0.540   5.578
    7    HE1  TYR   1           HE3      TYR   1 -18.009   3.761   3.222
    8    HE2  TYR   1           HE2      TYR   1 -19.695   1.512   6.461
    9    HH   TYR   1           HH       TYR   1 -19.262   4.651   4.824
   10    H    ASP   2           H        ASP   2 -17.276  -1.757  -0.283
   11    HA   ASP   2           HA       ASP   2 -15.321  -4.048   0.086
   12    HB2  ASP   2           HB2      ASP   2 -17.610  -5.106  -0.275
   13    HB3  ASP   2           HB3      ASP   2 -17.730  -4.308  -1.833
   14    HD2  ASP   2           HD2      ASP   2 -15.336  -7.525  -1.225
   15    H    ASN   3           H        ASN   3 -13.550  -3.131  -0.792
   16    HA   ASN   3           HA       ASN   3 -13.363  -2.393  -3.514
   17    HB2  ASN   3           HB2      ASN   3 -12.760  -0.081  -3.548
   18    HB3  ASN   3           HB3      ASN   3 -14.400  -0.249  -2.984
   19   HD21  ASN   3          HD22      ASN   3 -11.636   1.456  -2.466
   20   HD22  ASN   3          HD21      ASN   3 -11.979   2.019  -0.754
   21    H    ILE   4           H        ILE   4 -11.587  -3.384  -3.786
   22    HA   ILE   4           HA       ILE   4  -9.568  -4.114  -1.997
   23    HB   ILE   4           HB       ILE   4  -9.995  -5.092  -4.242
   24   HG12  ILE   4          HG11      ILE   4  -7.687  -5.822  -4.810
   25   HG13  ILE   4          HG12      ILE   4  -7.005  -4.621  -3.733
   26   HG21  ILE   4          HG21      ILE   4  -8.860  -4.276  -6.271
   27   HG22  ILE   4          HG22      ILE   4  -8.178  -2.884  -5.386
   28   HG23  ILE   4          HG23      ILE   4  -9.936  -3.012  -5.639
   29   HD11  ILE   4          HD11      ILE   4  -8.852  -6.953  -2.858
   30   HD12  ILE   4          HD12      ILE   4  -7.079  -6.920  -2.712
   31   HD13  ILE   4          HD13      ILE   4  -8.063  -5.794  -1.754
   32    H    LEU   5           H        LEU   5  -9.715  -0.934  -3.224
   33    HA   LEU   5           HA       LEU   5  -6.929  -0.163  -3.080
   34    HB2  LEU   5           HB3      LEU   5  -9.488   1.570  -2.941
   35    HB3  LEU   5           HB2      LEU   5  -7.898   2.262  -3.084
   36    HG   LEU   5           HG       LEU   5  -9.138   0.394  -5.194
   37   HD11  LEU   5          HD11      LEU   5  -9.488   2.459  -6.546
   38   HD12  LEU   5          HD12      LEU   5  -8.873   3.470  -5.214
   39   HD13  LEU   5          HD13      LEU   5 -10.385   2.549  -5.019
   40   HD21  LEU   5          HD21      LEU   5  -6.557   2.098  -5.340
   41   HD22  LEU   5          HD22      LEU   5  -7.287   1.203  -6.696
   42   HD23  LEU   5          HD23      LEU   5  -6.637   0.319  -5.308
   43    H    VAL   6           H        VAL   6  -9.221  -0.452  -0.421
   44    HA   VAL   6           HA       VAL   6  -7.917   1.460   1.384
   45    HB   VAL   6           HB       VAL   6  -9.559  -0.966   2.346
   46   HG11  VAL   6          HG21      VAL   6  -9.985   0.433   4.364
   47   HG12  VAL   6          HG22      VAL   6  -8.246   0.163   4.173
   48   HG13  VAL   6          HG23      VAL   6  -8.950   1.733   3.720
   49   HG21  VAL   6          HG11      VAL   6 -11.517   0.536   2.441
   50   HG22  VAL   6          HG12      VAL   6 -10.598   1.800   1.561
   51   HG23  VAL   6          HG13      VAL   6 -10.970   0.235   0.787
   52    H    LYS   7           H        LYS   7  -7.499  -2.063   1.072
   53    HA   LYS   7           HA       LYS   7  -5.130  -2.074   2.873
   54    HB2  LYS   7           HB3      LYS   7  -4.805  -4.407   2.455
   55    HB3  LYS   7           HB2      LYS   7  -6.472  -4.077   2.859
   56    HG2  LYS   7           HG3      LYS   7  -7.148  -4.313   0.469
   57    HG3  LYS   7           HG2      LYS   7  -5.489  -4.590  -0.034
   58    HD2  LYS   7           HD2      LYS   7  -7.039  -6.407   1.927
   59    HD3  LYS   7           HD3      LYS   7  -6.953  -6.661   0.190
   60    HE2  LYS   7           HE2      LYS   7  -4.425  -6.898   0.321
   61    HE3  LYS   7           HE3      LYS   7  -4.500  -6.691   2.076
   62    HZ2  LYS   7           HZ2      LYS   7  -5.866  -8.843   0.560
   63    HZ3  LYS   7           HZ3      LYS   7  -5.936  -8.649   2.181
   64    H    MET   8           H        MET   8  -5.419  -1.975  -0.695
   65    HA   MET   8           HA       MET   8  -2.547  -2.314  -1.146
   66    HB2  MET   8           HB3      MET   8  -4.570  -1.310  -3.106
   67    HB3  MET   8           HB2      MET   8  -2.907  -1.701  -3.467
   68    HG2  MET   8           HG3      MET   8  -5.200  -3.633  -2.904
   69    HG3  MET   8           HG2      MET   8  -3.983  -3.609  -4.181
   70    HE1  MET   8           HE1      MET   8  -3.823  -6.286  -3.790
   71    HE2  MET   8           HE2      MET   8  -3.296  -7.017  -2.244
   72    HE3  MET   8           HE3      MET   8  -4.895  -6.224  -2.354
   73    H    PHE   9           H        PHE   9  -4.293   0.539  -0.191
   74    HA   PHE   9           HA       PHE   9  -2.417   2.505  -1.396
   75    HB2  PHE   9           HB3      PHE   9  -4.790   3.077  -0.865
   76    HB3  PHE   9           HB2      PHE   9  -4.503   2.846   0.840
   77    HD1  PHE   9           HD1      PHE   9  -3.646   4.995  -2.125
   78    HD2  PHE   9           HD2      PHE   9  -3.436   4.644   2.161
   79    HE1  PHE   9           HE1      PHE   9  -2.983   7.359  -1.952
   80    HE2  PHE   9           HE2      PHE   9  -2.773   7.008   2.312
   81    HZ   PHE   9           HZ       PHE   9  -2.545   8.369   0.261
   82    H    LYS  10           H        LYS  10  -2.931   1.424   1.948
   83    HA   LYS  10           HA       LYS  10  -0.355   2.508   2.888
   84    HB2  LYS  10           HB2      LYS  10  -2.106   0.328   4.300
   85    HB3  LYS  10           HB3      LYS  10  -0.771   1.089   5.097
   86    HG2  LYS  10           HG3      LYS  10  -1.881   3.333   5.026
   87    HG3  LYS  10           HG2      LYS  10  -3.223   2.671   4.090
   88    HD2  LYS  10           HD3      LYS  10  -3.786   1.106   5.985
   89    HD3  LYS  10           HD2      LYS  10  -2.432   1.747   6.924
   90    HE2  LYS  10           HE2      LYS  10  -3.501   4.057   6.889
   91    HE3  LYS  10           HE3      LYS  10  -4.855   3.416   5.946
   92    HZ2  LYS  10           HZ2      LYS  10  -5.341   3.511   8.299
   93    HZ3  LYS  10           HZ3      LYS  10  -4.074   2.548   8.675
   94    H    THR  11           H        THR  11  -1.082  -0.768   1.696
   95    HA   THR  11           HA       THR  11   1.399  -1.975   2.580
   96    HB   THR  11           HB       THR  11  -0.456  -2.797   0.277
   97    HG1  THR  11           HG1      THR  11  -0.192  -3.679   2.959
   98   HG21  THR  11          HG21      THR  11   1.745  -3.971   0.011
   99   HG22  THR  11          HG22      THR  11   1.696  -4.480   1.721
  100   HG23  THR  11          HG23      THR  11   0.485  -5.097   0.565
  101    H    ASN  12           H        ASN  12   0.504  -0.703  -0.625
  102    HA   ASN  12           HA       ASN  12   3.125  -0.836  -1.803
  103    HB2  ASN  12           HB3      ASN  12   0.849  -0.617  -3.016
  104    HB3  ASN  12           HB2      ASN  12   0.792   1.068  -2.583
  105   HD21  ASN  12          HD22      ASN  12   1.911   2.490  -3.939
  106   HD22  ASN  12          HD21      ASN  12   2.918   1.941  -5.372
  107    H    GLU  13           H        GLU  13   1.624   1.928   0.004
  108    HA   GLU  13           HA       GLU  13   3.697   3.851  -0.592
  109    HB2  GLU  13           HB3      GLU  13   1.403   4.475   0.154
  110    HB3  GLU  13           HB2      GLU  13   1.704   3.783   1.737
  111    HG2  GLU  13           HG3      GLU  13   1.874   6.195   1.882
  112    HG3  GLU  13           HG2      GLU  13   3.464   5.529   2.191
  113    HE2  GLU  13           HE2      GLU  13   4.988   7.044  -0.507
  114    H    ASN  14           H        ASN  14   3.193   1.914   2.353
  115    HA   ASN  14           HA       ASN  14   5.618   2.630   3.703
  116    HB2  ASN  14           HB3      ASN  14   3.597   1.513   4.743
  117    HB3  ASN  14           HB2      ASN  14   4.056  -0.007   4.010
  118   HD21  ASN  14          HD22      ASN  14   5.552  -1.250   5.153
  119   HD22  ASN  14          HD21      ASN  14   6.367  -0.692   6.699
  120    H    ASN  15           H        ASN  15   5.098  -0.157   1.558
  121    HA   ASN  15           HA       ASN  15   7.746  -1.293   1.796
  122    HB2  ASN  15           HB3      ASN  15   5.594  -2.473   0.930
  123    HB3  ASN  15           HB2      ASN  15   5.765  -1.610  -0.572
  124   HD21  ASN  15          HD21      ASN  15   7.189  -4.098   1.489
  125   HD22  ASN  15          HD22      ASN  15   8.186  -4.870   0.156
  126    H    ASP  16           H        ASP  16   6.645   1.336  -0.272
  127    HA   ASP  16           HA       ASP  16   9.287   1.414  -1.672
  128    HB2  ASP  16           HB2      ASP  16   7.364   0.772  -3.257
  129    HB3  ASP  16           HB3      ASP  16   6.674   2.360  -2.976
  130    HD2  ASP  16           HD2      ASP  16   9.300   0.580  -4.140
  131    H    LYS  17           H        LYS  17   9.137   2.418   0.725
  132    HA   LYS  17           HA       LYS  17   9.607   5.318   0.273
  133    HB2  LYS  17           HB2      LYS  17   7.375   5.186   1.198
  134    HB3  LYS  17           HB3      LYS  17   7.858   4.125   2.510
  135    HG2  LYS  17           HG3      LYS  17   8.918   7.016   2.224
  136    HG3  LYS  17           HG2      LYS  17   7.372   6.633   2.971
  137    HD2  LYS  17           HD2      LYS  17   8.580   5.055   4.593
  138    HD3  LYS  17           HD3      LYS  17  10.112   5.638   3.948
  139    HE2  LYS  17           HE2      LYS  17   9.519   8.016   4.625
  140    HE3  LYS  17           HE3      LYS  17   7.982   7.440   5.288
  141    HZ2  LYS  17           HZ2      LYS  17   9.684   7.655   6.973
  142    HZ3  LYS  17           HZ3      LYS  17  10.683   6.616   6.201
  143    H    SER  18           H        SER  18   9.983   2.748   2.693
  144    HA   SER  18           HA       SER  18  12.615   3.855   3.630
  145    HB2  SER  18           HB2      SER  18  10.988   2.500   5.246
  146    HB3  SER  18           HB3      SER  18  11.466   1.065   4.350
  147    HG   SER  18           HG       SER  18  13.211   2.871   5.670
  148    H    GLU  19           H        GLU  19  11.806   0.825   1.892
  149    HA   GLU  19           HA       GLU  19  14.561   0.895   0.601
  150    HB2  GLU  19           HB3      GLU  19  14.602  -0.799   2.429
  151    HB3  GLU  19           HB2      GLU  19  13.169  -1.603   1.789
  152    HG2  GLU  19           HG3      GLU  19  14.392  -2.181  -0.315
  153    HG3  GLU  19           HG2      GLU  19  15.820  -1.307   0.242
  154    HE2  GLU  19           HE2      GLU  19  16.893  -3.772   2.433
  155    H    LEU  20           H        LEU  20  13.433   1.974  -1.050
  156    HA   LEU  20           HA       LEU  20  11.198   1.089  -2.510
  157    HB2  LEU  20           HB3      LEU  20  13.573   2.695  -3.672
  158    HB3  LEU  20           HB2      LEU  20  12.024   2.418  -4.403
  159    HG   LEU  20           HG       LEU  20  10.901   3.566  -2.385
  160   HD11  LEU  20          HD21      LEU  20  12.777   3.692  -0.743
  161   HD12  LEU  20          HD22      LEU  20  13.782   4.595  -1.902
  162   HD13  LEU  20          HD23      LEU  20  12.309   5.324  -1.216
  163   HD21  LEU  20          HD11      LEU  20  12.665   5.249  -4.276
  164   HD22  LEU  20          HD12      LEU  20  11.059   4.585  -4.659
  165   HD23  LEU  20          HD13      LEU  20  11.222   5.819  -3.399
  166    H    ILE  21           H        ILE  21  14.559   0.376  -3.414
  167    HA   ILE  21           HA       ILE  21  13.571  -1.841  -5.306
  168    HB   ILE  21           HB       ILE  21  16.340  -0.523  -5.346
  169   HG12  ILE  21          HG11      ILE  21  14.079  -0.265  -7.439
  170   HG13  ILE  21          HG12      ILE  21  14.399   0.949  -6.218
  171   HG21  ILE  21          HG21      ILE  21  16.726  -1.864  -7.430
  172   HG22  ILE  21          HG22      ILE  21  15.130  -2.634  -7.260
  173   HG23  ILE  21          HG23      ILE  21  16.414  -2.937  -6.067
  174   HD11  ILE  21          HD11      ILE  21  15.444   1.675  -8.288
  175   HD12  ILE  21          HD12      ILE  21  16.376   0.172  -8.441
  176   HD13  ILE  21          HD13      ILE  21  16.733   1.314  -7.116
  Start of MODEL   13
    1    H1   TYR   1           H        TYR   1 -18.685  -5.248   2.681
    2    HA   TYR   1           HA       TYR   1 -17.811  -2.324   2.291
    3    HB2  TYR   1           HB3      TYR   1 -16.464  -4.380   4.156
    4    HB3  TYR   1           HB2      TYR   1 -15.725  -2.872   3.633
    5    HD1  TYR   1           HD2      TYR   1 -16.706  -0.632   4.343
    6    HD2  TYR   1           HD3      TYR   1 -18.173  -4.344   5.955
    7    HE1  TYR   1           HE2      TYR   1 -17.770   0.583   6.194
    8    HE2  TYR   1           HE3      TYR   1 -19.233  -3.115   7.799
    9    HH   TYR   1           HH       TYR   1 -19.610  -1.132   8.722
   10    H    ASP   2           H        ASP   2 -17.138  -2.298   0.286
   11    HA   ASP   2           HA       ASP   2 -15.024  -4.261  -0.663
   12    HB2  ASP   2           HB2      ASP   2 -17.276  -5.192  -1.405
   13    HB3  ASP   2           HB3      ASP   2 -17.575  -3.729  -2.326
   14    HD2  ASP   2           HD2      ASP   2 -14.974  -6.580  -3.571
   15    H    ASN   3           H        ASN   3 -13.394  -2.862  -1.000
   16    HA   ASN   3           HA       ASN   3 -13.521  -0.785  -2.973
   17    HB2  ASN   3           HB2      ASN   3 -14.540   0.567  -1.068
   18    HB3  ASN   3           HB3      ASN   3 -13.132   0.256  -0.083
   19   HD21  ASN   3          HD21      ASN   3 -14.241   1.862  -3.056
   20   HD22  ASN   3          HD22      ASN   3 -12.883   3.095  -3.086
   21    H    ILE   4           H        ILE   4 -11.797  -1.668  -3.888
   22    HA   ILE   4           HA       ILE   4  -9.609  -2.975  -2.628
   23    HB   ILE   4           HB       ILE   4 -10.335  -3.302  -4.954
   24   HG12  ILE   4          HG11      ILE   4  -7.305  -2.830  -4.808
   25   HG13  ILE   4          HG12      ILE   4  -8.119  -4.152  -3.988
   26   HG21  ILE   4          HG21      ILE   4 -10.469  -0.899  -5.710
   27   HG22  ILE   4          HG22      ILE   4  -9.517  -1.903  -6.819
   28   HG23  ILE   4          HG23      ILE   4  -8.692  -0.796  -5.688
   29   HD11  ILE   4          HD11      ILE   4  -8.081  -3.749  -7.045
   30   HD12  ILE   4          HD12      ILE   4  -8.973  -5.042  -6.200
   31   HD13  ILE   4          HD13      ILE   4  -7.198  -4.972  -6.108
   32    H    LEU   5           H        LEU   5  -9.957   0.415  -2.854
   33    HA   LEU   5           HA       LEU   5  -7.096   1.100  -2.801
   34    HB2  LEU   5           HB3      LEU   5  -8.924   2.560  -3.913
   35    HB3  LEU   5           HB2      LEU   5  -9.532   2.943  -2.325
   36    HG   LEU   5           HG       LEU   5  -7.355   4.096  -1.758
   37   HD11  LEU   5          HD21      LEU   5  -6.566   3.553  -4.701
   38   HD12  LEU   5          HD22      LEU   5  -5.711   4.643  -3.580
   39   HD13  LEU   5          HD23      LEU   5  -5.745   2.904  -3.260
   40   HD21  LEU   5          HD11      LEU   5  -8.725   5.123  -4.324
   41   HD22  LEU   5          HD12      LEU   5  -7.755   6.094  -3.187
   42   HD23  LEU   5          HD13      LEU   5  -9.292   5.386  -2.656
   43    H    VAL   6           H        VAL   6  -9.423   0.495  -0.220
   44    HA   VAL   6           HA       VAL   6  -8.014   1.993   1.873
   45    HB   VAL   6           HB       VAL   6  -9.797  -0.464   2.418
   46   HG11  VAL   6          HG21      VAL   6  -8.429   0.245   4.406
   47   HG12  VAL   6          HG22      VAL   6 -10.147   0.590   4.650
   48   HG13  VAL   6          HG23      VAL   6  -9.027   1.912   4.236
   49   HG21  VAL   6          HG11      VAL   6 -11.659   1.115   2.786
   50   HG22  VAL   6          HG12      VAL   6 -11.124   1.083   1.101
   51   HG23  VAL   6          HG13      VAL   6 -10.658   2.457   2.139
   52    H    LYS   7           H        LYS   7  -7.782  -1.431   0.970
   53    HA   LYS   7           HA       LYS   7  -5.391  -1.854   2.713
   54    HB2  LYS   7           HB3      LYS   7  -5.272  -4.154   1.951
   55    HB3  LYS   7           HB2      LYS   7  -6.855  -3.724   2.557
   56    HG2  LYS   7           HG2      LYS   7  -7.750  -3.566   0.225
   57    HG3  LYS   7           HG3      LYS   7  -6.162  -3.957  -0.444
   58    HD2  LYS   7           HD2      LYS   7  -6.213  -6.193   0.726
   59    HD3  LYS   7           HD3      LYS   7  -7.793  -5.802   1.417
   60    HE2  LYS   7           HE2      LYS   7  -8.778  -5.628  -0.922
   61    HE3  LYS   7           HE3      LYS   7  -7.199  -6.018  -1.617
   62    HZ2  LYS   7           HZ2      LYS   7  -8.565  -7.961  -1.465
   63    HZ3  LYS   7           HZ3      LYS   7  -7.267  -8.145  -0.489
   64    H    MET   8           H        MET   8  -5.742  -1.482  -0.840
   65    HA   MET   8           HA       MET   8  -2.901  -1.933  -1.344
   66    HB2  MET   8           HB2      MET   8  -4.894  -0.779  -3.252
   67    HB3  MET   8           HB3      MET   8  -3.260  -1.242  -3.645
   68    HG2  MET   8           HG3      MET   8  -5.632  -3.083  -3.103
   69    HG3  MET   8           HG2      MET   8  -4.435  -3.063  -4.399
   70    HE1  MET   8           HE1      MET   8  -5.322  -5.753  -2.978
   71    HE2  MET   8           HE2      MET   8  -4.077  -5.708  -4.264
   72    HE3  MET   8           HE3      MET   8  -3.748  -6.564  -2.729
   73    H    PHE   9           H        PHE   9  -4.470   1.024  -0.329
   74    HA   PHE   9           HA       PHE   9  -2.469   2.849  -1.554
   75    HB2  PHE   9           HB2      PHE   9  -4.766   3.633  -0.976
   76    HB3  PHE   9           HB3      PHE   9  -4.458   3.391   0.725
   77    HD1  PHE   9           HD1      PHE   9  -3.534   5.440  -2.281
   78    HD2  PHE   9           HD2      PHE   9  -3.114   5.066   1.987
   79    HE1  PHE   9           HE1      PHE   9  -2.614   7.720  -2.160
   80    HE2  PHE   9           HE2      PHE   9  -2.195   7.345   2.086
   81    HZ   PHE   9           HZ       PHE   9  -1.944   8.676   0.019
   82    H    LYS  10           H        LYS  10  -3.000   1.837   1.817
   83    HA   LYS  10           HA       LYS  10  -0.325   2.711   2.671
   84    HB2  LYS  10           HB3      LYS  10  -2.185   0.661   4.137
   85    HB3  LYS  10           HB2      LYS  10  -0.770   1.315   4.892
   86    HG2  LYS  10           HG2      LYS  10  -1.720   3.637   4.856
   87    HG3  LYS  10           HG3      LYS  10  -3.137   3.073   3.968
   88    HD2  LYS  10           HD3      LYS  10  -3.737   1.541   5.870
   89    HD3  LYS  10           HD2      LYS  10  -2.333   2.074   6.782
   90    HE2  LYS  10           HE2      LYS  10  -4.654   3.927   5.882
   91    HE3  LYS  10           HE3      LYS  10  -4.552   3.143   7.456
   92    HZ2  LYS  10           HZ2      LYS  10  -2.554   5.069   6.415
   93    HZ3  LYS  10           HZ3      LYS  10  -2.480   4.332   7.872
   94    H    THR  11           H        THR  11  -1.289  -0.506   1.486
   95    HA   THR  11           HA       THR  11   1.122  -1.870   2.334
   96    HB   THR  11           HB       THR  11  -0.810  -2.559   0.053
   97    HG1  THR  11           HG1      THR  11  -0.548  -3.481   2.722
   98   HG21  THR  11          HG21      THR  11   1.268  -4.378   1.439
   99   HG22  THR  11          HG22      THR  11  -0.001  -4.913   0.304
  100   HG23  THR  11          HG23      THR  11   1.310  -3.858  -0.268
  101    H    ASN  12           H        ASN  12   0.281  -0.562  -0.871
  102    HA   ASN  12           HA       ASN  12   2.920  -0.801  -2.005
  103    HB2  ASN  12           HB2      ASN  12   0.663  -0.582  -3.262
  104    HB3  ASN  12           HB3      ASN  12   0.640   1.119  -2.894
  105   HD21  ASN  12          HD22      ASN  12   1.797   2.460  -4.295
  106   HD22  ASN  12          HD21      ASN  12   2.821   1.835  -5.683
  107    H    GLU  13           H        GLU  13   1.442   2.077  -0.355
  108    HA   GLU  13           HA       GLU  13   3.576   3.905  -1.043
  109    HB2  GLU  13           HB2      GLU  13   1.245   4.573  -0.461
  110    HB3  GLU  13           HB3      GLU  13   1.513   4.107   1.218
  111    HG2  GLU  13           HG2      GLU  13   3.275   5.906   1.431
  112    HG3  GLU  13           HG3      GLU  13   3.104   6.304  -0.276
  113    HE2  GLU  13           HE2      GLU  13   1.464   7.375  -0.930
  114    H    ASN  14           H        ASN  14   2.953   2.189   2.016
  115    HA   ASN  14           HA       ASN  14   5.354   3.058   3.369
  116    HB2  ASN  14           HB2      ASN  14   3.705   0.540   3.956
  117    HB3  ASN  14           HB3      ASN  14   4.983   1.146   4.991
  118   HD21  ASN  14          HD22      ASN  14   2.287   0.750   5.753
  119   HD22  ASN  14          HD21      ASN  14   1.658   2.385   6.301
  120    H    ASN  15           H        ASN  15   4.816   0.025   1.589
  121    HA   ASN  15           HA       ASN  15   7.438  -1.097   2.056
  122    HB2  ASN  15           HB3      ASN  15   5.308  -2.367   1.271
  123    HB3  ASN  15           HB2      ASN  15   5.550  -1.715  -0.325
  124   HD21  ASN  15          HD22      ASN  15   6.887  -3.892   2.120
  125   HD22  ASN  15          HD21      ASN  15   7.922  -4.847   0.945
  126    H    ASP  16           H        ASP  16   6.414   1.186  -0.429
  127    HA   ASP  16           HA       ASP  16   9.054   0.979  -1.841
  128    HB2  ASP  16           HB2      ASP  16   6.933   0.577  -3.247
  129    HB3  ASP  16           HB3      ASP  16   6.479   2.245  -2.952
  130    HD2  ASP  16           HD2      ASP  16   8.767   0.131  -4.277
  131    H    LYS  17           H        LYS  17   8.947   2.128   0.602
  132    HA   LYS  17           HA       LYS  17  10.034   4.823  -0.011
  133    HB2  LYS  17           HB3      LYS  17   7.571   4.526   1.332
  134    HB3  LYS  17           HB2      LYS  17   8.658   4.636   2.679
  135    HG2  LYS  17           HG3      LYS  17   7.909   6.847   2.251
  136    HG3  LYS  17           HG2      LYS  17   9.572   6.836   1.671
  137    HD2  LYS  17           HD3      LYS  17   8.743   6.521  -0.701
  138    HD3  LYS  17           HD2      LYS  17   7.082   6.423  -0.122
  139    HE2  LYS  17           HE2      LYS  17   7.246   8.817   0.750
  140    HE3  LYS  17           HE3      LYS  17   8.919   8.909   0.177
  141    HZ2  LYS  17           HZ2      LYS  17   6.553   8.411  -1.547
  142    HZ3  LYS  17           HZ3      LYS  17   8.097   8.498  -2.076
  143    H    SER  18           H        SER  18   9.766   2.678   2.792
  144    HA   SER  18           HA       SER  18  12.590   3.216   3.630
  145    HB2  SER  18           HB3      SER  18  10.680   2.591   5.379
  146    HB3  SER  18           HB2      SER  18  10.774   0.956   4.740
  147    HG   SER  18           HG       SER  18  12.924   2.456   5.827
  148    H    GLU  19           H        GLU  19  11.051   0.294   2.258
  149    HA   GLU  19           HA       GLU  19  13.822  -0.817   1.584
  150    HB2  GLU  19           HB3      GLU  19  12.301  -2.227   3.097
  151    HB3  GLU  19           HB2      GLU  19  11.155  -2.368   1.768
  152    HG2  GLU  19           HG2      GLU  19  12.382  -4.337   1.753
  153    HG3  GLU  19           HG3      GLU  19  12.928  -3.435   0.344
  154    HE2  GLU  19           HE2      GLU  19  16.224  -3.245   1.359
  155    H    LEU  20           H        LEU  20  13.734   0.884   0.003
  156    HA   LEU  20           HA       LEU  20  12.107   0.270  -2.557
  157    HB2  LEU  20           HB2      LEU  20  12.042   2.644  -1.245
  158    HB3  LEU  20           HB3      LEU  20  13.567   2.921  -2.047
  159    HG   LEU  20           HG       LEU  20  10.852   2.290  -3.349
  160   HD11  LEU  20          HD21      LEU  20  10.830   4.678  -4.045
  161   HD12  LEU  20          HD22      LEU  20  10.998   4.565  -2.284
  162   HD13  LEU  20          HD23      LEU  20  12.417   4.952  -3.282
  163   HD21  LEU  20          HD11      LEU  20  11.833   2.931  -5.571
  164   HD22  LEU  20          HD12      LEU  20  13.454   3.038  -4.838
  165   HD23  LEU  20          HD13      LEU  20  12.601   1.475  -4.924
  166    H    ILE  21           H        ILE  21  14.025  -1.595  -2.458
  167    HA   ILE  21           HA       ILE  21  15.869  -0.767  -4.650
  168    HB   ILE  21           HB       ILE  21  17.195  -0.171  -2.675
  169   HG12  ILE  21          HG12      ILE  21  18.447  -2.601  -4.080
  170   HG13  ILE  21          HG11      ILE  21  18.209  -1.043  -4.853
  171   HG21  ILE  21          HG21      ILE  21  16.349  -1.829  -0.974
  172   HG22  ILE  21          HG22      ILE  21  18.114  -1.777  -1.043
  173   HG23  ILE  21          HG23      ILE  21  17.244  -3.131  -1.796
  174   HD11  ILE  21          HD11      ILE  21  20.524  -1.188  -4.068
  175   HD12  ILE  21          HD12      ILE  21  20.013  -1.514  -2.399
  176   HD13  ILE  21          HD13      ILE  21  19.693   0.079  -3.135