*HEADER    CELL INVASION                           09-MAR-17   5V4C              
*TITLE     PEPTIDE 38136 MODIFIED FROM FRAGMENT 21-37 OF PLASMODIUM FALCIPARUM   
*TITLE    2 CELL-TRAVERSAL PROTEIN FOR OOKINETES AND SPOROZOITES (CELTOS)        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE 38136;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
*SOURCE   4 ORGANISM_TAXID: 5833                                                 
*KEYWDS    MODIFIED PEPTIDE, CHEMICALLY SYNTHESIZED, PF-CELTOS ALPHA HELIX       
*KEYWDS   2 RESIDUES 8-14, CELL INVASION                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    30                                                                    
*AUTHOR    A.BERMUDEZ,M.E.PATARROYO                                              
*REVDAT   1   08-AUG-18 5V4C    0                                                
# Restraints file 1: pep38135.rstrnt
!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_17:HD1*   1:LEU_17:HD2*   1:LEU_17:CD1    1:LEU_17:CD2    1:LEU_17:CG    
!
#chiral
1:ASN_1:CA         S
1:VAL_2:CA         S
1:HIS_3:CA         S
1:THR_4:CA         S
1:THR_4:CB         R
1:PHE_5:CA         S
1:ARG_6:CA         S
1:ILE_8:CA         S
1:ILE_8:CB         S
1:ASN_9:CA         S
1:HIS_11:CA        S
1:ASN_12:CA        S
1:SER_13:CA        S
1:SER_14:CA        S
1:SER_15:CA        S
1:SER_16:CA        S
1:LEU_17:CA        S
!
#distance
1:HIS_3:O          1:GLY_7:HN          1.800  2.500 30.00 30.00 1000.000
1:SER_13:O         1:LEU_17:HN         1.800  2.500 30.00 30.00 1000.000
!
#NOE_distance
1:VAL_2:HN         1:VAL_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:        
1:HIS_3:HN         1:HIS_3:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:             
1:THR_4:HN         1:THR_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:              
1:PHE_5:HN         1:PHE_5:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ARG_6:HN         1:ARG_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:      
1:GLY_7:HN         1:GLY_7:HA*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:            
1:ILE_8:HN         1:ILE_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:                 
1:ASN_9:HN         1:ASN_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:GLY_10:HN        1:GLY_10:HA*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_11:HN        1:HIS_11: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:SER_13:HN        1:SER_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_14:HN        1:SER_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_15:HN        1:SER_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_16:HN        1:SER_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HN        1:LEU_17:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:VAL_2:HN         1:VAL_2:HB          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:VAL_2:HN         1:VAL_2:HG*         1.800  5.200  2.800 30.00 30.00 1000.000  0.00 !strong:
1:VAL_2:HB         1:VAL_2:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:VAL_2:HG*        1:VAL_2:HA          2.800  5.900  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:HIS_3:HN         1:HIS_3:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_3:HN         1:HIS_3:HBR         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_3:HBS        1:HIS_3:HD2         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:HIS_3:HBR        1:HIS_3:HD2         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:THR_4:HN         1:THR_4:HB          3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:  
1:THR_4:HN         1:THR_4:HG2*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:THR_4:HB         1:THR_4:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:THR_4:HG2*       1:THR_4:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:PHE_5:HD*        1:PHE_5:HA          2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:PHE_5:HD*        1:PHE_5:HE*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HN         1:ARG_6:HB*         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_6:HN         1:ARG_6:HG*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HN         1:ARG_6:HD*         3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ARG_6:HD*        1:ARG_6:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ARG_6:HB*        1:ARG_6:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HG*        1:ARG_6:HA          2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_6:HD*        1:ARG_6:HB*         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ARG_6:HD*        1:ARG_6:HG*         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HB*        1:ARG_6:HG*         1.800  4.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HH*        1:ARG_6:HG*         1.800  6.200  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HH*        1:ARG_6:HD*         1.800  6.200  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HN         1:ILE_8:HB          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_8:HN         1:ILE_8:HG1R        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HN         1:ILE_8:HG1S        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HN         1:ILE_8:HD1*        3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_8:HB         1:ILE_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HG1R       1:ILE_8:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HG1S       1:ILE_8:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ILE_8:HD1*       1:ILE_8:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_8:HB         1:ILE_8:HG1R        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HB         1:ILE_8:HG1S        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HB         1:ILE_8:HD1*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HG1R       1:ILE_8:HG1S        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HG1R       1:ILE_8:HD1*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HG1S       1:ILE_8:HD1*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_9:HN         1:ASN_9:HBS         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:ASN_9:HN         1:ASN_9:HBR         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:ASN_9:HBS        1:ASN_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_9:HBR        1:ASN_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_9:HD22       1:ASN_9:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_9:HD22       1:ASN_9:HBS         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ASN_9:HD22       1:ASN_9:HBR         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:HIS_11:HN        1:HIS_11:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_11:HN        1:HIS_11:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_11:HBS       1:HIS_11:HD2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:HIS_11:HBR       1:HIS_11:HD2        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_12:HD22      1:ASN_12:HA         2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_13:HBS       1:SER_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_13:HBR       1:SER_13:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_13:HBS       1:SER_13:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_13:HN        1:SER_13:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:SER_13:HN        1:SER_13:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:SER_14:HBS       1:SER_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_14:HBR       1:SER_14:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_14:HBS       1:SER_14:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_14:HN        1:SER_14:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:SER_14:HN        1:SER_14:HBS        3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_15:HBS       1:SER_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_15:HBR       1:SER_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_15:HBS       1:SER_15:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_15:HN        1:SER_15:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:  
1:SER_15:HN        1:SER_15:HBS        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:SER_16:HBS       1:SER_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_16:HBR       1:SER_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_16:HBS       1:SER_16:HBR        1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_16:HN        1:SER_16:HBR        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_16:HN        1:SER_16:HBS        2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:LEU_17:HN        1:LEU_17:HB*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HN        1:LEU_17:HG         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HN        1:LEU_17:HDR*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HN        1:LEU_17:HDS*       2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HB*       1:LEU_17:HA         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HG        1:LEU_17:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HDR*      1:LEU_17:HA         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HDS*      1:LEU_17:HA         3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_17:HB*       1:LEU_17:HG         2.800  4.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HB*       1:LEU_17:HDR*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HB*       1:LEU_17:HDS*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:LEU_17:HG        1:LEU_17:HDR*       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HG        1:LEU_17:HDS*       1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:LEU_17:HDS*      1:LEU_17:HDR*       2.800  5.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_2:HN         1:HIS_3:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:HIS_3:HN         1:THR_4:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:THR_4:HN         1:PHE_5:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:PHE_5:HN         1:ARG_6:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HN         1:GLY_7:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:   
1:GLY_7:HN         1:ILE_8:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HN         1:ASN_9:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:ASN_9:HN         1:GLY_10:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:GLY_10:HN        1:HIS_11:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:   
1:HIS_11:HN        1:ASN_12:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:ASN_12:HN        1:SER_13:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:SER_13:HN        1:SER_14:HN         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:SER_14:HN        1:SER_15:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:SER_15:HN        1:SER_16:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:SER_16:HN        1:LEU_17:HN         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_2:HN         1:ASN_1:HA          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:         
1:HIS_3:HN         1:VAL_2:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:  
1:THR_4:HN         1:HIS_3:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:PHE_5:HN         1:THR_4:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:ARG_6:HN         1:PHE_5:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:        
1:GLY_7:HN         1:ARG_6:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:       
1:ILE_8:HN         1:GLY_7:HA*         1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:      
1:ASN_9:HN         1:ILE_8:HA          1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:     
1:GLY_10:HN        1:ASN_9:HA          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:          
1:HIS_11:HN        1:GLY_10:HA*        1.800  3.800  2.800 30.00 30.00 1000.000  0.00 !strong:               
1:ASN_12:HN        1:HIS_11:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:   
1:SER_13:HN        1:ASN_12:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:           
1:SER_14:HN        1:SER_13:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:SER_15:HN        1:SER_14:HA         2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium: 
1:SER_16:HN        1:SER_15:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:LEU_17:HN        1:SER_16:HA         1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong: 
1:ILE_8:HB         1:ASN_9:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ILE_8:HG1R       1:ASN_9:HN          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_8:HG1S       1:ASN_9:HN          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_8:HD1*       1:ASN_9:HN          3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:VAL_2:HB         1:HIS_3:HN          2.800  3.500  3.500 30.00 30.00 1000.000  0.00 !medium:
1:VAL_2:HG*        1:HIS_3:HN          1.800  5.200  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ARG_6:HG*        1:GLY_7:HN          3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_1:HBS        1:VAL_2:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:ASN_1:HBR        1:VAL_2:HN          1.800  2.800  2.800 30.00 30.00 1000.000  0.00 !strong:
1:PHE_5:HA         1:ARG_6:HG*         3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_3:HA         1:VAL_2:HG*         1.800  5.200  2.800 30.00 30.00 1000.000  0.00 !strong:
1:PHE_5:HN         1:HIS_3:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:GLY_7:HN         1:PHE_5:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_13:HN        1:HIS_11:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_14:HN        1:ASN_12:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_16:HN        1:SER_14:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:PHE_5:HN         1:VAL_2:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ARG_6:HN         1:HIS_3:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:GLY_7:HN         1:THR_4:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_8:HN         1:PHE_5:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_9:HN         1:ARG_6:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_11:HN        1:ILE_8:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_12:HN        1:ASN_9:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_14:HN        1:HIS_11:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:LEU_17:HN        1:SER_14:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:PHE_5:HN         1:ASN_1:HA          3.500  4.500  3.500 30.00 30.00 1000.000  0.00 !weak:
1:ARG_6:HN         1:VAL_2:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_8:HN         1:THR_4:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ASN_9:HN         1:PHE_5:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
!1:GLY_10:HN        1:ARG_6:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_13:HN        1:ASN_9:HA          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_15:HN        1:HIS_11:HA         3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:ILE_8:HA         1:PHE_5:HB*         3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:HIS_11:HA        1:ILE_8:HB          3.500  5.500  5.500 30.00 30.00 1000.000  0.00 !weak:
1:SER_15:HA        1:ASN_12:HB*        3.500  6.500  5.500 30.00 30.00 1000.000  0.00 !weak:
!
#mixing_times
3.000000E+02 
!
#NMR_dihedral
1:ASN_1:CA         1:ASN_1:C          1:VAL_2:N          1:VAL_2:CA         178.000 180.000 500.00 500.00 1000.000
1:VAL_2:CA         1:VAL_2:C          1:HIS_3:N          1:HIS_3:CA         178.000 180.000 500.00 500.00 1000.000
1:HIS_3:CA         1:HIS_3:C          1:THR_4:N          1:THR_4:CA         178.000 180.000 500.00 500.00 1000.000
1:THR_4:CA         1:THR_4:C          1:PHE_5:N          1:PHE_5:CA         178.000 180.000 500.00 500.00 1000.000
1:PHE_5:CA         1:PHE_5:C          1:ARG_6:N          1:ARG_6:CA         178.000 180.000 500.00 500.00 1000.000
1:ARG_6:CA         1:ARG_6:C          1:GLY_7:N          1:GLY_7:CA         178.000 180.000 500.00 500.00 1000.000
1:GLY_7:CA         1:GLY_7:C          1:ILE_8:N          1:ILE_8:CA         178.000 180.000 500.00 500.00 1000.000
1:ILE_8:CA         1:ILE_8:C          1:ASN_9:N          1:ASN_9:CA         178.000 180.000 500.00 500.00 1000.000
1:ASN_9:CA         1:ASN_9:C          1:GLY_10:N         1:GLY_10:CA        178.000 180.000 500.00 500.00 1000.000
1:GLY_10:CA        1:GLY_10:C         1:HIS_11:N         1:HIS_11:CA        178.000 180.000 500.00 500.00 1000.000
1:HIS_11:CA        1:HIS_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:SER_13:N         1:SER_13:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_13:CA        1:SER_13:C         1:SER_14:N         1:SER_14:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_14:CA        1:SER_14:C         1:SER_15:N         1:SER_15:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_15:CA        1:SER_15:C         1:SER_16:N         1:SER_16:CA        178.000 180.000 500.00 500.00 1000.000
1:SER_16:CA        1:SER_16:C         1:LEU_17:N         1:LEU_17: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   ASN   1           H1       ASN   1  -7.754  -4.220   4.658
    2    H2   ASN   1           H2       ASN   1  -9.211  -3.447   4.690
    3    H3   ASN   1           H3       ASN   1  -8.975  -4.800   5.603
    4    HA   ASN   1           HA       ASN   1  -8.767  -6.173   3.704
    5    HB2  ASN   1           HB3      ASN   1 -11.009  -5.514   4.782
    6    HB3  ASN   1           HB2      ASN   1 -11.241  -4.450   3.391
    7   HD21  ASN   1          HD21      ASN   1 -10.893  -7.896   4.354
    8   HD22  ASN   1          HD22      ASN   1 -11.726  -8.538   2.957
    9    H    VAL   2           H        VAL   2  -8.958  -6.471   1.425
   10    HA   VAL   2           HA       VAL   2  -7.460  -4.568  -0.114
   11    HB   VAL   2           HB       VAL   2  -8.829  -7.084  -1.052
   12   HG11  VAL   2          HG11      VAL   2  -8.264  -5.574  -2.958
   13   HG12  VAL   2          HG12      VAL   2  -7.375  -7.116  -2.981
   14   HG13  VAL   2          HG13      VAL   2  -6.559  -5.625  -2.450
   15   HG21  VAL   2          HG21      VAL   2  -7.103  -7.514   0.701
   16   HG22  VAL   2          HG22      VAL   2  -6.708  -8.230  -0.880
   17   HG23  VAL   2          HG23      VAL   2  -5.892  -6.740  -0.348
   18    H    HIS   3           H        HIS   3 -10.941  -5.483  -0.386
   19    HA   HIS   3           HA       HIS   3 -11.548  -3.814  -2.601
   20    HB2  HIS   3           HB3      HIS   3 -12.825  -5.804  -1.482
   21    HB3  HIS   3           HB2      HIS   3 -13.619  -4.524  -0.542
   22    HD1  HIS   3           HD1      HIS   3 -13.056  -5.472  -4.320
   23    HD2  HIS   3           HD2      HIS   3 -15.601  -3.247  -1.676
   24    HE1  HIS   3           HE1      HIS   3 -15.076  -4.519  -5.603
   25    H    THR   4           H        THR   4 -11.942  -3.074   0.870
   26    HA   THR   4           HA       THR   4 -13.002  -0.409   0.356
   27    HB   THR   4           HB       THR   4 -12.874  -0.239   2.888
   28    HG1  THR   4           HG1      THR   4 -12.578  -2.157   4.031
   29   HG21  THR   4          HG21      THR   4 -14.778  -1.729   3.339
   30   HG22  THR   4          HG22      THR   4 -14.991  -0.814   1.827
   31   HG23  THR   4          HG23      THR   4 -14.521  -2.530   1.771
   32    H    PHE   5           H        PHE   5 -10.140  -1.421   2.300
   33    HA   PHE   5           HA       PHE   5  -8.858   1.187   1.982
   34    HB2  PHE   5           HB3      PHE   5  -7.870  -1.389   3.269
   35    HB3  PHE   5           HB2      PHE   5  -6.994   0.143   3.282
   36    HD1  PHE   5           HD1      PHE   5  -7.329   1.653   5.099
   37    HD2  PHE   5           HD2      PHE   5 -10.180  -1.493   4.385
   38    HE1  PHE   5           HE1      PHE   5  -8.409   2.128   7.278
   39    HE2  PHE   5           HE2      PHE   5 -11.280  -0.994   6.567
   40    HZ   PHE   5           HZ       PHE   5 -10.375   0.812   8.011
   41    H    ARG   6           H        ARG   6  -7.468   1.815   0.475
   42    HA   ARG   6           HA       ARG   6  -6.597  -0.034  -1.635
   43    HB2  ARG   6           HB2      ARG   6  -7.499   2.510  -1.657
   44    HB3  ARG   6           HB3      ARG   6  -5.762   2.829  -1.649
   45    HG2  ARG   6           HG3      ARG   6  -7.177   1.092  -3.706
   46    HG3  ARG   6           HG2      ARG   6  -6.834   2.816  -3.916
   47    HD2  ARG   6           HD3      ARG   6  -4.396   2.347  -3.741
   48    HD3  ARG   6           HD2      ARG   6  -4.756   0.617  -3.578
   49    HE   ARG   6           HE       ARG   6  -5.282   0.495  -5.871
   50   HH11  ARG   6          HH11      ARG   6  -4.633   3.936  -5.049
   51   HH12  ARG   6          HH12      ARG   6  -4.520   4.381  -6.737
   52   HH21  ARG   6          HH21      ARG   6  -5.109   1.178  -7.962
   53   HH22  ARG   6          HH22      ARG   6  -4.784   2.853  -8.347
   54    H    GLY   7           H        GLY   7  -4.785   2.521   0.089
   55    HA2  GLY   7           HA3      GLY   7  -2.814   2.253   1.409
   56    HA3  GLY   7           HA2      GLY   7  -2.584   0.635   0.726
   57    H    ILE   8           H        ILE   8  -2.753   4.021  -0.448
   58    HA   ILE   8           HA       ILE   8  -0.860   3.631  -2.608
   59    HB   ILE   8           HB       ILE   8  -1.982   6.148  -1.347
   60   HG12  ILE   8          HG13      ILE   8  -3.278   5.998  -3.736
   61   HG13  ILE   8          HG12      ILE   8  -3.144   4.282  -3.333
   62   HG21  ILE   8          HG21      ILE   8   0.085   6.580  -2.649
   63   HG22  ILE   8          HG22      ILE   8  -0.706   5.892  -4.088
   64   HG23  ILE   8          HG23      ILE   8  -1.356   7.369  -3.336
   65   HD11  ILE   8          HD11      ILE   8  -5.290   5.203  -2.566
   66   HD12  ILE   8          HD12      ILE   8  -4.432   6.407  -1.576
   67   HD13  ILE   8          HD13      ILE   8  -4.298   4.676  -1.186
   68    H    ASN   9           H        ASN   9  -0.664   5.550   0.414
   69    HA   ASN   9           HA       ASN   9   2.142   6.017   0.388
   70    HB2  ASN   9           HB2      ASN   9   0.248   7.205   1.624
   71    HB3  ASN   9           HB3      ASN   9   0.435   5.971   2.870
   72   HD21  ASN   9          HD21      ASN   9   2.391   8.777   4.183
   73   HD22  ASN   9          HD22      ASN   9   0.727   8.262   4.019
   74    H    GLY  10           H        GLY  10   0.308   3.481   2.175
   75    HA2  GLY  10           HA2      GLY  10   2.398   2.287   3.630
   76    HA3  GLY  10           HA3      GLY  10   0.974   1.426   3.024
   77    H    HIS  11           H        HIS  11   1.333   1.327   0.311
   78    HA   HIS  11           HA       HIS  11   3.382  -0.652  -0.101
   79    HB2  HIS  11           HB3      HIS  11   1.416   0.844  -1.836
   80    HB3  HIS  11           HB2      HIS  11   2.690  -0.121  -2.598
   81    HD1  HIS  11           HD1      HIS  11   2.108  -2.762  -2.871
   82    HD2  HIS  11           HD2      HIS  11  -0.180  -0.486  -0.068
   83    HE1  HIS  11           HE1      HIS  11   0.155  -4.177  -1.952
   84    H    ASN  12           H        ASN  12   3.284   2.882  -0.872
   85    HA   ASN  12           HA       ASN  12   5.605   3.018  -2.492
   86    HB2  ASN  12           HB3      ASN  12   3.822   4.753  -2.205
   87    HB3  ASN  12           HB2      ASN  12   4.531   5.163  -0.638
   88   HD21  ASN  12          HD21      ASN  12   6.303   6.512  -4.121
   89   HD22  ASN  12          HD22      ASN  12   5.077   5.265  -4.178
   90    H    SER  13           H        SER  13   5.485   2.792   1.072
   91    HA   SER  13           HA       SER  13   8.429   3.141   1.184
   92    HB2  SER  13           HB3      SER  13   6.240   3.773   3.119
   93    HB3  SER  13           HB2      SER  13   7.809   3.265   3.782
   94    HG   SER  13           HG       SER  13   7.690   5.551   3.436
   95    H    SER  14           H        SER  14   5.861   0.794   2.331
   96    HA   SER  14           HA       SER  14   7.856  -0.941   3.457
   97    HB2  SER  14           HB3      SER  14   5.564  -0.920   4.287
   98    HB3  SER  14           HB2      SER  14   5.036  -1.730   2.796
   99    HG   SER  14           HG       SER  14   5.469  -3.220   4.510
  100    H    SER  15           H        SER  15   6.193  -1.138   0.262
  101    HA   SER  15           HA       SER  15   7.677  -3.469  -0.579
  102    HB2  SER  15           HB3      SER  15   5.498  -2.604  -1.539
  103    HB3  SER  15           HB2      SER  15   6.433  -1.324  -2.341
  104    HG   SER  15           HG       SER  15   6.107  -3.168  -3.698
  105    H    SER  16           H        SER  16   8.779  -0.151  -0.223
  106    HA   SER  16           HA       SER  16  10.997  -0.490  -2.171
  107    HB2  SER  16           HB3      SER  16  10.091   1.923  -0.540
  108    HB3  SER  16           HB2      SER  16  11.475   1.912  -1.654
  109    HG   SER  16           HG       SER  16   9.541   2.703  -2.647
  110    H    LEU  17           H        LEU  17  12.498  -1.832  -1.309
  111    HA   LEU  17           HA       LEU  17  13.220  -1.805   1.532
  112    HB2  LEU  17           HB2      LEU  17  14.029  -3.346  -0.928
  113    HB3  LEU  17           HB3      LEU  17  14.977  -3.494   0.554
  114    HG   LEU  17           HG       LEU  17  13.351  -5.299   0.164
  115   HD11  LEU  17          HD11      LEU  17  14.214  -4.764   2.421
  116   HD12  LEU  17          HD12      LEU  17  12.642  -5.599   2.412
  117   HD13  LEU  17          HD13      LEU  17  12.718  -3.851   2.734
  118   HD21  LEU  17          HD21      LEU  17  11.439  -4.052  -0.791
  119   HD22  LEU  17          HD22      LEU  17  11.080  -3.430   0.838
  120   HD23  LEU  17          HD23      LEU  17  11.004  -5.179   0.516
  Start of MODEL    2
    1    H1   ASN   1           H1       ASN   1  -8.927  -5.132   4.612
    2    H2   ASN   1           H2       ASN   1 -10.339  -4.284   4.521
    3    H3   ASN   1           H3       ASN   1 -10.331  -5.807   5.155
    4    HA   ASN   1           HA       ASN   1  -9.777  -6.781   3.086
    5    HB2  ASN   1           HB3      ASN   1 -12.169  -6.156   3.855
    6    HB3  ASN   1           HB2      ASN   1 -12.082  -4.860   2.655
    7   HD21  ASN   1          HD21      ASN   1 -13.004  -5.331   0.705
    8   HD22  ASN   1          HD22      ASN   1 -13.172  -6.937   0.034
    9    H    VAL   2           H        VAL   2  -9.624  -6.567   0.759
   10    HA   VAL   2           HA       VAL   2  -7.712  -4.595  -0.055
   11    HB   VAL   2           HB       VAL   2  -9.167  -6.616  -1.757
   12   HG11  VAL   2          HG21      VAL   2  -8.127  -4.819  -3.142
   13   HG12  VAL   2          HG22      VAL   2  -6.548  -5.228  -2.428
   14   HG13  VAL   2          HG23      VAL   2  -7.418  -6.430  -3.413
   15   HG21  VAL   2          HG11      VAL   2  -7.820  -7.670   0.063
   16   HG22  VAL   2          HG12      VAL   2  -6.372  -6.865  -0.588
   17   HG23  VAL   2          HG13      VAL   2  -7.242  -8.067  -1.573
   18    H    HIS   3           H        HIS   3 -11.188  -4.895  -0.969
   19    HA   HIS   3           HA       HIS   3 -11.273  -2.692  -2.756
   20    HB2  HIS   3           HB3      HIS   3 -12.944  -4.652  -2.272
   21    HB3  HIS   3           HB2      HIS   3 -13.676  -3.493  -1.143
   22    HD1  HIS   3           HD1      HIS   3 -12.809  -3.763  -4.964
   23    HD2  HIS   3           HD2      HIS   3 -15.190  -1.582  -2.135
   24    HE1  HIS   3           HE1      HIS   3 -14.403  -2.149  -6.184
   25    H    THR   4           H        THR   4 -12.034  -2.724   0.737
   26    HA   THR   4           HA       THR   4 -12.661   0.093   0.890
   27    HB   THR   4           HB       THR   4 -12.555  -0.359   3.387
   28    HG1  THR   4           HG1      THR   4 -12.287  -3.068   2.591
   29   HG21  THR   4          HG21      THR   4 -14.612  -1.703   3.502
   30   HG22  THR   4          HG22      THR   4 -14.423  -2.136   1.786
   31   HG23  THR   4          HG23      THR   4 -14.710  -0.441   2.250
   32    H    PHE   5           H        PHE   5  -9.989  -1.680   2.530
   33    HA   PHE   5           HA       PHE   5  -8.296   0.738   2.545
   34    HB2  PHE   5           HB3      PHE   5  -7.713  -2.053   3.609
   35    HB3  PHE   5           HB2      PHE   5  -6.687  -0.633   3.809
   36    HD1  PHE   5           HD1      PHE   5 -10.027  -2.068   4.761
   37    HD2  PHE   5           HD2      PHE   5  -6.924   0.800   5.683
   38    HE1  PHE   5           HE1      PHE   5 -11.127  -1.598   6.947
   39    HE2  PHE   5           HE2      PHE   5  -8.020   1.235   7.863
   40    HZ   PHE   5           HZ       PHE   5 -10.147   0.082   8.471
   41    H    ARG   6           H        ARG   6  -7.091   1.221   0.881
   42    HA   ARG   6           HA       ARG   6  -6.298  -0.793  -1.130
   43    HB2  ARG   6           HB3      ARG   6  -7.278   1.815  -1.213
   44    HB3  ARG   6           HB2      ARG   6  -5.562   2.013  -1.587
   45    HG2  ARG   6           HG2      ARG   6  -6.598   1.820  -3.680
   46    HG3  ARG   6           HG3      ARG   6  -5.883   0.226  -3.394
   47    HD2  ARG   6           HD2      ARG   6  -8.113  -0.653  -2.736
   48    HD3  ARG   6           HD3      ARG   6  -8.827   0.950  -3.017
   49    HE   ARG   6           HE       ARG   6  -7.415   0.054  -5.368
   50   HH11  ARG   6          HH11      ARG   6 -11.303  -1.063  -5.111
   51   HH12  ARG   6          HH12      ARG   6 -10.511  -0.537  -3.642
   52   HH21  ARG   6          HH21      ARG   6 -10.198  -1.114  -7.055
   53   HH22  ARG   6          HH22      ARG   6  -8.520  -0.631  -7.155
   54    H    GLY   7           H        GLY   7  -4.560   2.093   0.049
   55    HA2  GLY   7           HA3      GLY   7  -2.519   2.004   1.394
   56    HA3  GLY   7           HA2      GLY   7  -2.158   0.420   0.680
   57    H    ILE   8           H        ILE   8  -2.732   3.816  -0.313
   58    HA   ILE   8           HA       ILE   8  -1.120   3.639  -2.720
   59    HB   ILE   8           HB       ILE   8  -2.245   6.024  -1.229
   60   HG12  ILE   8          HG13      ILE   8  -3.833   5.862  -3.422
   61   HG13  ILE   8          HG12      ILE   8  -3.507   4.145  -3.153
   62   HG21  ILE   8          HG21      ILE   8  -0.398   6.644  -2.764
   63   HG22  ILE   8          HG22      ILE   8  -1.314   5.934  -4.117
   64   HG23  ILE   8          HG23      ILE   8  -1.966   7.339  -3.240
   65   HD11  ILE   8          HD11      ILE   8  -5.607   4.825  -2.071
   66   HD12  ILE   8          HD12      ILE   8  -4.407   4.311  -0.860
   67   HD13  ILE   8          HD13      ILE   8  -4.732   6.043  -1.112
   68    H    ASN   9           H        ASN   9  -0.680   5.488   0.311
   69    HA   ASN   9           HA       ASN   9   2.142   5.956  -0.064
   70    HB2  ASN   9           HB2      ASN   9   0.371   7.333   1.187
   71    HB3  ASN   9           HB3      ASN   9   0.667   6.246   2.545
   72   HD21  ASN   9          HD21      ASN   9   2.775   9.140   3.319
   73   HD22  ASN   9          HD22      ASN   9   1.096   8.653   3.375
   74    H    GLY  10           H        GLY  10   0.364   3.674   2.072
   75    HA2  GLY  10           HA2      GLY  10   2.458   2.579   3.570
   76    HA3  GLY  10           HA3      GLY  10   1.020   1.682   3.062
   77    H    HIS  11           H        HIS  11   1.315   1.243   0.411
   78    HA   HIS  11           HA       HIS  11   3.400  -0.736   0.193
   79    HB2  HIS  11           HB3      HIS  11   1.429   0.495  -1.760
   80    HB3  HIS  11           HB2      HIS  11   2.618  -0.709  -2.270
   81    HD1  HIS  11           HD1      HIS  11  -0.534  -0.469   0.077
   82    HD2  HIS  11           HD2      HIS  11   2.104  -3.211  -1.884
   83    HE1  HIS  11           HE1      HIS  11  -1.492  -2.854   0.178
   84    H    ASN  12           H        ASN  12   3.168   2.661  -1.043
   85    HA   ASN  12           HA       ASN  12   5.433   2.626  -2.749
   86    HB2  ASN  12           HB3      ASN  12   3.609   4.347  -2.623
   87    HB3  ASN  12           HB2      ASN  12   4.384   4.988  -1.168
   88   HD21  ASN  12          HD21      ASN  12   6.711   6.986  -2.935
   89   HD22  ASN  12          HD22      ASN  12   6.025   6.519  -1.395
   90    H    SER  13           H        SER  13   5.428   2.904   0.815
   91    HA   SER  13           HA       SER  13   8.361   3.333   0.782
   92    HB2  SER  13           HB3      SER  13   6.212   4.111   2.718
   93    HB3  SER  13           HB2      SER  13   7.840   3.779   3.354
   94    HG   SER  13           HG       SER  13   7.565   5.991   2.726
   95    H    SER  14           H        SER  14   5.916   1.082   2.319
   96    HA   SER  14           HA       SER  14   8.003  -0.438   3.578
   97    HB2  SER  14           HB3      SER  14   5.739  -0.377   4.479
   98    HB3  SER  14           HB2      SER  14   5.194  -1.396   3.129
   99    HG   SER  14           HG       SER  14   5.738  -2.629   5.007
  100    H    SER  15           H        SER  15   6.252  -1.089   0.494
  101    HA   SER  15           HA       SER  15   7.775  -3.469  -0.094
  102    HB2  SER  15           HB3      SER  15   5.547  -2.787  -1.086
  103    HB3  SER  15           HB2      SER  15   6.423  -1.597  -2.073
  104    HG   SER  15           HG       SER  15   6.111  -3.608  -3.174
  105    H    SER  16           H        SER  16   8.789  -0.102  -0.205
  106    HA   SER  16           HA       SER  16  10.967  -0.642  -2.156
  107    HB2  SER  16           HB3      SER  16  10.030   1.944  -0.833
  108    HB3  SER  16           HB2      SER  16  11.387   1.821  -1.973
  109    HG   SER  16           HG       SER  16   9.410   2.422  -3.010
  110    H    LEU  17           H        LEU  17  12.529  -1.813  -1.172
  111    HA   LEU  17           HA       LEU  17  13.323  -1.396   1.620
  112    HB2  LEU  17           HB2      LEU  17  14.121  -3.221  -0.642
  113    HB3  LEU  17           HB3      LEU  17  15.108  -3.147   0.820
  114    HG   LEU  17           HG       LEU  17  13.532  -5.034   0.713
  115   HD11  LEU  17          HD11      LEU  17  14.430  -4.184   2.856
  116   HD12  LEU  17          HD12      LEU  17  12.887  -5.058   2.999
  117   HD13  LEU  17          HD13      LEU  17  12.914  -3.281   3.089
  118   HD21  LEU  17          HD21      LEU  17  11.556  -3.978  -0.343
  119   HD22  LEU  17          HD22      LEU  17  11.189  -4.937   1.110
  120   HD23  LEU  17          HD23      LEU  17  11.217  -3.159   1.200
  Start of MODEL    3
    1    H1   ASN   1           H1       ASN   1  -8.284   7.243  -2.275
    2    H2   ASN   1           H2       ASN   1  -9.554   6.421  -2.931
    3    H3   ASN   1           H3       ASN   1  -8.776   5.817  -1.607
    4    HA   ASN   1           HA       ASN   1 -10.385   8.269  -1.728
    5    HB2  ASN   1           HB3      ASN   1 -11.493   5.944  -1.806
    6    HB3  ASN   1           HB2      ASN   1 -10.924   5.740  -0.145
    7   HD21  ASN   1          HD21      ASN   1 -14.187   8.152  -0.931
    8   HD22  ASN   1          HD22      ASN   1 -13.148   7.616  -2.232
    9    H    VAL   2           H        VAL   2 -10.771   9.315   0.322
   10    HA   VAL   2           HA       VAL   2  -8.344   9.462   1.947
   11    HB   VAL   2           HB       VAL   2 -10.779  11.236   2.017
   12   HG11  VAL   2          HG21      VAL   2  -9.536  11.292   4.180
   13   HG12  VAL   2          HG22      VAL   2  -8.079  11.798   3.293
   14   HG13  VAL   2          HG23      VAL   2  -9.518  12.845   3.310
   15   HG21  VAL   2          HG11      VAL   2  -9.501  11.412  -0.120
   16   HG22  VAL   2          HG12      VAL   2  -8.058  11.868   0.818
   17   HG23  VAL   2          HG13      VAL   2  -9.498  12.914   0.835
   18    H    HIS   3           H        HIS   3 -11.835   9.069   2.850
   19    HA   HIS   3           HA       HIS   3 -11.309   8.426   5.569
   20    HB2  HIS   3           HB3      HIS   3 -13.474   9.224   4.365
   21    HB3  HIS   3           HB2      HIS   3 -13.798   7.490   4.171
   22    HD1  HIS   3           HD1      HIS   3 -13.043  10.019   7.092
   23    HD2  HIS   3           HD2      HIS   3 -14.844   6.226   6.205
   24    HE1  HIS   3           HE1      HIS   3 -14.220   9.072   9.178
   25    H    THR   4           H        THR   4 -11.957   6.179   2.868
   26    HA   THR   4           HA       THR   4 -11.481   3.826   4.536
   27    HB   THR   4           HB       THR   4 -11.823   2.623   2.302
   28    HG1  THR   4           HG1      THR   4 -11.485   4.485   0.966
   29   HG21  THR   4          HG21      THR   4 -14.267   2.874   2.308
   30   HG22  THR   4          HG22      THR   4 -13.610   2.694   3.953
   31   HG23  THR   4          HG23      THR   4 -14.115   4.297   3.367
   32    H    PHE   5           H        PHE   5  -9.999   4.807   1.400
   33    HA   PHE   5           HA       PHE   5  -7.885   4.785   0.599
   34    HB2  PHE   5           HB2      PHE   5  -7.250   5.878   2.763
   35    HB3  PHE   5           HB3      PHE   5  -6.747   4.294   3.349
   36    HD1  PHE   5           HD1      PHE   5  -5.884   7.156   1.268
   37    HD2  PHE   5           HD2      PHE   5  -4.695   3.253   2.647
   38    HE1  PHE   5           HE1      PHE   5  -3.524   7.719   0.797
   39    HE2  PHE   5           HE2      PHE   5  -2.322   3.841   2.233
   40    HZ   PHE   5           HZ       PHE   5  -1.745   6.102   1.345
   41    H    ARG   6           H        ARG   6  -6.735   3.423  -0.511
   42    HA   ARG   6           HA       ARG   6  -7.158   0.537  -0.132
   43    HB2  ARG   6           HB2      ARG   6  -7.270   2.078  -2.313
   44    HB3  ARG   6           HB3      ARG   6  -5.562   1.637  -2.413
   45    HG2  ARG   6           HG3      ARG   6  -7.842  -0.373  -2.270
   46    HG3  ARG   6           HG2      ARG   6  -7.122   0.215  -3.777
   47    HD2  ARG   6           HD3      ARG   6  -4.921  -0.724  -3.078
   48    HD3  ARG   6           HD2      ARG   6  -5.683  -1.363  -1.606
   49    HE   ARG   6           HE       ARG   6  -7.173  -2.313  -3.832
   50   HH11  ARG   6          HH11      ARG   6  -3.888  -2.814  -2.451
   51   HH12  ARG   6          HH12      ARG   6  -3.785  -4.430  -3.113
   52   HH21  ARG   6          HH21      ARG   6  -6.926  -4.367  -4.619
   53   HH22  ARG   6          HH22      ARG   6  -5.470  -5.288  -4.315
   54    H    GLY   7           H        GLY   7  -4.253   2.279  -1.182
   55    HA2  GLY   7           HA3      GLY   7  -2.541   1.927   1.000
   56    HA3  GLY   7           HA2      GLY   7  -2.393   0.440   0.045
   57    H    ILE   8           H        ILE   8  -2.626   3.953  -0.676
   58    HA   ILE   8           HA       ILE   8  -0.773   3.849  -2.901
   59    HB   ILE   8           HB       ILE   8  -1.957   6.172  -1.356
   60   HG12  ILE   8          HG13      ILE   8  -3.283   6.235  -3.732
   61   HG13  ILE   8          HG12      ILE   8  -3.068   4.491  -3.534
   62   HG21  ILE   8          HG21      ILE   8   0.075   6.824  -2.621
   63   HG22  ILE   8          HG22      ILE   8  -0.706   6.263  -4.120
   64   HG23  ILE   8          HG23      ILE   8  -1.404   7.624  -3.209
   65   HD11  ILE   8          HD11      ILE   8  -5.242   5.218  -2.647
   66   HD12  ILE   8          HD12      ILE   8  -4.425   6.336  -1.529
   67   HD13  ILE   8          HD13      ILE   8  -4.211   4.579  -1.346
   68    H    ASN   9           H        ASN   9  -0.566   5.436   0.299
   69    HA   ASN   9           HA       ASN   9   2.284   5.828   0.255
   70    HB2  ASN   9           HB2      ASN   9   0.450   7.120   1.489
   71    HB3  ASN   9           HB3      ASN   9   0.565   5.869   2.727
   72   HD21  ASN   9          HD21      ASN   9   0.982   8.139   3.885
   73   HD22  ASN   9          HD22      ASN   9   2.672   8.553   4.057
   74    H    GLY  10           H        GLY  10   0.261   3.382   1.955
   75    HA2  GLY  10           HA2      GLY  10   2.182   2.046   3.483
   76    HA3  GLY  10           HA3      GLY  10   0.774   1.265   2.749
   77    H    HIS  11           H        HIS  11   1.299   1.134   0.101
   78    HA   HIS  11           HA       HIS  11   3.360  -0.871  -0.165
   79    HB2  HIS  11           HB2      HIS  11   1.550   0.595  -2.098
   80    HB3  HIS  11           HB3      HIS  11   2.784  -0.533  -2.679
   81    HD1  HIS  11           HD1      HIS  11  -0.550  -0.562  -0.590
   82    HD2  HIS  11           HD2      HIS  11   2.269  -3.078  -2.600
   83    HE1  HIS  11           HE1      HIS  11  -1.487  -2.948  -0.819
   84    H    ASN  12           H        ASN  12   3.269   2.650  -1.086
   85    HA   ASN  12           HA       ASN  12   5.689   2.713  -2.559
   86    HB2  ASN  12           HB2      ASN  12   3.941   4.490  -2.425
   87    HB3  ASN  12           HB3      ASN  12   4.566   4.942  -0.832
   88   HD21  ASN  12          HD21      ASN  12   6.216   6.462  -0.745
   89   HD22  ASN  12          HD22      ASN  12   7.105   7.028  -2.142
   90    H    SER  13           H        SER  13   5.290   2.750   0.974
   91    HA   SER  13           HA       SER  13   8.140   3.194   1.530
   92    HB2  SER  13           HB2      SER  13   7.328   3.234   3.880
   93    HB3  SER  13           HB3      SER  13   6.369   4.313   2.851
   94    HG   SER  13           HG       SER  13   4.828   3.237   3.916
   95    H    SER  14           H        SER  14   5.749   0.540   2.280
   96    HA   SER  14           HA       SER  14   7.817  -1.118   3.366
   97    HB2  SER  14           HB3      SER  14   5.515  -1.287   4.137
   98    HB3  SER  14           HB2      SER  14   5.080  -2.073   2.605
   99    HG   SER  14           HG       SER  14   5.581  -3.594   4.272
  100    H    SER  15           H        SER  15   6.292  -1.233   0.104
  101    HA   SER  15           HA       SER  15   7.953  -3.436  -0.761
  102    HB2  SER  15           HB3      SER  15   6.650  -1.312  -2.503
  103    HB3  SER  15           HB2      SER  15   7.285  -2.879  -3.041
  104    HG   SER  15           HG       SER  15   4.998  -2.914  -2.716
  105    H    SER  16           H        SER  16   8.808  -0.036  -0.252
  106    HA   SER  16           HA       SER  16  11.170  -0.228  -2.044
  107    HB2  SER  16           HB3      SER  16   9.766   1.826  -2.123
  108    HB3  SER  16           HB2      SER  16  10.131   2.125  -0.409
  109    HG   SER  16           HG       SER  16  11.539   3.286  -1.834
  110    H    LEU  17           H        LEU  17  12.696  -1.491  -1.123
  111    HA   LEU  17           HA       LEU  17  13.201  -1.549   1.739
  112    HB2  LEU  17           HB2      LEU  17  14.334  -2.905  -0.682
  113    HB3  LEU  17           HB3      LEU  17  15.170  -3.041   0.867
  114    HG   LEU  17           HG       LEU  17  13.713  -4.939   0.277
  115   HD11  LEU  17          HD11      LEU  17  14.376  -4.447   2.610
  116   HD12  LEU  17          HD12      LEU  17  12.874  -5.389   2.454
  117   HD13  LEU  17          HD13      LEU  17  12.801  -3.655   2.850
  118   HD21  LEU  17          HD21      LEU  17  11.788  -3.785  -0.767
  119   HD22  LEU  17          HD22      LEU  17  11.271  -3.263   0.856
  120   HD23  LEU  17          HD23      LEU  17  11.345  -4.998   0.460
  Start of MODEL    4
    1    H1   ASN   1           H1       ASN   1  -8.866   7.217  -2.700
    2    H2   ASN   1           H2       ASN   1  -9.323   5.805  -1.981
    3    H3   ASN   1           H3       ASN   1 -10.176   6.390  -3.265
    4    HA   ASN   1           HA       ASN   1 -10.926   8.259  -2.049
    5    HB2  ASN   1           HB3      ASN   1 -12.048   5.947  -2.022
    6    HB3  ASN   1           HB2      ASN   1 -11.376   5.759  -0.398
    7   HD21  ASN   1          HD21      ASN   1 -14.666   8.190  -1.004
    8   HD22  ASN   1          HD22      ASN   1 -13.704   7.647  -2.360
    9    H    VAL   2           H        VAL   2 -11.181   9.354  -0.019
   10    HA   VAL   2           HA       VAL   2  -8.671   9.524   1.471
   11    HB   VAL   2           HB       VAL   2 -11.090  11.315   1.633
   12   HG11  VAL   2          HG21      VAL   2  -9.727  11.414   3.720
   13   HG12  VAL   2          HG22      VAL   2  -8.320  11.891   2.742
   14   HG13  VAL   2          HG23      VAL   2  -9.752  12.946   2.815
   15   HG21  VAL   2          HG11      VAL   2  -9.933  11.434  -0.576
   16   HG22  VAL   2          HG12      VAL   2  -8.438  11.903   0.269
   17   HG23  VAL   2          HG13      VAL   2  -9.870  12.958   0.343
   18    H    HIS   3           H        HIS   3 -12.112   9.155   2.551
   19    HA   HIS   3           HA       HIS   3 -11.470   8.600   5.262
   20    HB2  HIS   3           HB3      HIS   3 -13.691   9.337   4.120
   21    HB3  HIS   3           HB2      HIS   3 -14.004   7.594   3.995
   22    HD1  HIS   3           HD1      HIS   3 -13.165  10.228   6.797
   23    HD2  HIS   3           HD2      HIS   3 -14.949   6.385   6.113
   24    HE1  HIS   3           HE1      HIS   3 -14.247   9.340   8.959
   25    H    THR   4           H        THR   4 -12.197   6.259   2.663
   26    HA   THR   4           HA       THR   4 -11.631   3.969   4.389
   27    HB   THR   4           HB       THR   4 -12.040   2.685   2.215
   28    HG1  THR   4           HG1      THR   4 -11.767   4.499   0.802
   29   HG21  THR   4          HG21      THR   4 -14.485   2.913   2.298
   30   HG22  THR   4          HG22      THR   4 -13.769   2.800   3.924
   31   HG23  THR   4          HG23      THR   4 -14.312   4.375   3.298
   32    H    PHE   5           H        PHE   5 -10.271   4.843   1.161
   33    HA   PHE   5           HA       PHE   5  -8.186   4.805   0.288
   34    HB2  PHE   5           HB2      PHE   5  -7.527   6.044   2.367
   35    HB3  PHE   5           HB3      PHE   5  -6.957   4.514   3.027
   36    HD1  PHE   5           HD1      PHE   5  -4.885   3.500   2.314
   37    HD2  PHE   5           HD2      PHE   5  -6.249   7.284   0.775
   38    HE1  PHE   5           HE1      PHE   5  -2.547   4.135   1.777
   39    HE2  PHE   5           HE2      PHE   5  -3.923   7.894   0.194
   40    HZ   PHE   5           HZ       PHE   5  -2.073   6.359   0.736
   41    H    ARG   6           H        ARG   6  -6.918   3.423  -0.716
   42    HA   ARG   6           HA       ARG   6  -7.339   0.549  -0.257
   43    HB2  ARG   6           HB3      ARG   6  -7.191   2.182  -2.476
   44    HB3  ARG   6           HB2      ARG   6  -5.580   1.456  -2.455
   45    HG2  ARG   6           HG2      ARG   6  -6.811   0.065  -3.869
   46    HG3  ARG   6           HG3      ARG   6  -6.761  -0.820  -2.336
   47    HD2  ARG   6           HD3      ARG   6  -9.082  -0.051  -1.837
   48    HD3  ARG   6           HD2      ARG   6  -9.118   0.810  -3.389
   49    HE   ARG   6           HE       ARG   6  -9.279  -2.119  -2.976
   50   HH11  ARG   6          HH11      ARG   6 -10.093  -2.682  -6.285
   51   HH12  ARG   6          HH12      ARG   6  -9.956  -3.350  -4.674
   52   HH21  ARG   6          HH21      ARG   6  -9.051   0.518  -5.411
   53   HH22  ARG   6          HH22      ARG   6  -9.593  -0.540  -6.695
   54    H    GLY   7           H        GLY   7  -4.370   2.211  -1.313
   55    HA2  GLY   7           HA3      GLY   7  -2.757   1.988   0.969
   56    HA3  GLY   7           HA2      GLY   7  -2.607   0.434   0.131
   57    H    ILE   8           H        ILE   8  -2.685   3.883  -0.839
   58    HA   ILE   8           HA       ILE   8  -0.695   3.576  -2.928
   59    HB   ILE   8           HB       ILE   8  -1.942   6.028  -1.658
   60   HG12  ILE   8          HG13      ILE   8  -3.107   5.917  -4.116
   61   HG13  ILE   8          HG12      ILE   8  -2.936   4.192  -3.766
   62   HG21  ILE   8          HG21      ILE   8   0.178   6.554  -2.829
   63   HG22  ILE   8          HG22      ILE   8  -1.244   7.321  -3.575
   64   HG23  ILE   8          HG23      ILE   8  -0.510   5.884  -4.329
   65   HD11  ILE   8          HD11      ILE   8  -5.152   5.015  -3.091
   66   HD12  ILE   8          HD12      ILE   8  -4.220   4.469  -1.676
   67   HD13  ILE   8          HD13      ILE   8  -4.392   6.209  -2.012
   68    H    ASN   9           H        ASN   9  -0.684   5.404   0.157
   69    HA   ASN   9           HA       ASN   9   2.123   5.881   0.289
   70    HB2  ASN   9           HB2      ASN   9   0.174   7.056   1.443
   71    HB3  ASN   9           HB3      ASN   9   0.278   5.792   2.669
   72   HD21  ASN   9          HD21      ASN   9   2.166   8.551   4.161
   73   HD22  ASN   9          HD22      ASN   9   0.512   8.053   3.884
   74    H    GLY  10           H        GLY  10   0.181   3.312   1.909
   75    HA2  GLY  10           HA2      GLY  10   2.166   2.081   3.470
   76    HA3  GLY  10           HA3      GLY  10   0.791   1.234   2.745
   77    H    HIS  11           H        HIS  11   1.329   1.187   0.067
   78    HA   HIS  11           HA       HIS  11   3.417  -0.771  -0.247
   79    HB2  HIS  11           HB3      HIS  11   1.554   0.744  -2.079
   80    HB3  HIS  11           HB2      HIS  11   2.881  -0.200  -2.774
   81    HD1  HIS  11           HD1      HIS  11   2.330  -2.837  -3.133
   82    HD2  HIS  11           HD2      HIS  11  -0.142  -0.624  -0.437
   83    HE1  HIS  11           HE1      HIS  11   0.330  -4.278  -2.367
   84    H    ASN  12           H        ASN  12   3.342   2.777  -0.966
   85    HA   ASN  12           HA       ASN  12   5.761   2.949  -2.432
   86    HB2  ASN  12           HB3      ASN  12   3.964   4.679  -2.231
   87    HB3  ASN  12           HB2      ASN  12   4.563   5.056  -0.610
   88   HD21  ASN  12          HD21      ASN  12   5.344   5.244  -4.100
   89   HD22  ASN  12          HD22      ASN  12   6.568   6.483  -3.930
   90    H    SER  13           H        SER  13   5.390   2.756   1.126
   91    HA   SER  13           HA       SER  13   8.312   3.095   1.463
   92    HB2  SER  13           HB3      SER  13   5.969   3.538   3.283
   93    HB3  SER  13           HB2      SER  13   7.539   3.114   4.001
   94    HG   SER  13           HG       SER  13   7.273   5.398   3.730
   95    H    SER  14           H        SER  14   5.732   0.647   2.347
   96    HA   SER  14           HA       SER  14   7.702  -1.083   3.525
   97    HB2  SER  14           HB3      SER  14   5.368  -1.151   4.223
   98    HB3  SER  14           HB2      SER  14   4.948  -1.926   2.680
   99    HG   SER  14           HG       SER  14   5.333  -3.459   4.367
  100    H    SER  15           H        SER  15   6.224  -1.220   0.234
  101    HA   SER  15           HA       SER  15   7.838  -3.471  -0.589
  102    HB2  SER  15           HB3      SER  15   5.684  -2.657  -1.646
  103    HB3  SER  15           HB2      SER  15   6.616  -1.324  -2.363
  104    HG   SER  15           HG       SER  15   6.435  -3.144  -3.780
  105    H    SER  16           H        SER  16   8.796  -0.128  -0.073
  106    HA   SER  16           HA       SER  16  11.052  -0.219  -1.977
  107    HB2  SER  16           HB3      SER  16   9.729   1.869  -1.651
  108    HB3  SER  16           HB2      SER  16  10.236   1.907   0.052
  109    HG   SER  16           HG       SER  16  11.569   3.226  -1.301
  110    H    LEU  17           H        LEU  17  12.899  -1.194  -1.464
  111    HA   LEU  17           HA       LEU  17  13.548  -2.033   1.257
  112    HB2  LEU  17           HB2      LEU  17  14.783  -2.311  -1.480
  113    HB3  LEU  17           HB3      LEU  17  15.693  -2.797  -0.048
  114    HG   LEU  17           HG       LEU  17  14.592  -4.634  -1.247
  115   HD11  LEU  17          HD21      LEU  17  15.190  -4.817   1.147
  116   HD12  LEU  17          HD22      LEU  17  13.879  -5.904   0.632
  117   HD13  LEU  17          HD23      LEU  17  13.502  -4.432   1.560
  118   HD21  LEU  17          HD11      LEU  17  12.472  -3.564  -1.945
  119   HD22  LEU  17          HD12      LEU  17  12.275  -5.165  -1.193
  120   HD23  LEU  17          HD13      LEU  17  11.897  -3.693  -0.265
  Start of MODEL    5
    1    H1   ASN   1           H1       ASN   1  -9.186   7.034  -1.974
    2    H2   ASN   1           H2       ASN   1 -10.480   6.206  -2.574
    3    H3   ASN   1           H3       ASN   1  -9.543   5.530  -1.397
    4    HA   ASN   1           HA       ASN   1 -11.260   7.893  -1.128
    5    HB2  ASN   1           HB3      ASN   1 -12.273   5.536  -1.314
    6    HB3  ASN   1           HB2      ASN   1 -11.518   5.205   0.250
    7   HD21  ASN   1          HD21      ASN   1 -14.021   7.179  -1.389
    8   HD22  ASN   1          HD22      ASN   1 -14.940   7.517   0.060
    9    H    VAL   2           H        VAL   2 -11.470   8.745   1.020
   10    HA   VAL   2           HA       VAL   2  -8.904   8.881   2.415
   11    HB   VAL   2           HB       VAL   2 -11.396  10.511   2.878
   12   HG11  VAL   2          HG11      VAL   2  -9.940  10.454   4.904
   13   HG12  VAL   2          HG12      VAL   2 -10.083  12.072   4.178
   14   HG13  VAL   2          HG13      VAL   2  -8.606  11.111   3.926
   15   HG21  VAL   2          HG21      VAL   2 -10.353  10.935   0.651
   16   HG22  VAL   2          HG22      VAL   2 -10.320  12.349   1.731
   17   HG23  VAL   2          HG23      VAL   2  -8.844  11.387   1.478
   18    H    HIS   3           H        HIS   3 -12.269   8.214   3.590
   19    HA   HIS   3           HA       HIS   3 -11.472   7.398   6.190
   20    HB2  HIS   3           HB3      HIS   3 -13.777   8.137   5.232
   21    HB3  HIS   3           HB2      HIS   3 -14.010   6.403   4.927
   22    HD1  HIS   3           HD1      HIS   3 -13.167   8.756   7.972
   23    HD2  HIS   3           HD2      HIS   3 -14.797   4.922   6.935
   24    HE1  HIS   3           HE1      HIS   3 -14.100   7.577  10.061
   25    H    THR   4           H        THR   4 -12.207   5.321   3.377
   26    HA   THR   4           HA       THR   4 -11.450   2.889   4.810
   27    HB   THR   4           HB       THR   4 -11.902   1.831   2.523
   28    HG1  THR   4           HG1      THR   4 -11.786   3.802   1.315
   29   HG21  THR   4          HG21      THR   4 -14.348   1.919   2.738
   30   HG22  THR   4          HG22      THR   4 -14.196   3.271   3.887
   31   HG23  THR   4          HG23      THR   4 -13.550   1.667   4.310
   32    H    PHE   5           H        PHE   5 -10.291   4.178   1.645
   33    HA   PHE   5           HA       PHE   5  -8.251   4.345   0.684
   34    HB2  PHE   5           HB2      PHE   5  -7.549   5.390   2.848
   35    HB3  PHE   5           HB3      PHE   5  -6.886   3.828   3.324
   36    HD1  PHE   5           HD1      PHE   5  -6.426   6.821   1.283
   37    HD2  PHE   5           HD2      PHE   5  -4.782   3.030   2.488
   38    HE1  PHE   5           HE1      PHE   5  -4.167   7.620   0.680
   39    HE2  PHE   5           HE2      PHE   5  -2.507   3.850   1.928
   40    HZ   PHE   5           HZ       PHE   5  -2.208   6.172   1.050
   41    H    ARG   6           H        ARG   6  -6.971   3.145  -0.519
   42    HA   ARG   6           HA       ARG   6  -7.252   0.224  -0.350
   43    HB2  ARG   6           HB2      ARG   6  -7.294   2.131  -2.369
   44    HB3  ARG   6           HB3      ARG   6  -5.726   1.349  -2.597
   45    HG2  ARG   6           HG3      ARG   6  -8.331  -0.196  -2.416
   46    HG3  ARG   6           HG2      ARG   6  -7.702   0.454  -3.934
   47    HD2  ARG   6           HD2      ARG   6  -7.098  -1.818  -3.917
   48    HD3  ARG   6           HD3      ARG   6  -5.613  -0.928  -3.555
   49    HE   ARG   6           HE       ARG   6  -5.549  -1.900  -1.421
   50   HH11  ARG   6          HH11      ARG   6  -7.567  -4.329  -0.026
   51   HH12  ARG   6          HH12      ARG   6  -6.074  -3.424   0.079
   52   HH21  ARG   6          HH21      ARG   6  -9.018  -3.978  -1.694
   53   HH22  ARG   6          HH22      ARG   6  -8.690  -2.787  -2.933
   54    H    GLY   7           H        GLY   7  -4.419   2.225  -1.260
   55    HA2  GLY   7           HA3      GLY   7  -2.688   1.789   0.866
   56    HA3  GLY   7           HA2      GLY   7  -2.510   0.340  -0.137
   57    H    ILE   8           H        ILE   8  -2.782   3.865  -0.748
   58    HA   ILE   8           HA       ILE   8  -0.860   3.851  -2.923
   59    HB   ILE   8           HB       ILE   8  -2.171   6.111  -1.387
   60   HG12  ILE   8          HG13      ILE   8  -3.414   6.170  -3.809
   61   HG13  ILE   8          HG12      ILE   8  -3.153   4.432  -3.628
   62   HG21  ILE   8          HG21      ILE   8  -0.120   6.845  -2.571
   63   HG22  ILE   8          HG22      ILE   8  -1.599   7.607  -3.199
   64   HG23  ILE   8          HG23      ILE   8  -0.829   6.282  -4.104
   65   HD11  ILE   8          HD11      ILE   8  -5.380   5.079  -2.812
   66   HD12  ILE   8          HD12      ILE   8  -4.639   6.204  -1.648
   67   HD13  ILE   8          HD13      ILE   8  -4.378   4.451  -1.483
   68    H    ASN   9           H        ASN   9  -0.826   5.395   0.311
   69    HA   ASN   9           HA       ASN   9   1.985   5.931   0.396
   70    HB2  ASN   9           HB2      ASN   9   0.033   7.022   1.640
   71    HB3  ASN   9           HB3      ASN   9   0.197   5.712   2.809
   72   HD21  ASN   9          HD21      ASN   9   2.071   8.448   4.361
   73   HD22  ASN   9          HD22      ASN   9   0.420   7.929   4.109
   74    H    GLY  10           H        GLY  10   0.098   3.256   1.904
   75    HA2  GLY  10           HA2      GLY  10   2.101   1.993   3.404
   76    HA3  GLY  10           HA3      GLY  10   0.753   1.151   2.626
   77    H    HIS  11           H        HIS  11   1.321   1.219  -0.044
   78    HA   HIS  11           HA       HIS  11   3.495  -0.648  -0.384
   79    HB2  HIS  11           HB2      HIS  11   1.630   0.838  -2.246
   80    HB3  HIS  11           HB3      HIS  11   2.951  -0.147  -2.892
   81    HD1  HIS  11           HD1      HIS  11  -0.367  -0.601  -0.814
   82    HD2  HIS  11           HD2      HIS  11   2.612  -2.713  -3.049
   83    HE1  HIS  11           HE1      HIS  11  -1.104  -3.037  -1.212
   84    H    ASN  12           H        ASN  12   3.235   2.909  -1.014
   85    HA   ASN  12           HA       ASN  12   5.638   3.260  -2.463
   86    HB2  ASN  12           HB2      ASN  12   3.752   4.873  -2.184
   87    HB3  ASN  12           HB3      ASN  12   4.356   5.249  -0.566
   88   HD21  ASN  12          HD21      ASN  12   5.857   6.902  -0.372
   89   HD22  ASN  12          HD22      ASN  12   6.685   7.644  -1.722
   90    H    SER  13           H        SER  13   5.356   2.780   1.064
   91    HA   SER  13           HA       SER  13   8.289   3.194   1.297
   92    HB2  SER  13           HB3      SER  13   6.059   4.033   3.048
   93    HB3  SER  13           HB2      SER  13   7.470   3.353   3.889
   94    HG   SER  13           HG       SER  13   7.670   5.629   3.516
   95    H    SER  14           H        SER  14   5.667   0.857   2.270
   96    HA   SER  14           HA       SER  14   7.552  -0.828   3.639
   97    HB2  SER  14           HB3      SER  14   5.175  -0.813   4.206
   98    HB3  SER  14           HB2      SER  14   4.831  -1.670   2.689
   99    HG   SER  14           HG       SER  14   5.084  -3.108   4.482
  100    H    SER  15           H        SER  15   6.282  -1.057   0.276
  101    HA   SER  15           HA       SER  15   7.812  -3.428  -0.348
  102    HB2  SER  15           HB3      SER  15   6.729  -1.279  -2.212
  103    HB3  SER  15           HB2      SER  15   7.303  -2.888  -2.698
  104    HG   SER  15           HG       SER  15   5.008  -2.797  -2.466
  105    H    SER  16           H        SER  16   9.015  -0.210   0.206
  106    HA   SER  16           HA       SER  16  11.178  -0.259  -1.765
  107    HB2  SER  16           HB3      SER  16  10.683   1.557   0.632
  108    HB3  SER  16           HB2      SER  16  11.942   1.800  -0.597
  109    HG   SER  16           HG       SER  16  10.029   3.020  -1.034
  110    H    LEU  17           H        LEU  17  13.081  -1.252  -1.586
  111    HA   LEU  17           HA       LEU  17  13.835  -2.729   0.816
  112    HB2  LEU  17           HB2      LEU  17  14.938  -2.331  -1.960
  113    HB3  LEU  17           HB3      LEU  17  15.924  -3.133  -0.734
  114    HG   LEU  17           HG       LEU  17  14.733  -4.633  -2.292
  115   HD11  LEU  17          HD11      LEU  17  15.532  -5.381  -0.072
  116   HD12  LEU  17          HD12      LEU  17  14.183  -6.339  -0.730
  117   HD13  LEU  17          HD13      LEU  17  13.883  -5.147   0.558
  118   HD21  LEU  17          HD21      LEU  17  12.562  -3.471  -2.533
  119   HD22  LEU  17          HD22      LEU  17  12.130  -4.018  -0.895
  120   HD23  LEU  17          HD23      LEU  17  12.430  -5.211  -2.183
  Start of MODEL    6
    1    H1   ASN   1           H1       ASN   1 -12.240   4.132   1.495
    2    H2   ASN   1           H2       ASN   1 -13.450   3.466   0.595
    3    H3   ASN   1           H3       ASN   1 -12.038   2.644   0.813
    4    HA   ASN   1           HA       ASN   1 -14.022   3.303   2.868
    5    HB2  ASN   1           HB3      ASN   1 -14.455   1.473   1.087
    6    HB3  ASN   1           HB2      ASN   1 -13.196   0.551   1.918
    7   HD21  ASN   1          HD21      ASN   1 -13.954  -0.929   3.383
    8   HD22  ASN   1          HD22      ASN   1 -15.461  -0.790   4.259
    9    H    VAL   2           H        VAL   2 -13.659   2.383   4.952
   10    HA   VAL   2           HA       VAL   2 -10.889   2.651   5.830
   11    HB   VAL   2           HB       VAL   2 -13.385   2.301   7.486
   12   HG11  VAL   2          HG21      VAL   2 -11.341   1.608   8.740
   13   HG12  VAL   2          HG22      VAL   2 -10.667   3.234   8.474
   14   HG13  VAL   2          HG23      VAL   2 -12.152   3.033   9.432
   15   HG21  VAL   2          HG11      VAL   2 -13.352   4.452   6.217
   16   HG22  VAL   2          HG12      VAL   2 -11.821   4.867   7.025
   17   HG23  VAL   2          HG13      VAL   2 -13.308   4.666   7.983
   18    H    HIS   3           H        HIS   3 -13.311  -0.020   6.182
   19    HA   HIS   3           HA       HIS   3 -11.513  -1.832   7.439
   20    HB2  HIS   3           HB3      HIS   3 -14.113  -1.786   7.300
   21    HB3  HIS   3           HB2      HIS   3 -13.877  -2.792   5.856
   22    HD1  HIS   3           HD1      HIS   3 -12.894  -2.855   9.668
   23    HD2  HIS   3           HD2      HIS   3 -13.458  -5.348   6.220
   24    HE1  HIS   3           HE1      HIS   3 -12.682  -5.339  10.308
   25    H    THR   4           H        THR   4 -12.455  -1.726   3.987
   26    HA   THR   4           HA       THR   4 -10.614  -3.850   3.248
   27    HB   THR   4           HB       THR   4 -11.308  -3.175   0.891
   28    HG1  THR   4           HG1      THR   4 -12.050  -1.054   1.447
   29   HG21  THR   4          HG21      THR   4 -13.549  -4.173   1.017
   30   HG22  THR   4          HG22      THR   4 -13.517  -4.016   2.790
   31   HG23  THR   4          HG23      THR   4 -12.357  -5.089   1.970
   32    H    PHE   5           H        PHE   5 -10.758  -0.461   2.049
   33    HA   PHE   5           HA       PHE   5  -9.239   1.057   1.466
   34    HB2  PHE   5           HB3      PHE   5  -7.518   1.674   2.853
   35    HB3  PHE   5           HB2      PHE   5  -8.730   0.912   3.873
   36    HD1  PHE   5           HD1      PHE   5  -8.090  -0.910   5.334
   37    HD2  PHE   5           HD2      PHE   5  -5.366   0.459   2.286
   38    HE1  PHE   5           HE1      PHE   5  -6.271  -2.235   6.356
   39    HE2  PHE   5           HE2      PHE   5  -3.544  -0.870   3.317
   40    HZ   PHE   5           HZ       PHE   5  -3.998  -2.217   5.357
   41    H    ARG   6           H        ARG   6  -7.505   1.708   0.190
   42    HA   ARG   6           HA       ARG   6  -6.562  -0.340  -1.684
   43    HB2  ARG   6           HB3      ARG   6  -7.353   2.292  -1.891
   44    HB3  ARG   6           HB2      ARG   6  -5.594   2.446  -1.944
   45    HG2  ARG   6           HG2      ARG   6  -6.225   2.339  -4.192
   46    HG3  ARG   6           HG3      ARG   6  -5.636   0.709  -3.834
   47    HD2  ARG   6           HD2      ARG   6  -7.975  -0.093  -3.632
   48    HD3  ARG   6           HD3      ARG   6  -8.569   1.546  -3.975
   49    HE   ARG   6           HE       ARG   6  -6.819   0.768  -6.088
   50   HH11  ARG   6          HH11      ARG   6 -10.596  -0.662  -6.465
   51   HH12  ARG   6          HH12      ARG   6 -10.080  -0.143  -4.876
   52   HH21  ARG   6          HH21      ARG   6  -9.213  -0.536  -8.218
   53   HH22  ARG   6          HH22      ARG   6  -7.586   0.082  -8.046
   54    H    GLY   7           H        GLY   7  -4.782   2.380  -0.208
   55    HA2  GLY   7           HA3      GLY   7  -2.896   2.151   1.307
   56    HA3  GLY   7           HA2      GLY   7  -2.574   0.546   0.626
   57    H    ILE   8           H        ILE   8  -2.839   3.936  -0.492
   58    HA   ILE   8           HA       ILE   8  -0.897   3.663  -2.627
   59    HB   ILE   8           HB       ILE   8  -2.157   6.103  -1.345
   60   HG12  ILE   8          HG13      ILE   8  -3.418   5.941  -3.747
   61   HG13  ILE   8          HG12      ILE   8  -3.192   4.223  -3.396
   62   HG21  ILE   8          HG21      ILE   8  -0.094   6.651  -2.610
   63   HG22  ILE   8          HG22      ILE   8  -1.559   7.380  -3.310
   64   HG23  ILE   8          HG23      ILE   8  -0.829   5.946  -4.069
   65   HD11  ILE   8          HD11      ILE   8  -5.400   4.996  -2.636
   66   HD12  ILE   8          HD12      ILE   8  -4.399   4.479  -1.256
   67   HD13  ILE   8          HD13      ILE   8  -4.626   6.213  -1.592
   68    H    ASN   9           H        ASN   9  -0.841   5.543   0.424
   69    HA   ASN   9           HA       ASN   9   1.943   6.122   0.464
   70    HB2  ASN   9           HB2      ASN   9  -0.023   7.213   1.678
   71    HB3  ASN   9           HB3      ASN   9   0.195   5.972   2.910
   72   HD21  ASN   9          HD21      ASN   9   0.364   8.259   4.092
   73   HD22  ASN   9          HD22      ASN   9   2.000   8.842   4.294
   74    H    GLY  10           H        GLY  10   0.178   3.484   2.168
   75    HA2  GLY  10           HA2      GLY  10   2.297   2.360   3.647
   76    HA3  GLY  10           HA3      GLY  10   0.913   1.452   3.016
   77    H    HIS  11           H        HIS  11   1.317   1.411   0.292
   78    HA   HIS  11           HA       HIS  11   3.450  -0.483  -0.099
   79    HB2  HIS  11           HB3      HIS  11   1.448   0.936  -1.846
   80    HB3  HIS  11           HB2      HIS  11   2.802   0.089  -2.612
   81    HD1  HIS  11           HD1      HIS  11   2.499  -2.612  -2.867
   82    HD2  HIS  11           HD2      HIS  11  -0.134  -0.535  -0.217
   83    HE1  HIS  11           HE1      HIS  11   0.656  -4.201  -2.010
   84    H    ASN  12           H        ASN  12   3.239   3.056  -0.807
   85    HA   ASN  12           HA       ASN  12   5.561   3.333  -2.388
   86    HB2  ASN  12           HB2      ASN  12   3.719   4.987  -2.005
   87    HB3  ASN  12           HB3      ASN  12   4.453   5.381  -0.445
   88   HD21  ASN  12          HD21      ASN  12   6.749   7.689  -1.827
   89   HD22  ASN  12          HD22      ASN  12   6.013   6.994  -0.400
   90    H    SER  13           H        SER  13   5.483   2.894   1.152
   91    HA   SER  13           HA       SER  13   8.436   3.221   1.195
   92    HB2  SER  13           HB3      SER  13   6.360   4.222   3.043
   93    HB3  SER  13           HB2      SER  13   7.782   3.498   3.828
   94    HG   SER  13           HG       SER  13   8.073   5.748   3.363
   95    H    SER  14           H        SER  14   5.790   1.029   2.407
   96    HA   SER  14           HA       SER  14   7.688  -0.689   3.721
   97    HB2  SER  14           HB3      SER  14   5.356  -0.549   4.434
   98    HB3  SER  14           HB2      SER  14   4.875  -1.428   2.967
   99    HG   SER  14           HG       SER  14   5.171  -2.827   4.784
  100    H    SER  15           H        SER  15   6.191  -0.980   0.460
  101    HA   SER  15           HA       SER  15   7.583  -3.432  -0.175
  102    HB2  SER  15           HB3      SER  15   6.444  -1.314  -2.044
  103    HB3  SER  15           HB2      SER  15   6.911  -2.966  -2.497
  104    HG   SER  15           HG       SER  15   4.644  -2.763  -2.103
  105    H    SER  16           H        SER  16   8.935  -0.249   0.175
  106    HA   SER  16           HA       SER  16  10.936  -0.434  -1.950
  107    HB2  SER  16           HB3      SER  16  10.691   1.464   0.422
  108    HB3  SER  16           HB2      SER  16  11.859   1.627  -0.907
  109    HG   SER  16           HG       SER  16   9.960   2.905  -1.231
  110    H    LEU  17           H        LEU  17  12.810  -1.491  -1.886
  111    HA   LEU  17           HA       LEU  17  13.700  -2.927   0.493
  112    HB2  LEU  17           HB2      LEU  17  14.597  -2.646  -2.369
  113    HB3  LEU  17           HB3      LEU  17  15.649  -3.447  -1.199
  114    HG   LEU  17           HG       LEU  17  14.292  -4.948  -2.615
  115   HD11  LEU  17          HD21      LEU  17  15.227  -5.669  -0.438
  116   HD12  LEU  17          HD22      LEU  17  13.642  -5.351   0.306
  117   HD13  LEU  17          HD23      LEU  17  13.797  -6.589  -0.964
  118   HD21  LEU  17          HD11      LEU  17  12.152  -3.710  -2.725
  119   HD22  LEU  17          HD12      LEU  17  11.828  -4.195  -1.043
  120   HD23  LEU  17          HD13      LEU  17  11.983  -5.434  -2.312
  Start of MODEL    7
    1    H1   ASN   1           H1       ASN   1 -10.573  -3.493   4.938
    2    H2   ASN   1           H2       ASN   1  -9.221  -4.056   5.694
    3    H3   ASN   1           H3       ASN   1  -9.948  -2.676   6.227
    4    HA   ASN   1           HA       ASN   1  -9.399  -1.480   4.329
    5    HB2  ASN   1           HB3      ASN   1  -7.877  -1.872   6.327
    6    HB3  ASN   1           HB2      ASN   1  -6.925  -2.920   5.270
    7   HD21  ASN   1          HD21      ASN   1  -5.015  -0.260   3.989
    8   HD22  ASN   1          HD22      ASN   1  -5.186  -1.975   4.289
    9    H    VAL   2           H        VAL   2  -9.596  -4.616   3.459
   10    HA   VAL   2           HA       VAL   2  -7.925  -4.574   1.065
   11    HB   VAL   2           HB       VAL   2  -9.871  -6.682   2.000
   12   HG11  VAL   2          HG11      VAL   2  -9.478  -6.802  -0.460
   13   HG12  VAL   2          HG12      VAL   2  -7.736  -6.986  -0.142
   14   HG13  VAL   2          HG13      VAL   2  -8.881  -8.227   0.423
   15   HG21  VAL   2          HG21      VAL   2  -7.918  -6.423   3.532
   16   HG22  VAL   2          HG22      VAL   2  -7.981  -8.010   2.726
   17   HG23  VAL   2          HG23      VAL   2  -6.836  -6.769   2.160
   18    H    HIS   3           H        HIS   3 -11.493  -4.835   1.573
   19    HA   HIS   3           HA       HIS   3 -12.210  -4.331  -1.142
   20    HB2  HIS   3           HB3      HIS   3 -13.505  -5.379   0.890
   21    HB3  HIS   3           HB2      HIS   3 -14.060  -3.711   1.145
   22    HD1  HIS   3           HD1      HIS   3 -16.631  -4.324   0.355
   23    HD2  HIS   3           HD2      HIS   3 -13.439  -4.988  -2.437
   24    HE1  HIS   3           HE1      HIS   3 -17.573  -4.756  -2.004
   25    H    THR   4           H        THR   4 -12.044  -2.060   1.607
   26    HA   THR   4           HA       THR   4 -13.058   0.211   0.136
   27    HB   THR   4           HB       THR   4 -12.296   1.460   2.216
   28    HG1  THR   4           HG1      THR   4 -11.745   0.217   4.015
   29   HG21  THR   4          HG21      THR   4 -14.044   0.574   3.702
   30   HG22  THR   4          HG22      THR   4 -14.620   0.748   2.027
   31   HG23  THR   4          HG23      THR   4 -14.199  -0.861   2.661
   32    H    PHE   5           H        PHE   5  -9.819  -0.176   1.673
   33    HA   PHE   5           HA       PHE   5  -8.637   1.789  -0.159
   34    HB2  PHE   5           HB3      PHE   5  -8.195   1.579   2.340
   35    HB3  PHE   5           HB2      PHE   5  -7.281   0.118   1.971
   36    HD1  PHE   5           HD1      PHE   5  -7.320   3.802   1.666
   37    HD2  PHE   5           HD2      PHE   5  -5.025   0.171   1.312
   38    HE1  PHE   5           HE1      PHE   5  -5.231   5.107   1.889
   39    HE2  PHE   5           HE2      PHE   5  -2.923   1.482   1.570
   40    HZ   PHE   5           HZ       PHE   5  -3.047   3.962   1.902
   41    H    ARG   6           H        ARG   6  -7.065   1.489  -1.634
   42    HA   ARG   6           HA       ARG   6  -6.863  -1.130  -2.937
   43    HB2  ARG   6           HB2      ARG   6  -7.047   1.451  -3.814
   44    HB3  ARG   6           HB3      ARG   6  -5.310   1.171  -3.983
   45    HG2  ARG   6           HG3      ARG   6  -7.467  -0.581  -5.226
   46    HG3  ARG   6           HG2      ARG   6  -6.657   0.757  -6.056
   47    HD2  ARG   6           HD3      ARG   6  -4.477  -0.417  -5.807
   48    HD3  ARG   6           HD2      ARG   6  -5.315  -1.771  -5.020
   49    HE   ARG   6           HE       ARG   6  -5.374  -1.072  -7.898
   50   HH11  ARG   6          HH11      ARG   6  -7.294  -4.372  -6.532
   51   HH12  ARG   6          HH12      ARG   6  -6.711  -3.226  -5.347
   52   HH21  ARG   6          HH21      ARG   6  -6.983  -4.017  -8.720
   53   HH22  ARG   6          HH22      ARG   6  -6.151  -2.590  -9.296
   54    H    GLY   7           H        GLY   7  -4.308   1.275  -2.241
   55    HA2  GLY   7           HA3      GLY   7  -2.760   0.006  -0.336
   56    HA3  GLY   7           HA2      GLY   7  -2.261  -0.762  -1.851
   57    H    ILE   8           H        ILE   8  -2.992   2.588  -0.802
   58    HA   ILE   8           HA       ILE   8  -0.854   3.768  -2.377
   59    HB   ILE   8           HB       ILE   8  -2.661   4.911  -0.227
   60   HG12  ILE   8          HG13      ILE   8  -3.616   6.015  -2.524
   61   HG13  ILE   8          HG12      ILE   8  -3.115   4.429  -3.119
   62   HG21  ILE   8          HG21      ILE   8  -0.623   6.282  -0.571
   63   HG22  ILE   8          HG22      ILE   8  -2.121   7.131  -1.023
   64   HG23  ILE   8          HG23      ILE   8  -1.060   6.463  -2.287
   65   HD11  ILE   8          HD11      ILE   8  -5.491   4.426  -2.496
   66   HD12  ILE   8          HD12      ILE   8  -4.562   3.323  -1.453
   67   HD13  ILE   8          HD13      ILE   8  -5.068   4.915  -0.838
   68    H    ASN   9           H        ASN   9  -1.428   3.579   1.156
   69    HA   ASN   9           HA       ASN   9   1.237   4.239   1.966
   70    HB2  ASN   9           HB2      ASN   9  -0.988   4.440   3.209
   71    HB3  ASN   9           HB3      ASN   9  -0.760   2.748   3.653
   72   HD21  ASN   9          HD21      ASN   9  -1.032   4.089   5.845
   73   HD22  ASN   9          HD22      ASN   9   0.480   4.556   6.591
   74    H    GLY  10           H        GLY  10  -0.373   1.024   1.726
   75    HA2  GLY  10           HA2      GLY  10   1.608  -0.639   2.801
   76    HA3  GLY  10           HA3      GLY  10   0.512  -1.109   1.494
   77    H    HIS  11           H        HIS  11   1.362   0.255  -0.692
   78    HA   HIS  11           HA       HIS  11   3.828  -1.025  -1.471
   79    HB2  HIS  11           HB3      HIS  11   1.979   1.016  -2.741
   80    HB3  HIS  11           HB2      HIS  11   3.496   0.544  -3.520
   81    HD1  HIS  11           HD1      HIS  11   0.067  -1.093  -2.481
   82    HD2  HIS  11           HD2      HIS  11   3.564  -1.646  -4.889
   83    HE1  HIS  11           HE1      HIS  11  -0.246  -3.095  -4.068
   84    H    ASN  12           H        ASN  12   3.091   2.367  -0.441
   85    HA   ASN  12           HA       ASN  12   5.569   3.554  -1.133
   86    HB2  ASN  12           HB2      ASN  12   3.438   4.697  -0.517
   87    HB3  ASN  12           HB3      ASN  12   3.760   4.319   1.180
   88   HD21  ASN  12          HD21      ASN  12   5.895   7.112   1.669
   89   HD22  ASN  12          HD22      ASN  12   5.074   5.737   2.371
   90    H    SER  13           H        SER  13   4.865   1.558   1.761
   91    HA   SER  13           HA       SER  13   7.617   2.056   2.743
   92    HB2  SER  13           HB3      SER  13   5.053   1.518   4.134
   93    HB3  SER  13           HB2      SER  13   6.499   0.753   4.831
   94    HG   SER  13           HG       SER  13   6.147   2.891   5.641
   95    H    SER  14           H        SER  14   5.478  -0.761   1.848
   96    HA   SER  14           HA       SER  14   7.566  -2.623   2.559
   97    HB2  SER  14           HB3      SER  14   5.216  -3.268   2.661
   98    HB3  SER  14           HB2      SER  14   5.154  -3.255   0.886
   99    HG   SER  14           HG       SER  14   5.598  -5.356   1.743
  100    H    SER  15           H        SER  15   6.583  -1.320  -0.655
  101    HA   SER  15           HA       SER  15   8.663  -2.733  -2.077
  102    HB2  SER  15           HB3      SER  15   6.534  -1.733  -3.029
  103    HB3  SER  15           HB2      SER  15   7.296  -0.135  -2.873
  104    HG   SER  15           HG       SER  15   7.599  -1.064  -4.969
  105    H    SER  16           H        SER  16   8.991  -0.011   0.113
  106    HA   SER  16           HA       SER  16  11.277   1.192  -1.276
  107    HB2  SER  16           HB2      SER  16  11.351   2.788   0.537
  108    HB3  SER  16           HB3      SER  16   9.678   2.602  -0.022
  109    HG   SER  16           HG       SER  16   9.851   2.618   2.276
  110    H    LEU  17           H        LEU  17  13.333   0.611  -1.128
  111    HA   LEU  17           HA       LEU  17  14.177  -1.586   0.600
  112    HB2  LEU  17           HB2      LEU  17  15.425   0.140  -1.533
  113    HB3  LEU  17           HB3      LEU  17  16.443  -0.924  -0.559
  114    HG   LEU  17           HG       LEU  17  15.815  -1.806  -2.773
  115   HD11  LEU  17          HD21      LEU  17  16.502  -3.290  -0.916
  116   HD12  LEU  17          HD22      LEU  17  15.493  -4.079  -2.152
  117   HD13  LEU  17          HD23      LEU  17  14.782  -3.613  -0.588
  118   HD21  LEU  17          HD11      LEU  17  13.475  -1.019  -2.967
  119   HD22  LEU  17          HD12      LEU  17  13.707  -2.739  -3.362
  120   HD23  LEU  17          HD13      LEU  17  12.997  -2.272  -1.797
  Start of MODEL    8
    1    H1   ASN   1           H1       ASN   1 -11.117   9.540  -1.828
    2    H2   ASN   1           H2       ASN   1 -12.352   8.621  -2.417
    3    H3   ASN   1           H3       ASN   1 -11.164   7.922  -1.511
    4    HA   ASN   1           HA       ASN   1 -13.188   9.838  -0.651
    5    HB2  ASN   1           HB3      ASN   1 -13.831   7.463  -1.114
    6    HB3  ASN   1           HB2      ASN   1 -12.803   6.983   0.241
    7   HD21  ASN   1          HD21      ASN   1 -13.920   6.570   2.092
    8   HD22  ASN   1          HD22      ASN   1 -15.402   7.366   2.573
    9    H    VAL   2           H        VAL   2 -10.086   8.642   0.184
   10    HA   VAL   2           HA       VAL   2  -8.516   9.175   1.663
   11    HB   VAL   2           HB       VAL   2 -10.318  11.484   2.164
   12   HG11  VAL   2          HG21      VAL   2  -9.080  11.188   4.301
   13   HG12  VAL   2          HG22      VAL   2  -7.555  11.341   3.396
   14   HG13  VAL   2          HG23      VAL   2  -8.701  12.702   3.447
   15   HG21  VAL   2          HG11      VAL   2  -9.094  11.333   0.000
   16   HG22  VAL   2          HG12      VAL   2  -7.563  11.426   0.902
   17   HG23  VAL   2          HG13      VAL   2  -8.709  12.787   0.952
   18    H    HIS   3           H        HIS   3 -11.638   9.050   3.158
   19    HA   HIS   3           HA       HIS   3 -10.856   8.264   5.786
   20    HB2  HIS   3           HB3      HIS   3 -13.053   9.307   4.878
   21    HB3  HIS   3           HB2      HIS   3 -13.541   7.625   4.587
   22    HD1  HIS   3           HD1      HIS   3 -15.414   7.623   6.591
   23    HD2  HIS   3           HD2      HIS   3 -11.357   8.559   7.634
   24    HE1  HIS   3           HE1      HIS   3 -15.114   7.602   9.149
   25    H    THR   4           H        THR   4 -11.984   6.263   3.042
   26    HA   THR   4           HA       THR   4 -11.559   3.755   4.461
   27    HB   THR   4           HB       THR   4 -12.149   2.776   2.182
   28    HG1  THR   4           HG1      THR   4 -11.649   4.679   0.958
   29   HG21  THR   4          HG21      THR   4 -14.552   3.282   2.317
   30   HG22  THR   4          HG22      THR   4 -14.206   4.607   3.456
   31   HG23  THR   4          HG23      THR   4 -13.855   2.924   3.916
   32    H    PHE   5           H        PHE   5 -10.218   4.794   1.280
   33    HA   PHE   5           HA       PHE   5  -8.165   4.735   0.346
   34    HB2  PHE   5           HB3      PHE   5  -7.495   5.871   2.532
   35    HB3  PHE   5           HB2      PHE   5  -6.838   4.305   3.009
   36    HD1  PHE   5           HD1      PHE   5  -6.409   7.192   0.752
   37    HD2  PHE   5           HD2      PHE   5  -4.722   3.546   2.307
   38    HE1  PHE   5           HE1      PHE   5  -4.150   7.954   0.077
   39    HE2  PHE   5           HE2      PHE   5  -2.457   4.330   1.666
   40    HZ   PHE   5           HZ       PHE   5  -2.176   6.559   0.569
   41    H    ARG   6           H        ARG   6  -6.908   3.385  -0.732
   42    HA   ARG   6           HA       ARG   6  -7.288   0.502  -0.334
   43    HB2  ARG   6           HB2      ARG   6  -7.293   2.008  -2.535
   44    HB3  ARG   6           HB3      ARG   6  -5.573   1.607  -2.525
   45    HG2  ARG   6           HG3      ARG   6  -7.799  -0.467  -2.484
   46    HG3  ARG   6           HG2      ARG   6  -7.029   0.134  -3.962
   47    HD2  ARG   6           HD3      ARG   6  -4.830  -0.722  -3.145
   48    HD3  ARG   6           HD2      ARG   6  -5.644  -1.381  -1.710
   49    HE   ARG   6           HE       ARG   6  -6.995  -2.403  -3.985
   50   HH11  ARG   6          HH11      ARG   6  -5.135  -5.289  -4.419
   51   HH12  ARG   6          HH12      ARG   6  -6.624  -4.440  -4.765
   52   HH21  ARG   6          HH21      ARG   6  -3.529  -4.353  -3.170
   53   HH22  ARG   6          HH22      ARG   6  -3.730  -2.746  -2.509
   54    H    GLY   7           H        GLY   7  -4.338   2.256  -1.232
   55    HA2  GLY   7           HA3      GLY   7  -2.744   2.027   1.024
   56    HA3  GLY   7           HA2      GLY   7  -2.577   0.455   0.222
   57    H    ILE   8           H        ILE   8  -2.683   3.878  -0.853
   58    HA   ILE   8           HA       ILE   8  -0.679   3.534  -2.918
   59    HB   ILE   8           HB       ILE   8  -1.941   6.009  -1.704
   60   HG12  ILE   8          HG13      ILE   8  -3.096   5.839  -4.163
   61   HG13  ILE   8          HG12      ILE   8  -2.917   4.123  -3.778
   62   HG21  ILE   8          HG21      ILE   8   0.181   6.519  -2.879
   63   HG22  ILE   8          HG22      ILE   8  -0.498   5.814  -4.366
   64   HG23  ILE   8          HG23      ILE   8  -1.241   7.263  -3.649
   65   HD11  ILE   8          HD11      ILE   8  -5.138   4.947  -3.127
   66   HD12  ILE   8          HD12      ILE   8  -4.209   4.434  -1.698
   67   HD13  ILE   8          HD13      ILE   8  -4.389   6.166  -2.069
   68    H    ASN   9           H        ASN   9  -0.689   5.417   0.131
   69    HA   ASN   9           HA       ASN   9   2.114   5.919   0.266
   70    HB2  ASN   9           HB2      ASN   9   0.154   7.102   1.388
   71    HB3  ASN   9           HB3      ASN   9   0.257   5.863   2.637
   72   HD21  ASN   9          HD21      ASN   9   0.475   8.150   3.812
   73   HD22  ASN   9          HD22      ASN   9   2.126   8.659   4.087
   74    H    GLY  10           H        GLY  10   0.182   3.378   1.940
   75    HA2  GLY  10           HA2      GLY  10   2.178   2.177   3.511
   76    HA3  GLY  10           HA3      GLY  10   0.796   1.317   2.814
   77    H    HIS  11           H        HIS  11   1.313   1.219   0.133
   78    HA   HIS  11           HA       HIS  11   3.387  -0.752  -0.162
   79    HB2  HIS  11           HB3      HIS  11   1.541   0.750  -2.023
   80    HB3  HIS  11           HB2      HIS  11   2.850  -0.237  -2.692
   81    HD1  HIS  11           HD1      HIS  11   2.204  -2.845  -3.053
   82    HD2  HIS  11           HD2      HIS  11  -0.154  -0.564  -0.311
   83    HE1  HIS  11           HE1      HIS  11   0.162  -4.218  -2.270
   84    H    ASN  12           H        ASN  12   3.343   2.786  -0.938
   85    HA   ASN  12           HA       ASN  12   5.763   2.900  -2.413
   86    HB2  ASN  12           HB3      ASN  12   3.988   4.659  -2.235
   87    HB3  ASN  12           HB2      ASN  12   4.599   5.052  -0.623
   88   HD21  ASN  12          HD21      ASN  12   6.610   6.395  -3.976
   89   HD22  ASN  12          HD22      ASN  12   5.367   5.173  -4.120
   90    H    SER  13           H        SER  13   5.382   2.718   1.138
   91    HA   SER  13           HA       SER  13   8.297   3.098   1.519
   92    HB2  SER  13           HB3      SER  13   6.350   4.253   2.940
   93    HB3  SER  13           HB2      SER  13   6.502   2.754   3.886
   94    HG   SER  13           HG       SER  13   7.936   4.416   4.617
   95    H    SER  14           H        SER  14   5.751   0.639   2.405
   96    HA   SER  14           HA       SER  14   7.725  -1.116   3.514
   97    HB2  SER  14           HB3      SER  14   5.397  -1.178   4.240
   98    HB3  SER  14           HB2      SER  14   4.965  -1.960   2.704
   99    HG   SER  14           HG       SER  14   5.376  -3.486   4.393
  100    H    SER  15           H        SER  15   6.220  -1.209   0.241
  101    HA   SER  15           HA       SER  15   7.818  -3.459  -0.617
  102    HB2  SER  15           HB3      SER  15   5.659  -2.628  -1.653
  103    HB3  SER  15           HB2      SER  15   6.594  -1.295  -2.365
  104    HG   SER  15           HG       SER  15   6.397  -3.104  -3.795
  105    H    SER  16           H        SER  16   8.782  -0.113  -0.081
  106    HA   SER  16           HA       SER  16  11.029  -0.201  -1.997
  107    HB2  SER  16           HB3      SER  16   9.721   1.892  -1.654
  108    HB3  SER  16           HB2      SER  16  10.234   1.917   0.047
  109    HG   SER  16           HG       SER  16  11.570   3.235  -1.304
  110    H    LEU  17           H        LEU  17  12.876  -1.182  -1.504
  111    HA   LEU  17           HA       LEU  17  13.542  -2.044   1.206
  112    HB2  LEU  17           HB2      LEU  17  14.757  -2.303  -1.540
  113    HB3  LEU  17           HB3      LEU  17  15.677  -2.800  -0.118
  114    HG   LEU  17           HG       LEU  17  14.564  -4.628  -1.324
  115   HD11  LEU  17          HD21      LEU  17  15.180  -4.828   1.065
  116   HD12  LEU  17          HD22      LEU  17  13.496  -4.445   1.494
  117   HD13  LEU  17          HD23      LEU  17  13.863  -5.910   0.552
  118   HD21  LEU  17          HD11      LEU  17  12.440  -3.548  -1.998
  119   HD22  LEU  17          HD12      LEU  17  12.247  -5.155  -1.256
  120   HD23  LEU  17          HD13      LEU  17  11.878  -3.689  -0.315
  Start of MODEL    9
    1    H1   ASN   1           H1       ASN   1  -8.394   7.561  -2.622
    2    H2   ASN   1           H2       ASN   1  -9.567   7.341  -3.760
    3    H3   ASN   1           H3       ASN   1  -9.764   6.725  -2.243
    4    HA   ASN   1           HA       ASN   1  -9.668   9.567  -2.979
    5    HB2  ASN   1           HB3      ASN   1 -11.716   8.093  -3.551
    6    HB3  ASN   1           HB2      ASN   1 -11.992   8.004  -1.807
    7   HD21  ASN   1          HD21      ASN   1 -13.797  11.025  -1.716
    8   HD22  ASN   1          HD22      ASN   1 -13.408   9.489  -0.975
    9    H    VAL   2           H        VAL   2 -10.187  11.055  -1.215
   10    HA   VAL   2           HA       VAL   2  -8.593  10.643   1.094
   11    HB   VAL   2           HB       VAL   2 -10.652  12.800   0.669
   12   HG11  VAL   2          HG11      VAL   2  -9.925  12.643   3.052
   13   HG12  VAL   2          HG12      VAL   2  -9.465  14.172   2.268
   14   HG13  VAL   2          HG13      VAL   2  -8.245  12.901   2.524
   15   HG21  VAL   2          HG21      VAL   2  -8.914  12.771  -1.125
   16   HG22  VAL   2          HG22      VAL   2  -7.665  12.974   0.126
   17   HG23  VAL   2          HG23      VAL   2  -8.884  14.245  -0.130
   18    H    HIS   3           H        HIS   3 -12.164  10.338   0.850
   19    HA   HIS   3           HA       HIS   3 -12.595   9.882   3.651
   20    HB2  HIS   3           HB3      HIS   3 -14.222  10.577   1.716
   21    HB3  HIS   3           HB2      HIS   3 -14.455   8.824   1.539
   22    HD1  HIS   3           HD1      HIS   3 -17.022   8.937   2.533
   23    HD2  HIS   3           HD2      HIS   3 -13.823  10.336   5.027
   24    HE1  HIS   3           HE1      HIS   3 -17.845   9.262   4.950
   25    H    THR   4           H        THR   4 -12.147   7.561   0.975
   26    HA   THR   4           HA       THR   4 -12.406   5.249   2.759
   27    HB   THR   4           HB       THR   4 -12.097   3.982   0.573
   28    HG1  THR   4           HG1      THR   4 -12.501   6.533  -0.602
   29   HG21  THR   4          HG21      THR   4 -14.362   4.408  -0.280
   30   HG22  THR   4          HG22      THR   4 -14.463   5.874   0.726
   31   HG23  THR   4          HG23      THR   4 -14.334   4.274   1.495
   32    H    PHE   5           H        PHE   5  -9.968   5.802   0.197
   33    HA   PHE   5           HA       PHE   5  -7.740   5.560   0.044
   34    HB2  PHE   5           HB3      PHE   5  -7.632   5.795   3.046
   35    HB3  PHE   5           HB2      PHE   5  -6.217   5.568   2.022
   36    HD1  PHE   5           HD1      PHE   5  -5.949   7.235  -0.017
   37    HD2  PHE   5           HD2      PHE   5  -7.847   8.036   3.766
   38    HE1  PHE   5           HE1      PHE   5  -5.257   9.620  -0.179
   39    HE2  PHE   5           HE2      PHE   5  -7.114  10.394   3.630
   40    HZ   PHE   5           HZ       PHE   5  -5.811  11.191   1.664
   41    H    ARG   6           H        ARG   6  -6.823   3.837  -0.720
   42    HA   ARG   6           HA       ARG   6  -7.437   1.166   0.345
   43    HB2  ARG   6           HB3      ARG   6  -7.137   2.247  -2.173
   44    HB3  ARG   6           HB2      ARG   6  -5.577   1.452  -1.938
   45    HG2  ARG   6           HG2      ARG   6  -6.863  -0.146  -3.054
   46    HG3  ARG   6           HG3      ARG   6  -6.901  -0.671  -1.364
   47    HD2  ARG   6           HD2      ARG   6  -9.173   0.279  -1.111
   48    HD3  ARG   6           HD3      ARG   6  -9.133   0.849  -2.792
   49    HE   ARG   6           HE       ARG   6  -9.448  -1.369  -3.557
   50   HH11  ARG   6          HH11      ARG   6 -10.341  -4.170  -1.741
   51   HH12  ARG   6          HH12      ARG   6 -10.207  -3.426  -3.319
   52   HH21  ARG   6          HH21      ARG   6  -9.753  -3.064   0.113
   53   HH22  ARG   6          HH22      ARG   6  -9.144  -1.427   0.027
   54    H    GLY   7           H        GLY   7  -4.366   2.439  -0.926
   55    HA2  GLY   7           HA3      GLY   7  -2.806   2.473   1.429
   56    HA3  GLY   7           HA2      GLY   7  -2.667   0.840   0.747
   57    H    ILE   8           H        ILE   8  -2.682   4.214  -0.471
   58    HA   ILE   8           HA       ILE   8  -0.825   3.742  -2.629
   59    HB   ILE   8           HB       ILE   8  -1.805   6.305  -1.344
   60   HG12  ILE   8          HG13      ILE   8  -3.158   6.232  -3.699
   61   HG13  ILE   8          HG12      ILE   8  -3.089   4.506  -3.323
   62   HG21  ILE   8          HG21      ILE   8   0.254   6.639  -2.686
   63   HG22  ILE   8          HG22      ILE   8  -0.596   5.992  -4.110
   64   HG23  ILE   8          HG23      ILE   8  -1.159   7.498  -3.345
   65   HD11  ILE   8          HD11      ILE   8  -5.182   5.503  -2.505
   66   HD12  ILE   8          HD12      ILE   8  -4.190   4.914  -1.150
   67   HD13  ILE   8          HD13      ILE   8  -4.258   6.655  -1.512
   68    H    ASN   9           H        ASN   9  -0.493   5.623   0.394
   69    HA   ASN   9           HA       ASN   9   2.344   5.928   0.327
   70    HB2  ASN   9           HB2      ASN   9   0.538   7.265   1.545
   71    HB3  ASN   9           HB3      ASN   9   0.655   6.051   2.818
   72   HD21  ASN   9          HD21      ASN   9   1.101   8.343   3.911
   73   HD22  ASN   9          HD22      ASN   9   2.796   8.754   4.053
   74    H    GLY  10           H        GLY  10   0.357   3.556   2.175
   75    HA2  GLY  10           HA2      GLY  10   2.341   2.269   3.677
   76    HA3  GLY  10           HA3      GLY  10   0.889   1.475   3.051
   77    H    HIS  11           H        HIS  11   1.282   1.255   0.379
   78    HA   HIS  11           HA       HIS  11   3.289  -0.798   0.075
   79    HB2  HIS  11           HB2      HIS  11   1.393   0.641  -1.793
   80    HB3  HIS  11           HB3      HIS  11   2.584  -0.507  -2.422
   81    HD1  HIS  11           HD1      HIS  11  -0.607  -0.473  -0.120
   82    HD2  HIS  11           HD2      HIS  11   2.064  -3.048  -2.257
   83    HE1  HIS  11           HE1      HIS  11  -1.547  -2.869  -0.203
   84    H    ASN  12           H        ASN  12   3.221   2.694  -0.947
   85    HA   ASN  12           HA       ASN  12   5.567   2.663  -2.534
   86    HB2  ASN  12           HB2      ASN  12   3.859   4.479  -2.370
   87    HB3  ASN  12           HB3      ASN  12   4.573   4.966  -0.827
   88   HD21  ASN  12          HD21      ASN  12   7.085   6.957  -2.326
   89   HD22  ASN  12          HD22      ASN  12   6.259   6.450  -0.869
   90    H    SER  13           H        SER  13   5.338   2.820   1.009
   91    HA   SER  13           HA       SER  13   8.219   3.221   1.417
   92    HB2  SER  13           HB2      SER  13   7.521   3.343   3.801
   93    HB3  SER  13           HB3      SER  13   6.539   4.415   2.785
   94    HG   SER  13           HG       SER  13   5.025   3.409   3.950
   95    H    SER  14           H        SER  14   5.818   0.641   2.363
   96    HA   SER  14           HA       SER  14   7.902  -1.027   3.401
   97    HB2  SER  14           HB3      SER  14   5.636  -1.123   4.283
   98    HB3  SER  14           HB2      SER  14   5.114  -1.948   2.798
   99    HG   SER  14           HG       SER  14   5.666  -3.426   4.489
  100    H    SER  15           H        SER  15   6.224  -1.210   0.217
  101    HA   SER  15           HA       SER  15   7.802  -3.471  -0.652
  102    HB2  SER  15           HB3      SER  15   6.458  -1.377  -2.398
  103    HB3  SER  15           HB2      SER  15   7.037  -2.973  -2.914
  104    HG   SER  15           HG       SER  15   4.769  -2.948  -2.485
  105    H    SER  16           H        SER  16   8.743  -0.075  -0.290
  106    HA   SER  16           HA       SER  16  11.013  -0.369  -2.185
  107    HB2  SER  16           HB3      SER  16   9.645   1.709  -2.260
  108    HB3  SER  16           HB2      SER  16  10.096   2.051  -0.575
  109    HG   SER  16           HG       SER  16  11.457   3.140  -2.096
  110    H    LEU  17           H        LEU  17  12.560  -1.635  -1.300
  111    HA   LEU  17           HA       LEU  17  13.232  -1.583   1.552
  112    HB2  LEU  17           HB2      LEU  17  14.167  -3.069  -0.899
  113    HB3  LEU  17           HB3      LEU  17  15.090  -3.178   0.603
  114    HG   LEU  17           HG       LEU  17  13.565  -5.061   0.171
  115   HD11  LEU  17          HD11      LEU  17  14.351  -4.493   2.447
  116   HD12  LEU  17          HD12      LEU  17  12.807  -3.656   2.732
  117   HD13  LEU  17          HD13      LEU  17  12.824  -5.406   2.403
  118   HD21  LEU  17          HD21      LEU  17  11.613  -3.906  -0.820
  119   HD22  LEU  17          HD22      LEU  17  11.191  -3.309   0.802
  120   HD23  LEU  17          HD23      LEU  17  11.208  -5.059   0.474
  Start of MODEL   10
    1    H1   ASN   1           H1       ASN   1 -10.812  -6.164   3.048
    2    H2   ASN   1           H2       ASN   1 -10.554  -6.298   4.671
    3    H3   ASN   1           H3       ASN   1  -9.553  -7.068   3.610
    4    HA   ASN   1           HA       ASN   1  -9.848  -4.196   4.039
    5    HB2  ASN   1           HB3      ASN   1  -8.632  -5.754   5.679
    6    HB3  ASN   1           HB2      ASN   1  -7.355  -5.825   4.461
    7   HD21  ASN   1          HD21      ASN   1  -5.851  -4.128   4.327
    8   HD22  ASN   1          HD22      ASN   1  -5.907  -2.723   5.368
    9    H    VAL   2           H        VAL   2  -9.272  -6.262   1.518
   10    HA   VAL   2           HA       VAL   2  -7.342  -4.635   0.047
   11    HB   VAL   2           HB       VAL   2  -8.851  -7.092  -0.850
   12   HG11  VAL   2          HG11      VAL   2  -8.104  -5.698  -2.779
   13   HG12  VAL   2          HG12      VAL   2  -7.318  -7.293  -2.712
   14   HG13  VAL   2          HG13      VAL   2  -6.430  -5.841  -2.195
   15   HG21  VAL   2          HG21      VAL   2  -7.242  -7.568   0.998
   16   HG22  VAL   2          HG22      VAL   2  -6.821  -8.372  -0.534
   17   HG23  VAL   2          HG23      VAL   2  -5.932  -6.919  -0.017
   18    H    HIS   3           H        HIS   3 -10.801  -5.511  -0.523
   19    HA   HIS   3           HA       HIS   3 -11.285  -3.673  -2.626
   20    HB2  HIS   3           HB3      HIS   3 -12.611  -5.741  -1.699
   21    HB3  HIS   3           HB2      HIS   3 -13.463  -4.517  -0.736
   22    HD1  HIS   3           HD1      HIS   3 -15.788  -4.820  -2.183
   23    HD2  HIS   3           HD2      HIS   3 -12.231  -3.642  -4.280
   24    HE1  HIS   3           HE1      HIS   3 -16.370  -4.009  -4.557
   25    H    THR   4           H        THR   4 -11.834  -3.210   0.867
   26    HA   THR   4           HA       THR   4 -12.971  -0.568   0.627
   27    HB   THR   4           HB       THR   4 -12.628  -0.563   3.145
   28    HG1  THR   4           HG1      THR   4 -11.896  -3.277   2.755
   29   HG21  THR   4          HG21      THR   4 -14.379  -2.214   3.652
   30   HG22  THR   4          HG22      THR   4 -14.214  -2.889   2.014
   31   HG23  THR   4          HG23      THR   4 -14.792  -1.220   2.235
   32    H    PHE   5           H        PHE   5  -9.894  -1.525   2.242
   33    HA   PHE   5           HA       PHE   5  -8.795   1.184   1.846
   34    HB2  PHE   5           HB3      PHE   5  -7.754  -1.251   3.343
   35    HB3  PHE   5           HB2      PHE   5  -6.854   0.260   3.184
   36    HD1  PHE   5           HD1      PHE   5  -9.750  -1.389   4.815
   37    HD2  PHE   5           HD2      PHE   5  -7.537   2.291   4.405
   38    HE1  PHE   5           HE1      PHE   5 -10.914  -0.461   6.794
   39    HE2  PHE   5           HE2      PHE   5  -8.699   3.209   6.393
   40    HZ   PHE   5           HZ       PHE   5 -10.393   1.833   7.583
   41    H    ARG   6           H        ARG   6  -7.409   1.776   0.328
   42    HA   ARG   6           HA       ARG   6  -6.522  -0.105  -1.736
   43    HB2  ARG   6           HB3      ARG   6  -7.343   2.510  -1.711
   44    HB3  ARG   6           HB2      ARG   6  -5.590   2.709  -1.770
   45    HG2  ARG   6           HG2      ARG   6  -6.070   2.765  -3.997
   46    HG3  ARG   6           HG3      ARG   6  -5.736   1.041  -3.799
   47    HD2  ARG   6           HD3      ARG   6  -8.560   2.159  -3.735
   48    HD3  ARG   6           HD2      ARG   6  -7.747   1.712  -5.248
   49    HE   ARG   6           HE       ARG   6  -7.554  -0.518  -3.520
   50   HH11  ARG   6          HH11      ARG   6  -8.900  -2.264  -3.695
   51   HH12  ARG   6          HH12      ARG   6 -10.477  -2.124  -4.438
   52   HH21  ARG   6          HH21      ARG   6 -10.206   1.261  -5.176
   53   HH22  ARG   6          HH22      ARG   6 -11.202  -0.174  -5.260
   54    H    GLY   7           H        GLY   7  -4.709   2.495  -0.105
   55    HA2  GLY   7           HA3      GLY   7  -2.743   2.177   1.279
   56    HA3  GLY   7           HA2      GLY   7  -2.438   0.638   0.453
   57    H    ILE   8           H        ILE   8  -2.788   4.115  -0.362
   58    HA   ILE   8           HA       ILE   8  -0.988   4.021  -2.630
   59    HB   ILE   8           HB       ILE   8  -2.133   6.347  -1.061
   60   HG12  ILE   8          HG13      ILE   8  -3.549   6.405  -3.377
   61   HG13  ILE   8          HG12      ILE   8  -3.317   4.662  -3.201
   62   HG21  ILE   8          HG21      ILE   8  -0.150   6.994  -2.403
   63   HG22  ILE   8          HG22      ILE   8  -1.649   7.790  -2.938
   64   HG23  ILE   8          HG23      ILE   8  -0.985   6.425  -3.869
   65   HD11  ILE   8          HD11      ILE   8  -5.462   5.369  -2.230
   66   HD12  ILE   8          HD12      ILE   8  -4.380   4.725  -0.973
   67   HD13  ILE   8          HD13      ILE   8  -4.612   6.483  -1.133
   68    H    ASN   9           H        ASN   9  -0.712   5.602   0.568
   69    HA   ASN   9           HA       ASN   9   2.092   6.134   0.444
   70    HB2  ASN   9           HB2      ASN   9   0.226   7.219   1.821
   71    HB3  ASN   9           HB3      ASN   9   0.505   5.929   2.991
   72   HD21  ASN   9          HD21      ASN   9   2.464   8.709   4.345
   73   HD22  ASN   9          HD22      ASN   9   0.806   8.160   4.242
   74    H    GLY  10           H        GLY  10   0.356   3.444   2.130
   75    HA2  GLY  10           HA2      GLY  10   2.604   2.236   3.388
   76    HA3  GLY  10           HA3      GLY  10   1.140   1.375   2.874
   77    H    HIS  11           H        HIS  11   1.177   1.180   0.165
   78    HA   HIS  11           HA       HIS  11   3.245  -0.613  -0.514
   79    HB2  HIS  11           HB2      HIS  11   1.322   1.039  -2.144
   80    HB3  HIS  11           HB3      HIS  11   2.535   0.026  -2.946
   81    HD1  HIS  11           HD1      HIS  11  -0.575  -0.395  -0.546
   82    HD2  HIS  11           HD2      HIS  11   2.079  -2.515  -3.149
   83    HE1  HIS  11           HE1      HIS  11  -1.401  -2.809  -0.896
   84    H    ASN  12           H        ASN  12   3.306   3.013  -0.860
   85    HA   ASN  12           HA       ASN  12   5.749   2.890  -2.414
   86    HB2  ASN  12           HB3      ASN  12   4.222   4.847  -2.465
   87    HB3  ASN  12           HB2      ASN  12   4.789   5.280  -0.844
   88   HD21  ASN  12          HD21      ASN  12   7.141   6.071  -4.142
   89   HD22  ASN  12          HD22      ASN  12   5.710   5.077  -4.284
   90    H    SER  13           H        SER  13   5.077   2.973   1.067
   91    HA   SER  13           HA       SER  13   7.724   3.102   2.141
   92    HB2  SER  13           HB3      SER  13   5.345   3.302   3.258
   93    HB3  SER  13           HB2      SER  13   5.516   1.549   3.498
   94    HG   SER  13           HG       SER  13   6.355   2.775   5.273
   95    H    SER  14           H        SER  14   6.088   0.781   0.534
   96    HA   SER  14           HA       SER  14   6.515  -1.024  -0.723
   97    HB2  SER  14           HB3      SER  14   8.854  -0.604  -0.413
   98    HB3  SER  14           HB2      SER  14   8.806  -1.482   1.121
   99    HG   SER  14           HG       SER  14   9.599  -2.766  -0.607
  100    H    SER  15           H        SER  15   4.707  -0.547   0.942
  101    HA   SER  15           HA       SER  15   3.064  -1.185   2.217
  102    HB2  SER  15           HB2      SER  15   2.650  -2.372   0.365
  103    HB3  SER  15           HB3      SER  15   3.921  -3.566   0.684
  104    HG   SER  15           HG       SER  15   1.808  -4.400   1.052
  105    H    SER  16           H        SER  16   5.384  -0.384   3.332
  106    HA   SER  16           HA       SER  16   5.960  -2.055   5.710
  107    HB2  SER  16           HB3      SER  16   7.252   0.344   4.376
  108    HB3  SER  16           HB2      SER  16   7.683  -0.108   6.040
  109    HG   SER  16           HG       SER  16   9.048  -1.114   4.465
  110    H    LEU  17           H        LEU  17   4.631  -1.853   7.394
  111    HA   LEU  17           HA       LEU  17   2.963   0.496   7.861
  112    HB2  LEU  17           HB2      LEU  17   3.419  -2.169   9.194
  113    HB3  LEU  17           HB3      LEU  17   2.441  -0.936   9.992
  114    HG   LEU  17           HG       LEU  17   1.157  -2.660   8.816
  115   HD11  LEU  17          HD21      LEU  17   0.211  -0.416   9.259
  116   HD12  LEU  17          HD22      LEU  17  -0.546  -1.277   7.898
  117   HD13  LEU  17          HD23      LEU  17   0.609   0.041   7.585
  118   HD21  LEU  17          HD11      LEU  17   2.578  -3.066   6.831
  119   HD22  LEU  17          HD12      LEU  17   0.851  -2.842   6.465
  120   HD23  LEU  17          HD13      LEU  17   2.006  -1.524   6.152
  Start of MODEL   11
    1    H1   ASN   1           H1       ASN   1  -9.000   7.304  -2.721
    2    H2   ASN   1           H2       ASN   1 -10.315   7.026  -3.678
    3    H3   ASN   1           H3       ASN   1 -10.358   6.621  -2.079
    4    HA   ASN   1           HA       ASN   1 -10.200   9.330  -3.202
    5    HB2  ASN   1           HB3      ASN   1 -12.374   7.985  -3.357
    6    HB3  ASN   1           HB2      ASN   1 -12.434   8.047  -1.593
    7   HD21  ASN   1          HD21      ASN   1 -12.548  10.089  -4.550
    8   HD22  ASN   1          HD22      ASN   1 -13.424  11.406  -3.802
    9    H    VAL   2           H        VAL   2 -10.449  11.077  -1.581
   10    HA   VAL   2           HA       VAL   2  -8.558  10.896   0.512
   11    HB   VAL   2           HB       VAL   2 -10.653  13.031   0.154
   12   HG11  VAL   2          HG21      VAL   2  -9.581  13.124   2.407
   13   HG12  VAL   2          HG22      VAL   2  -7.998  13.287   1.611
   14   HG13  VAL   2          HG23      VAL   2  -9.236  14.548   1.395
   15   HG21  VAL   2          HG11      VAL   2  -9.200  12.769  -1.861
   16   HG22  VAL   2          HG12      VAL   2  -7.779  13.084  -0.837
   17   HG23  VAL   2          HG13      VAL   2  -9.017  14.344  -1.053
   18    H    HIS   3           H        HIS   3 -12.123  10.627   0.827
   19    HA   HIS   3           HA       HIS   3 -12.130  10.477   3.699
   20    HB2  HIS   3           HB3      HIS   3 -14.024  11.021   1.966
   21    HB3  HIS   3           HB2      HIS   3 -14.302   9.267   2.007
   22    HD1  HIS   3           HD1      HIS   3 -16.691   9.560   3.353
   23    HD2  HIS   3           HD2      HIS   3 -13.128  11.092   5.192
   24    HE1  HIS   3           HE1      HIS   3 -17.133  10.146   5.822
   25    H    THR   4           H        THR   4 -12.117   7.900   1.228
   26    HA   THR   4           HA       THR   4 -12.139   5.774   3.244
   27    HB   THR   4           HB       THR   4 -12.174   4.299   1.171
   28    HG1  THR   4           HG1      THR   4 -12.705   6.739  -0.177
   29   HG21  THR   4          HG21      THR   4 -14.533   4.709   0.615
   30   HG22  THR   4          HG22      THR   4 -14.248   4.740   2.371
   31   HG23  THR   4          HG23      THR   4 -14.464   6.265   1.478
   32    H    PHE   5           H        PHE   5 -10.099   5.994   0.311
   33    HA   PHE   5           HA       PHE   5  -7.924   5.667  -0.137
   34    HB2  PHE   5           HB3      PHE   5  -7.376   6.238   2.770
   35    HB3  PHE   5           HB2      PHE   5  -6.125   5.854   1.590
   36    HD1  PHE   5           HD1      PHE   5  -6.196   7.277  -0.672
   37    HD2  PHE   5           HD2      PHE   5  -7.422   8.547   3.259
   38    HE1  PHE   5           HE1      PHE   5  -5.495   9.603  -1.208
   39    HE2  PHE   5           HE2      PHE   5  -6.687  10.849   2.740
   40    HZ   PHE   5           HZ       PHE   5  -5.711  11.383   0.512
   41    H    ARG   6           H        ARG   6  -7.077   3.850  -0.806
   42    HA   ARG   6           HA       ARG   6  -7.675   1.317   0.514
   43    HB2  ARG   6           HB2      ARG   6  -7.361   2.222  -2.074
   44    HB3  ARG   6           HB3      ARG   6  -5.868   1.311  -1.822
   45    HG2  ARG   6           HG3      ARG   6  -8.666   0.192  -1.410
   46    HG3  ARG   6           HG2      ARG   6  -7.723   0.025  -2.899
   47    HD2  ARG   6           HD3      ARG   6  -5.985  -1.245  -1.649
   48    HD3  ARG   6           HD2      ARG   6  -6.965  -1.109  -0.177
   49    HE   ARG   6           HE       ARG   6  -7.502  -2.840  -2.519
   50   HH11  ARG   6          HH11      ARG   6  -8.764  -1.651   0.634
   51   HH12  ARG   6          HH12      ARG   6  -9.921  -2.959   0.732
   52   HH21  ARG   6          HH21      ARG   6  -9.000  -4.441  -2.279
   53   HH22  ARG   6          HH22      ARG   6 -10.051  -4.502  -0.881
   54    H    GLY   7           H        GLY   7  -4.559   2.551  -0.747
   55    HA2  GLY   7           HA3      GLY   7  -3.018   2.633   1.578
   56    HA3  GLY   7           HA2      GLY   7  -2.932   0.945   1.033
   57    H    ILE   8           H        ILE   8  -2.814   4.198  -0.478
   58    HA   ILE   8           HA       ILE   8  -0.937   3.473  -2.547
   59    HB   ILE   8           HB       ILE   8  -1.845   6.175  -1.517
   60   HG12  ILE   8          HG13      ILE   8  -3.160   5.942  -3.881
   61   HG13  ILE   8          HG12      ILE   8  -3.156   4.251  -3.361
   62   HG21  ILE   8          HG21      ILE   8   0.251   6.310  -2.835
   63   HG22  ILE   8          HG22      ILE   8  -0.595   5.567  -4.214
   64   HG23  ILE   8          HG23      ILE   8  -1.115   7.156  -3.602
   65   HD11  ILE   8          HD11      ILE   8  -5.228   5.384  -2.667
   66   HD12  ILE   8          HD12      ILE   8  -4.278   4.878  -1.250
   67   HD13  ILE   8          HD13      ILE   8  -4.281   6.584  -1.756
   68    H    ASN   9           H        ASN   9  -0.575   5.652   0.267
   69    HA   ASN   9           HA       ASN   9   2.221   5.956   0.275
   70    HB2  ASN   9           HB2      ASN   9   0.363   7.219   1.487
   71    HB3  ASN   9           HB3      ASN   9   0.516   6.008   2.759
   72   HD21  ASN   9          HD21      ASN   9   2.546   8.784   4.017
   73   HD22  ASN   9          HD22      ASN   9   0.869   8.309   3.862
   74    H    GLY  10           H        GLY  10   0.320   3.504   2.091
   75    HA2  GLY  10           HA2      GLY  10   2.351   2.285   3.605
   76    HA3  GLY  10           HA3      GLY  10   0.921   1.447   2.983
   77    H    HIS  11           H        HIS  11   1.329   1.301   0.286
   78    HA   HIS  11           HA       HIS  11   3.364  -0.712  -0.055
   79    HB2  HIS  11           HB2      HIS  11   1.461   0.750  -1.894
   80    HB3  HIS  11           HB3      HIS  11   2.681  -0.347  -2.554
   81    HD1  HIS  11           HD1      HIS  11  -0.524  -0.466  -0.271
   82    HD2  HIS  11           HD2      HIS  11   2.215  -2.902  -2.486
   83    HE1  HIS  11           HE1      HIS  11  -1.403  -2.881  -0.441
   84    H    ASN  12           H        ASN  12   3.276   2.811  -0.970
   85    HA   ASN  12           HA       ASN  12   5.638   2.845  -2.535
   86    HB2  ASN  12           HB2      ASN  12   4.493   5.030  -0.788
   87    HB3  ASN  12           HB3      ASN  12   5.844   5.269  -1.893
   88   HD21  ASN  12          HD21      ASN  12   3.590   4.991  -4.842
   89   HD22  ASN  12          HD22      ASN  12   5.052   4.203  -4.292
   90    H    SER  13           H        SER  13   5.397   2.786   0.998
   91    HA   SER  13           HA       SER  13   8.286   3.220   1.417
   92    HB2  SER  13           HB2      SER  13   7.583   3.328   3.799
   93    HB3  SER  13           HB3      SER  13   6.610   4.416   2.794
   94    HG   SER  13           HG       SER  13   5.089   3.407   3.951
   95    H    SER  14           H        SER  14   5.847   0.659   2.321
   96    HA   SER  14           HA       SER  14   7.898  -1.053   3.349
   97    HB2  SER  14           HB3      SER  14   5.612  -1.132   4.190
   98    HB3  SER  14           HB2      SER  14   5.110  -1.934   2.686
   99    HG   SER  14           HG       SER  14   5.614  -3.436   4.368
  100    H    SER  15           H        SER  15   6.284  -1.139   0.135
  101    HA   SER  15           HA       SER  15   7.808  -3.426  -0.756
  102    HB2  SER  15           HB3      SER  15   6.571  -1.242  -2.471
  103    HB3  SER  15           HB2      SER  15   7.114  -2.839  -3.022
  104    HG   SER  15           HG       SER  15   4.839  -2.759  -2.639
  105    H    SER  16           H        SER  16   8.854  -0.075  -0.286
  106    HA   SER  16           HA       SER  16  11.163  -0.404  -2.129
  107    HB2  SER  16           HB3      SER  16  10.181   2.003  -0.537
  108    HB3  SER  16           HB2      SER  16  11.636   1.993  -1.558
  109    HG   SER  16           HG       SER  16   9.772   2.793  -2.672
  110    H    LEU  17           H        LEU  17  12.650  -1.724  -1.228
  111    HA   LEU  17           HA       LEU  17  13.235  -1.759   1.642
  112    HB2  LEU  17           HB2      LEU  17  14.205  -3.212  -0.812
  113    HB3  LEU  17           HB3      LEU  17  15.075  -3.382   0.713
  114    HG   LEU  17           HG       LEU  17  13.514  -5.210   0.189
  115   HD11  LEU  17          HD11      LEU  17  14.240  -4.718   2.503
  116   HD12  LEU  17          HD12      LEU  17  12.710  -3.843   2.756
  117   HD13  LEU  17          HD13      LEU  17  12.690  -5.584   2.386
  118   HD21  LEU  17          HD21      LEU  17  11.628  -3.978  -0.838
  119   HD22  LEU  17          HD22      LEU  17  11.148  -5.148   0.414
  120   HD23  LEU  17          HD23      LEU  17  11.168  -3.407   0.784
  Start of MODEL   12
    1    H1   ASN   1           H1       ASN   1  -7.292  -4.405   4.461
    2    H2   ASN   1           H2       ASN   1  -8.460  -5.046   5.433
    3    H3   ASN   1           H3       ASN   1  -8.757  -3.659   4.593
    4    HA   ASN   1           HA       ASN   1  -8.320  -6.330   3.470
    5    HB2  ASN   1           HB2      ASN   1 -10.509  -5.738   4.681
    6    HB3  ASN   1           HB3      ASN   1 -10.839  -4.644   3.333
    7   HD21  ASN   1          HD21      ASN   1 -12.114  -5.498   1.727
    8   HD22  ASN   1          HD22      ASN   1 -12.273  -7.203   1.372
    9    H    VAL   2           H        VAL   2  -8.639  -6.531   1.187
   10    HA   VAL   2           HA       VAL   2  -7.219  -4.551  -0.331
   11    HB   VAL   2           HB       VAL   2  -8.604  -7.038  -1.318
   12   HG11  VAL   2          HG11      VAL   2  -8.136  -5.441  -3.179
   13   HG12  VAL   2          HG12      VAL   2  -7.233  -6.968  -3.306
   14   HG13  VAL   2          HG13      VAL   2  -6.411  -5.493  -2.745
   15   HG21  VAL   2          HG21      VAL   2  -6.799  -7.523   0.338
   16   HG22  VAL   2          HG22      VAL   2  -6.465  -8.164  -1.289
   17   HG23  VAL   2          HG23      VAL   2  -5.643  -6.688  -0.728
   18    H    HIS   3           H        HIS   3 -10.696  -5.506  -0.530
   19    HA   HIS   3           HA       HIS   3 -11.399  -3.729  -2.628
   20    HB2  HIS   3           HB3      HIS   3 -12.607  -5.796  -1.569
   21    HB3  HIS   3           HB2      HIS   3 -13.398  -4.573  -0.553
   22    HD1  HIS   3           HD1      HIS   3 -15.829  -4.902  -1.802
   23    HD2  HIS   3           HD2      HIS   3 -12.463  -3.752  -4.204
   24    HE1  HIS   3           HE1      HIS   3 -16.608  -4.136  -4.135
   25    H    THR   4           H        THR   4 -11.693  -3.182   0.890
   26    HA   THR   4           HA       THR   4 -12.819  -0.517   0.555
   27    HB   THR   4           HB       THR   4 -12.599  -0.473   3.085
   28    HG1  THR   4           HG1      THR   4 -12.218  -2.440   4.116
   29   HG21  THR   4          HG21      THR   4 -14.451  -2.030   3.529
   30   HG22  THR   4          HG22      THR   4 -14.235  -2.744   1.914
   31   HG23  THR   4          HG23      THR   4 -14.741  -1.045   2.075
   32    H    PHE   5           H        PHE   5  -9.860  -1.564   2.331
   33    HA   PHE   5           HA       PHE   5  -8.652   1.088   2.106
   34    HB2  PHE   5           HB3      PHE   5  -7.556  -1.523   3.218
   35    HB3  PHE   5           HB2      PHE   5  -6.717   0.028   3.279
   36    HD1  PHE   5           HD1      PHE   5  -7.030   1.446   5.177
   37    HD2  PHE   5           HD2      PHE   5  -9.810  -1.755   4.418
   38    HE1  PHE   5           HE1      PHE   5  -8.037   1.779   7.416
   39    HE2  PHE   5           HE2      PHE   5 -10.834  -1.397   6.664
   40    HZ   PHE   5           HZ       PHE   5  -9.929   0.365   8.158
   41    H    ARG   6           H        ARG   6  -7.347   1.829   0.575
   42    HA   ARG   6           HA       ARG   6  -6.511   0.109  -1.653
   43    HB2  ARG   6           HB2      ARG   6  -7.491   2.609  -1.548
   44    HB3  ARG   6           HB3      ARG   6  -5.769   3.001  -1.544
   45    HG2  ARG   6           HG3      ARG   6  -7.136   1.309  -3.670
   46    HG3  ARG   6           HG2      ARG   6  -6.873   3.055  -3.796
   47    HD2  ARG   6           HD3      ARG   6  -4.403   2.665  -3.639
   48    HD3  ARG   6           HD2      ARG   6  -4.712   0.918  -3.627
   49    HE   ARG   6           HE       ARG   6  -4.962   2.753  -5.936
   50   HH11  ARG   6          HH11      ARG   6  -5.599  -1.225  -6.385
   51   HH12  ARG   6          HH12      ARG   6  -5.489  -0.602  -4.754
   52   HH21  ARG   6          HH21      ARG   6  -5.393   0.135  -8.150
   53   HH22  ARG   6          HH22      ARG   6  -5.116   1.850  -7.942
   54    H    GLY   7           H        GLY   7  -4.713   2.632   0.112
   55    HA2  GLY   7           HA3      GLY   7  -2.680   2.372   1.342
   56    HA3  GLY   7           HA2      GLY   7  -2.412   0.805   0.555
   57    H    ILE   8           H        ILE   8  -2.758   4.267  -0.352
   58    HA   ILE   8           HA       ILE   8  -1.040   4.073  -2.679
   59    HB   ILE   8           HB       ILE   8  -2.081   6.474  -1.149
   60   HG12  ILE   8          HG13      ILE   8  -3.570   6.482  -3.424
   61   HG13  ILE   8          HG12      ILE   8  -3.374   4.741  -3.185
   62   HG21  ILE   8          HG21      ILE   8  -0.131   7.029  -2.576
   63   HG22  ILE   8          HG22      ILE   8  -1.628   7.839  -3.091
   64   HG23  ILE   8          HG23      ILE   8  -1.024   6.429  -3.994
   65   HD11  ILE   8          HD11      ILE   8  -5.467   5.540  -2.176
   66   HD12  ILE   8          HD12      ILE   8  -4.359   4.920  -0.929
   67   HD13  ILE   8          HD13      ILE   8  -4.554   6.675  -1.152
   68    H    ASN   9           H        ASN   9  -0.621   5.781   0.436
   69    HA   ASN   9           HA       ASN   9   2.231   6.109   0.195
   70    HB2  ASN   9           HB2      ASN   9   0.489   7.517   1.445
   71    HB3  ASN   9           HB3      ASN   9   0.669   6.352   2.756
   72   HD21  ASN   9          HD21      ASN   9   1.191   8.687   3.726
   73   HD22  ASN   9          HD22      ASN   9   2.894   9.084   3.761
   74    H    GLY  10           H        GLY  10   0.260   3.826   2.155
   75    HA2  GLY  10           HA2      GLY  10   2.243   2.552   3.663
   76    HA3  GLY  10           HA3      GLY  10   0.776   1.759   3.071
   77    H    HIS  11           H        HIS  11   1.134   1.429   0.410
   78    HA   HIS  11           HA       HIS  11   3.113  -0.650   0.158
   79    HB2  HIS  11           HB2      HIS  11   1.274   0.787  -1.774
   80    HB3  HIS  11           HB3      HIS  11   2.420  -0.436  -2.339
   81    HD1  HIS  11           HD1      HIS  11  -0.785  -0.169  -0.075
   82    HD2  HIS  11           HD2      HIS  11   1.773  -2.941  -2.099
   83    HE1  HIS  11           HE1      HIS  11  -1.870  -2.503  -0.134
   84    H    ASN  12           H        ASN  12   3.116   2.812  -0.920
   85    HA   ASN  12           HA       ASN  12   5.434   2.734  -2.541
   86    HB2  ASN  12           HB3      ASN  12   3.745   4.565  -2.396
   87    HB3  ASN  12           HB2      ASN  12   4.459   5.054  -0.855
   88   HD21  ASN  12          HD21      ASN  12   5.043   4.875  -4.387
   89   HD22  ASN  12          HD22      ASN  12   6.320   6.070  -4.404
   90    H    SER  13           H        SER  13   5.330   2.850   1.036
   91    HA   SER  13           HA       SER  13   8.283   3.068   1.111
   92    HB2  SER  13           HB3      SER  13   6.128   3.882   3.022
   93    HB3  SER  13           HB2      SER  13   7.707   3.404   3.688
   94    HG   SER  13           HG       SER  13   7.603   5.659   3.180
   95    H    SER  14           H        SER  14   5.658   0.882   2.425
   96    HA   SER  14           HA       SER  14   7.609  -0.813   3.675
   97    HB2  SER  14           HB3      SER  14   5.322  -0.675   4.505
   98    HB3  SER  14           HB2      SER  14   4.772  -1.594   3.087
   99    HG   SER  14           HG       SER  14   5.188  -2.947   4.916
  100    H    SER  15           H        SER  15   5.921  -1.255   0.508
  101    HA   SER  15           HA       SER  15   7.409  -3.657  -0.113
  102    HB2  SER  15           HB3      SER  15   6.065  -1.700  -2.017
  103    HB3  SER  15           HB2      SER  15   6.615  -3.340  -2.418
  104    HG   SER  15           HG       SER  15   4.361  -3.256  -1.925
  105    H    SER  16           H        SER  16   8.514  -0.333  -0.068
  106    HA   SER  16           HA       SER  16  10.622  -0.720  -2.095
  107    HB2  SER  16           HB3      SER  16   9.406   1.447  -1.878
  108    HB3  SER  16           HB2      SER  16  10.048   1.623  -0.230
  109    HG   SER  16           HG       SER  16  11.320   2.743  -1.804
  110    H    LEU  17           H        LEU  17  12.477  -1.700  -1.630
  111    HA   LEU  17           HA       LEU  17  13.270  -2.361   1.077
  112    HB2  LEU  17           HB2      LEU  17  14.349  -2.875  -1.671
  113    HB3  LEU  17           HB3      LEU  17  15.326  -3.275  -0.257
  114    HG   LEU  17           HG       LEU  17  14.091  -5.157  -1.249
  115   HD11  LEU  17          HD11      LEU  17  14.867  -5.173   1.100
  116   HD12  LEU  17          HD12      LEU  17  13.496  -6.259   0.769
  117   HD13  LEU  17          HD13      LEU  17  13.225  -4.711   1.606
  118   HD21  LEU  17          HD21      LEU  17  11.951  -4.080  -1.871
  119   HD22  LEU  17          HD22      LEU  17  11.773  -5.613  -0.984
  120   HD23  LEU  17          HD23      LEU  17  11.502  -4.065  -0.149
  Start of MODEL   13
    1    H1   ASN   1           H1       ASN   1 -10.661   6.921  -3.185
    2    H2   ASN   1           H2       ASN   1 -12.204   6.407  -2.911
    3    H3   ASN   1           H3       ASN   1 -10.950   5.735  -2.076
    4    HA   ASN   1           HA       ASN   1 -11.910   8.498  -1.882
    5    HB2  ASN   1           HB3      ASN   1 -13.240   6.519  -0.876
    6    HB3  ASN   1           HB2      ASN   1 -11.914   6.390   0.286
    7   HD21  ASN   1          HD21      ASN   1 -13.324   8.791   2.442
    8   HD22  ASN   1          HD22      ASN   1 -12.295   7.394   2.222
    9    H    VAL   2           H        VAL   2 -10.941   9.792  -0.239
   10    HA   VAL   2           HA       VAL   2  -8.037   9.522  -0.160
   11    HB   VAL   2           HB       VAL   2  -9.765  11.794   0.811
   12   HG11  VAL   2          HG11      VAL   2  -7.528  11.796   1.921
   13   HG12  VAL   2          HG12      VAL   2  -7.806  13.209   0.874
   14   HG13  VAL   2          HG13      VAL   2  -6.768  11.876   0.314
   15   HG21  VAL   2          HG21      VAL   2  -9.884  11.468  -1.663
   16   HG22  VAL   2          HG22      VAL   2  -8.119  11.686  -1.742
   17   HG23  VAL   2          HG23      VAL   2  -9.156  13.020  -1.183
   18    H    HIS   3           H        HIS   3 -10.531   9.831   2.451
   19    HA   HIS   3           HA       HIS   3  -8.686   9.543   4.599
   20    HB2  HIS   3           HB3      HIS   3 -11.116  10.473   4.514
   21    HB3  HIS   3           HB2      HIS   3 -11.581   8.800   4.885
   22    HD1  HIS   3           HD1      HIS   3  -9.299  11.621   6.407
   23    HD2  HIS   3           HD2      HIS   3 -11.434   8.029   7.382
   24    HE1  HIS   3           HE1      HIS   3  -9.236  11.196   8.948
   25    H    THR   4           H        THR   4 -10.806   7.030   3.182
   26    HA   THR   4           HA       THR   4  -9.708   4.920   4.851
   27    HB   THR   4           HB       THR   4 -11.103   3.439   3.320
   28    HG1  THR   4           HG1      THR   4 -11.255   4.955   1.575
   29   HG21  THR   4          HG21      THR   4 -13.270   4.083   4.288
   30   HG22  THR   4          HG22      THR   4 -11.968   4.093   5.501
   31   HG23  THR   4          HG23      THR   4 -12.567   5.627   4.827
   32    H    PHE   5           H        PHE   5  -9.756   5.171   1.261
   33    HA   PHE   5           HA       PHE   5  -8.346   4.595  -0.360
   34    HB2  PHE   5           HB3      PHE   5  -6.187   5.354  -0.403
   35    HB3  PHE   5           HB2      PHE   5  -7.060   6.407   0.699
   36    HD1  PHE   5           HD1      PHE   5  -6.195   6.794   2.925
   37    HD2  PHE   5           HD2      PHE   5  -4.560   3.638   0.498
   38    HE1  PHE   5           HE1      PHE   5  -4.299   6.569   4.490
   39    HE2  PHE   5           HE2      PHE   5  -2.651   3.412   2.085
   40    HZ   PHE   5           HZ       PHE   5  -2.524   4.886   4.075
   41    H    ARG   6           H        ARG   6  -6.868   3.121  -1.382
   42    HA   ARG   6           HA       ARG   6  -7.228   0.395  -0.426
   43    HB2  ARG   6           HB3      ARG   6  -7.025   1.640  -2.870
   44    HB3  ARG   6           HB2      ARG   6  -5.423   0.912  -2.715
   45    HG2  ARG   6           HG2      ARG   6  -6.650  -0.679  -3.905
   46    HG3  ARG   6           HG3      ARG   6  -6.632  -1.308  -2.250
   47    HD2  ARG   6           HD2      ARG   6  -8.946  -0.475  -1.909
   48    HD3  ARG   6           HD3      ARG   6  -8.960   0.170  -3.565
   49    HE   ARG   6           HE       ARG   6  -8.289  -2.600  -3.689
   50   HH11  ARG   6          HH11      ARG   6  -9.770  -4.133  -4.276
   51   HH12  ARG   6          HH12      ARG   6 -11.489  -3.833  -4.150
   52   HH21  ARG   6          HH21      ARG   6 -11.174  -0.604  -2.901
   53   HH22  ARG   6          HH22      ARG   6 -12.270  -1.878  -3.389
   54    H    GLY   7           H        GLY   7  -4.220   1.863  -1.655
   55    HA2  GLY   7           HA3      GLY   7  -2.674   1.696   0.739
   56    HA3  GLY   7           HA2      GLY   7  -2.434   0.205  -0.186
   57    H    ILE   8           H        ILE   8  -2.670   3.687  -1.022
   58    HA   ILE   8           HA       ILE   8  -0.574   3.569  -3.025
   59    HB   ILE   8           HB       ILE   8  -2.002   5.903  -1.720
   60   HG12  ILE   8          HG13      ILE   8  -3.056   5.859  -4.215
   61   HG13  ILE   8          HG12      ILE   8  -2.785   4.129  -3.974
   62   HG21  ILE   8          HG21      ILE   8   0.142   6.582  -2.767
   63   HG22  ILE   8          HG22      ILE   8  -0.441   5.942  -4.323
   64   HG23  ILE   8          HG23      ILE   8  -1.281   7.309  -3.551
   65   HD11  ILE   8          HD11      ILE   8  -5.078   4.759  -3.352
   66   HD12  ILE   8          HD12      ILE   8  -4.175   4.176  -1.933
   67   HD13  ILE   8          HD13      ILE   8  -4.448   5.921  -2.160
   68    H    ASN   9           H        ASN   9  -0.805   5.265   0.120
   69    HA   ASN   9           HA       ASN   9   1.952   5.909   0.413
   70    HB2  ASN   9           HB2      ASN   9  -0.147   6.890   1.502
   71    HB3  ASN   9           HB3      ASN   9   0.010   5.602   2.695
   72   HD21  ASN   9          HD21      ASN   9   0.008   7.828   3.988
   73   HD22  ASN   9          HD22      ASN   9   1.601   8.452   4.350
   74    H    GLY  10           H        GLY  10   0.115   3.153   1.841
   75    HA2  GLY  10           HA2      GLY  10   2.121   2.016   3.454
   76    HA3  GLY  10           HA3      GLY  10   0.833   1.102   2.658
   77    H    HIS  11           H        HIS  11   1.493   1.181  -0.013
   78    HA   HIS  11           HA       HIS  11   3.731  -0.624  -0.256
   79    HB2  HIS  11           HB2      HIS  11   1.886   0.797  -2.184
   80    HB3  HIS  11           HB3      HIS  11   3.281  -0.106  -2.793
   81    HD1  HIS  11           HD1      HIS  11  -0.055  -0.779  -0.795
   82    HD2  HIS  11           HD2      HIS  11   3.072  -2.679  -3.018
   83    HE1  HIS  11           HE1      HIS  11  -0.623  -3.257  -1.206
   84    H    ASN  12           H        ASN  12   3.410   2.930  -0.887
   85    HA   ASN  12           HA       ASN  12   5.831   3.371  -2.255
   86    HB2  ASN  12           HB3      ASN  12   3.927   4.962  -1.951
   87    HB3  ASN  12           HB2      ASN  12   4.501   5.267  -0.306
   88   HD21  ASN  12          HD21      ASN  12   6.418   7.028  -3.518
   89   HD22  ASN  12          HD22      ASN  12   5.278   5.726  -3.774
   90    H    SER  13           H        SER  13   5.489   2.850   1.270
   91    HA   SER  13           HA       SER  13   8.428   3.193   1.533
   92    HB2  SER  13           HB3      SER  13   6.214   4.121   3.248
   93    HB3  SER  13           HB2      SER  13   7.574   3.377   4.120
   94    HG   SER  13           HG       SER  13   7.889   5.639   3.747
   95    H    SER  14           H        SER  14   5.743   0.924   2.459
   96    HA   SER  14           HA       SER  14   7.608  -0.816   3.818
   97    HB2  SER  14           HB3      SER  14   5.291  -0.697   4.526
   98    HB3  SER  14           HB2      SER  14   4.788  -1.470   3.009
   99    HG   SER  14           HG       SER  14   5.038  -2.984   4.738
  100    H    SER  15           H        SER  15   6.085  -1.095   0.554
  101    HA   SER  15           HA       SER  15   7.600  -3.472  -0.104
  102    HB2  SER  15           HB3      SER  15   6.266  -1.461  -1.955
  103    HB3  SER  15           HB2      SER  15   6.835  -3.081  -2.406
  104    HG   SER  15           HG       SER  15   4.572  -3.034  -1.945
  105    H    SER  16           H        SER  16   8.749  -0.189   0.175
  106    HA   SER  16           HA       SER  16  10.714  -0.374  -1.991
  107    HB2  SER  16           HB2      SER  16  11.441   1.832  -1.325
  108    HB3  SER  16           HB3      SER  16   9.671   1.791  -1.412
  109    HG   SER  16           HG       SER  16  10.442   2.870   0.474
  110    H    LEU  17           H        LEU  17  12.669  -1.246  -1.915
  111    HA   LEU  17           HA       LEU  17  13.664  -2.505   0.495
  112    HB2  LEU  17           HB2      LEU  17  14.545  -2.305  -2.361
  113    HB3  LEU  17           HB3      LEU  17  15.646  -2.977  -1.157
  114    HG   LEU  17           HG       LEU  17  14.380  -4.626  -2.486
  115   HD11  LEU  17          HD21      LEU  17  15.369  -5.177  -0.283
  116   HD12  LEU  17          HD22      LEU  17  13.770  -4.921   0.455
  117   HD13  LEU  17          HD23      LEU  17  13.996  -6.210  -0.750
  118   HD21  LEU  17          HD11      LEU  17  12.164  -3.533  -2.640
  119   HD22  LEU  17          HD12      LEU  17  12.108  -5.240  -2.141
  120   HD23  LEU  17          HD13      LEU  17  11.880  -3.952  -0.934
  Start of MODEL   14
    1    H1   ASN   1           H1       ASN   1  -4.360   3.109   5.862
    2    H2   ASN   1           H2       ASN   1  -4.905   4.418   6.706
    3    H3   ASN   1           H3       ASN   1  -5.371   4.194   5.140
    4    HA   ASN   1           HA       ASN   1  -6.069   2.512   7.440
    5    HB2  ASN   1           HB3      ASN   1  -7.104   4.860   7.095
    6    HB3  ASN   1           HB2      ASN   1  -7.934   4.153   5.703
    7   HD21  ASN   1          HD21      ASN   1  -9.229   3.301   9.536
    8   HD22  ASN   1          HD22      ASN   1  -7.680   4.070   9.273
    9    H    VAL   2           H        VAL   2  -7.767   0.894   6.972
   10    HA   VAL   2           HA       VAL   2  -7.232  -0.483   4.407
   11    HB   VAL   2           HB       VAL   2  -8.347  -1.641   6.960
   12   HG11  VAL   2          HG11      VAL   2  -9.161  -2.882   4.953
   13   HG12  VAL   2          HG12      VAL   2  -7.469  -3.183   4.491
   14   HG13  VAL   2          HG13      VAL   2  -8.110  -3.855   6.009
   15   HG21  VAL   2          HG21      VAL   2  -5.925  -1.061   7.124
   16   HG22  VAL   2          HG22      VAL   2  -6.247  -2.806   7.260
   17   HG23  VAL   2          HG23      VAL   2  -5.605  -2.136   5.742
   18    H    HIS   3           H        HIS   3 -10.152   0.206   6.448
   19    HA   HIS   3           HA       HIS   3 -12.032  -0.615   4.478
   20    HB2  HIS   3           HB3      HIS   3 -12.265  -0.249   7.044
   21    HB3  HIS   3           HB2      HIS   3 -12.727   1.405   6.592
   22    HD1  HIS   3           HD1      HIS   3 -13.866  -2.279   5.801
   23    HD2  HIS   3           HD2      HIS   3 -15.198   1.800   5.837
   24    HE1  HIS   3           HE1      HIS   3 -16.383  -2.150   5.272
   25    H    THR   4           H        THR   4 -10.932   2.702   5.223
   26    HA   THR   4           HA       THR   4 -12.457   3.861   3.017
   27    HB   THR   4           HB       THR   4 -11.270   5.985   3.768
   28    HG1  THR   4           HG1      THR   4  -9.552   4.928   4.908
   29   HG21  THR   4          HG21      THR   4 -12.630   6.315   5.789
   30   HG22  THR   4          HG22      THR   4 -13.562   5.562   4.473
   31   HG23  THR   4          HG23      THR   4 -12.982   4.571   5.834
   32    H    PHE   5           H        PHE   5  -8.939   4.061   3.791
   33    HA   PHE   5           HA       PHE   5  -8.212   4.631   1.035
   34    HB2  PHE   5           HB2      PHE   5  -7.156   5.626   3.007
   35    HB3  PHE   5           HB3      PHE   5  -6.579   4.048   3.530
   36    HD1  PHE   5           HD1      PHE   5  -6.130   6.870   1.212
   37    HD2  PHE   5           HD2      PHE   5  -4.529   3.116   2.623
   38    HE1  PHE   5           HE1      PHE   5  -3.868   7.580   0.514
   39    HE2  PHE   5           HE2      PHE   5  -2.239   3.872   1.988
   40    HZ   PHE   5           HZ       PHE   5  -1.925   6.135   0.963
   41    H    ARG   6           H        ARG   6  -6.928   3.456  -0.354
   42    HA   ARG   6           HA       ARG   6  -7.287   0.546  -0.330
   43    HB2  ARG   6           HB2      ARG   6  -7.367   2.474  -2.260
   44    HB3  ARG   6           HB3      ARG   6  -5.740   1.835  -2.511
   45    HG2  ARG   6           HG3      ARG   6  -8.270   0.147  -2.512
   46    HG3  ARG   6           HG2      ARG   6  -7.511   0.821  -3.962
   47    HD2  ARG   6           HD3      ARG   6  -5.457  -0.506  -3.495
   48    HD3  ARG   6           HD2      ARG   6  -6.254  -1.209  -2.074
   49    HE   ARG   6           HE       ARG   6  -6.816  -1.823  -4.916
   50   HH11  ARG   6          HH11      ARG   6  -8.011  -3.628  -5.349
   51   HH12  ARG   6          HH12      ARG   6  -8.853  -4.487  -4.079
   52   HH21  ARG   6          HH21      ARG   6  -7.832  -2.380  -1.511
   53   HH22  ARG   6          HH22      ARG   6  -8.755  -3.798  -1.953
   54    H    GLY   7           H        GLY   7  -4.389   2.461  -1.178
   55    HA2  GLY   7           HA3      GLY   7  -2.628   1.916   0.865
   56    HA3  GLY   7           HA2      GLY   7  -2.566   0.442  -0.113
   57    H    ILE   8           H        ILE   8  -2.625   3.964  -0.795
   58    HA   ILE   8           HA       ILE   8  -0.726   3.762  -2.991
   59    HB   ILE   8           HB       ILE   8  -1.905   6.145  -1.534
   60   HG12  ILE   8          HG13      ILE   8  -3.149   6.189  -3.955
   61   HG13  ILE   8          HG12      ILE   8  -2.981   4.446  -3.716
   62   HG21  ILE   8          HG21      ILE   8   0.181   6.724  -2.739
   63   HG22  ILE   8          HG22      ILE   8  -0.559   6.150  -4.253
   64   HG23  ILE   8          HG23      ILE   8  -1.255   7.546  -3.394
   65   HD11  ILE   8          HD11      ILE   8  -5.167   5.239  -2.920
   66   HD12  ILE   8          HD12      ILE   8  -4.195   4.602  -1.572
   67   HD13  ILE   8          HD13      ILE   8  -4.363   6.361  -1.795
   68    H    ASN   9           H        ASN   9  -0.593   5.414   0.187
   69    HA   ASN   9           HA       ASN   9   2.251   5.773   0.245
   70    HB2  ASN   9           HB2      ASN   9   0.379   7.056   1.433
   71    HB3  ASN   9           HB3      ASN   9   0.458   5.797   2.665
   72   HD21  ASN   9          HD21      ASN   9   0.836   8.058   3.851
   73   HD22  ASN   9          HD22      ASN   9   2.519   8.474   4.078
   74    H    GLY  10           H        GLY  10   0.181   3.318   1.875
   75    HA2  GLY  10           HA2      GLY  10   2.065   1.978   3.451
   76    HA3  GLY  10           HA3      GLY  10   0.676   1.199   2.682
   77    H    HIS  11           H        HIS  11   1.264   1.091   0.046
   78    HA   HIS  11           HA       HIS  11   3.328  -0.916  -0.189
   79    HB2  HIS  11           HB2      HIS  11   1.542   0.558  -2.138
   80    HB3  HIS  11           HB3      HIS  11   2.789  -0.559  -2.714
   81    HD1  HIS  11           HD1      HIS  11  -0.561  -0.625  -0.644
   82    HD2  HIS  11           HD2      HIS  11   2.287  -3.105  -2.664
   83    HE1  HIS  11           HE1      HIS  11  -1.462  -3.026  -0.868
   84    H    ASN  12           H        ASN  12   3.265   2.608  -1.061
   85    HA   ASN  12           HA       ASN  12   5.711   2.671  -2.506
   86    HB2  ASN  12           HB2      ASN  12   3.958   4.448  -2.412
   87    HB3  ASN  12           HB3      ASN  12   4.545   4.899  -0.805
   88   HD21  ASN  12          HD21      ASN  12   6.197   6.415  -0.677
   89   HD22  ASN  12          HD22      ASN  12   7.115   6.986  -2.053
   90    H    SER  13           H        SER  13   5.222   2.720   1.019
   91    HA   SER  13           HA       SER  13   8.054   3.167   1.652
   92    HB2  SER  13           HB2      SER  13   7.182   3.172   3.981
   93    HB3  SER  13           HB3      SER  13   6.246   4.259   2.940
   94    HG   SER  13           HG       SER  13   4.681   3.168   3.948
   95    H    SER  14           H        SER  14   5.664   0.493   2.332
   96    HA   SER  14           HA       SER  14   7.721  -1.172   3.431
   97    HB2  SER  14           HB3      SER  14   5.406  -1.358   4.159
   98    HB3  SER  14           HB2      SER  14   5.001  -2.127   2.610
   99    HG   SER  14           HG       SER  14   5.481  -3.667   4.265
  100    H    SER  15           H        SER  15   6.250  -1.239   0.146
  101    HA   SER  15           HA       SER  15   7.910  -3.427  -0.748
  102    HB2  SER  15           HB3      SER  15   5.764  -2.597  -1.825
  103    HB3  SER  15           HB2      SER  15   6.708  -1.242  -2.484
  104    HG   SER  15           HG       SER  15   6.578  -3.029  -3.950
  105    H    SER  16           H        SER  16   8.787  -0.045  -0.132
  106    HA   SER  16           HA       SER  16  11.112  -0.114  -1.959
  107    HB2  SER  16           HB3      SER  16   9.777   1.971  -1.705
  108    HB3  SER  16           HB2      SER  16  10.210   2.023   0.019
  109    HG   SER  16           HG       SER  16  11.602   3.332  -1.287
  110    H    LEU  17           H        LEU  17  12.940  -1.080  -1.377
  111    HA   LEU  17           HA       LEU  17  13.500  -1.893   1.370
  112    HB2  LEU  17           HB2      LEU  17  14.831  -2.186  -1.319
  113    HB3  LEU  17           HB3      LEU  17  15.692  -2.656   0.148
  114    HG   LEU  17           HG       LEU  17  14.643  -4.507  -1.076
  115   HD11  LEU  17          HD21      LEU  17  15.158  -4.669   1.340
  116   HD12  LEU  17          HD22      LEU  17  13.455  -4.291   1.690
  117   HD13  LEU  17          HD23      LEU  17  13.871  -5.767   0.788
  118   HD21  LEU  17          HD11      LEU  17  12.542  -3.455  -1.855
  119   HD22  LEU  17          HD12      LEU  17  12.328  -5.051  -1.098
  120   HD23  LEU  17          HD13      LEU  17  11.911  -3.575  -0.195
  Start of MODEL   15
    1    H1   ASN   1           H1       ASN   1  -7.805   5.504   5.565
    2    H2   ASN   1           H2       ASN   1  -8.938   6.182   4.577
    3    H3   ASN   1           H3       ASN   1  -8.831   6.653   6.155
    4    HA   ASN   1           HA       ASN   1  -9.520   4.549   6.941
    5    HB2  ASN   1           HB2      ASN   1 -11.107   6.429   6.202
    6    HB3  ASN   1           HB3      ASN   1 -11.446   5.443   4.774
    7   HD21  ASN   1          HD21      ASN   1 -13.254   4.163   4.926
    8   HD22  ASN   1          HD22      ASN   1 -13.953   3.588   6.423
    9    H    VAL   2           H        VAL   2 -10.432   2.460   6.522
   10    HA   VAL   2           HA       VAL   2  -8.941   0.951   4.586
   11    HB   VAL   2           HB       VAL   2 -11.133   0.002   6.424
   12   HG11  VAL   2          HG21      VAL   2 -10.719  -1.613   4.566
   13   HG12  VAL   2          HG22      VAL   2 -10.314  -2.257   6.176
   14   HG13  VAL   2          HG23      VAL   2  -9.018  -1.718   5.080
   15   HG21  VAL   2          HG11      VAL   2  -9.178   0.954   7.653
   16   HG22  VAL   2          HG12      VAL   2  -9.429  -0.783   7.947
   17   HG23  VAL   2          HG13      VAL   2  -8.134  -0.245   6.852
   18    H    HIS   3           H        HIS   3 -12.490   1.605   4.713
   19    HA   HIS   3           HA       HIS   3 -13.164   0.138   2.378
   20    HB2  HIS   3           HB3      HIS   3 -14.603   1.107   4.334
   21    HB3  HIS   3           HB2      HIS   3 -14.773   2.514   3.264
   22    HD1  HIS   3           HD1      HIS   3 -15.424  -1.368   3.127
   23    HD2  HIS   3           HD2      HIS   3 -16.575   2.379   1.375
   24    HE1  HIS   3           HE1      HIS   3 -17.374  -1.703   1.481
   25    H    THR   4           H        THR   4 -12.467   3.631   2.642
   26    HA   THR   4           HA       THR   4 -12.901   4.105  -0.199
   27    HB   THR   4           HB       THR   4 -12.092   6.435   0.413
   28    HG1  THR   4           HG1      THR   4 -10.971   5.815   2.342
   29   HG21  THR   4          HG21      THR   4 -14.133   7.108   1.606
   30   HG22  THR   4          HG22      THR   4 -14.482   5.994   0.263
   31   HG23  THR   4          HG23      THR   4 -14.498   5.398   1.941
   32    H    PHE   5           H        PHE   5  -9.995   4.761   1.832
   33    HA   PHE   5           HA       PHE   5  -8.215   4.690  -0.480
   34    HB2  PHE   5           HB3      PHE   5  -7.625   4.921   2.495
   35    HB3  PHE   5           HB2      PHE   5  -6.406   5.008   1.223
   36    HD1  PHE   5           HD1      PHE   5  -9.431   6.733   2.625
   37    HD2  PHE   5           HD2      PHE   5  -5.919   7.095   0.147
   38    HE1  PHE   5           HE1      PHE   5  -9.756   9.190   2.527
   39    HE2  PHE   5           HE2      PHE   5  -6.230   9.551   0.092
   40    HZ   PHE   5           HZ       PHE   5  -8.141  10.596   1.272
   41    H    ARG   6           H        ARG   6  -6.960   3.098  -1.224
   42    HA   ARG   6           HA       ARG   6  -7.303   0.370  -0.223
   43    HB2  ARG   6           HB3      ARG   6  -6.950   1.577  -2.689
   44    HB3  ARG   6           HB2      ARG   6  -5.360   0.868  -2.384
   45    HG2  ARG   6           HG2      ARG   6  -6.327  -0.868  -3.496
   46    HG3  ARG   6           HG3      ARG   6  -6.768  -1.310  -1.843
   47    HD2  ARG   6           HD3      ARG   6  -8.591   0.123  -3.817
   48    HD3  ARG   6           HD2      ARG   6  -8.602  -1.618  -3.499
   49    HE   ARG   6           HE       ARG   6  -9.747   0.497  -1.811
   50   HH11  ARG   6          HH11      ARG   6  -8.818  -2.975  -1.904
   51   HH12  ARG   6          HH12      ARG   6  -9.867  -3.354  -0.556
   52   HH21  ARG   6          HH21      ARG   6 -11.091  -1.758   0.429
   53   HH22  ARG   6          HH22      ARG   6 -11.029  -0.099  -0.125
   54    H    GLY   7           H        GLY   7  -4.296   1.934  -1.304
   55    HA2  GLY   7           HA3      GLY   7  -2.867   2.033   1.133
   56    HA3  GLY   7           HA2      GLY   7  -2.561   0.434   0.425
   57    H    ILE   8           H        ILE   8  -2.775   3.829  -0.700
   58    HA   ILE   8           HA       ILE   8  -0.777   3.571  -2.771
   59    HB   ILE   8           HB       ILE   8  -2.047   6.003  -1.483
   60   HG12  ILE   8          HG13      ILE   8  -3.261   5.882  -3.910
   61   HG13  ILE   8          HG12      ILE   8  -3.055   4.157  -3.579
   62   HG21  ILE   8          HG21      ILE   8   0.046   6.552  -2.697
   63   HG22  ILE   8          HG22      ILE   8  -1.400   7.302  -3.416
   64   HG23  ILE   8          HG23      ILE   8  -0.665   5.873  -4.182
   65   HD11  ILE   8          HD11      ILE   8  -5.271   4.939  -2.850
   66   HD12  ILE   8          HD12      ILE   8  -4.508   6.137  -1.777
   67   HD13  ILE   8          HD13      ILE   8  -4.302   4.398  -1.459
   68    H    ASN   9           H        ASN   9  -0.772   5.391   0.308
   69    HA   ASN   9           HA       ASN   9   2.012   5.970   0.415
   70    HB2  ASN   9           HB2      ASN   9   0.023   7.044   1.604
   71    HB3  ASN   9           HB3      ASN   9   0.205   5.778   2.818
   72   HD21  ASN   9          HD21      ASN   9   1.987   8.613   4.302
   73   HD22  ASN   9          HD22      ASN   9   0.355   8.039   4.051
   74    H    GLY  10           H        GLY  10   0.205   3.306   2.037
   75    HA2  GLY  10           HA2      GLY  10   2.289   2.150   3.538
   76    HA3  GLY  10           HA3      GLY  10   0.919   1.257   2.862
   77    H    HIS  11           H        HIS  11   1.374   1.261   0.151
   78    HA   HIS  11           HA       HIS  11   3.506  -0.631  -0.240
   79    HB2  HIS  11           HB3      HIS  11   1.542   0.834  -1.994
   80    HB3  HIS  11           HB2      HIS  11   2.908  -0.001  -2.755
   81    HD1  HIS  11           HD1      HIS  11   2.607  -2.695  -3.067
   82    HD2  HIS  11           HD2      HIS  11  -0.078  -0.665  -0.430
   83    HE1  HIS  11           HE1      HIS  11   0.743  -4.297  -2.282
   84    H    ASN  12           H        ASN  12   3.322   2.924  -0.897
   85    HA   ASN  12           HA       ASN  12   5.682   3.211  -2.417
   86    HB2  ASN  12           HB3      ASN  12   3.854   4.887  -2.066
   87    HB3  ASN  12           HB2      ASN  12   4.527   5.223  -0.467
   88   HD21  ASN  12          HD21      ASN  12   6.326   6.802  -3.838
   89   HD22  ASN  12          HD22      ASN  12   5.124   5.539  -3.984
   90    H    SER  13           H        SER  13   5.494   2.828   1.139
   91    HA   SER  13           HA       SER  13   8.442   3.141   1.277
   92    HB2  SER  13           HB3      SER  13   6.288   3.993   3.102
   93    HB3  SER  13           HB2      SER  13   7.692   3.247   3.901
   94    HG   SER  13           HG       SER  13   7.961   5.524   3.572
   95    H    SER  14           H        SER  14   5.842   0.787   2.244
   96    HA   SER  14           HA       SER  14   7.799  -0.924   3.505
   97    HB2  SER  14           HB3      SER  14   5.484  -0.905   4.257
   98    HB3  SER  14           HB2      SER  14   5.000  -1.705   2.746
   99    HG   SER  14           HG       SER  14   5.367  -3.206   4.466
  100    H    SER  15           H        SER  15   6.248  -1.139   0.258
  101    HA   SER  15           HA       SER  15   7.778  -3.471  -0.507
  102    HB2  SER  15           HB3      SER  15   6.453  -1.376  -2.273
  103    HB3  SER  15           HB2      SER  15   7.016  -2.978  -2.790
  104    HG   SER  15           HG       SER  15   4.751  -2.938  -2.340
  105    H    SER  16           H        SER  16   8.894  -0.178  -0.119
  106    HA   SER  16           HA       SER  16  10.886  -0.292  -2.266
  107    HB2  SER  16           HB2      SER  16  11.561   1.918  -1.555
  108    HB3  SER  16           HB3      SER  16   9.792   1.844  -1.665
  109    HG   SER  16           HG       SER  16  10.518   2.908   0.247
  110    H    LEU  17           H        LEU  17  12.847  -1.145  -2.174
  111    HA   LEU  17           HA       LEU  17  13.827  -2.417   0.235
  112    HB2  LEU  17           HB2      LEU  17  14.740  -2.181  -2.608
  113    HB3  LEU  17           HB3      LEU  17  15.834  -2.853  -1.397
  114    HG   LEU  17           HG       LEU  17  14.602  -4.505  -2.756
  115   HD11  LEU  17          HD21      LEU  17  15.566  -5.064  -0.544
  116   HD12  LEU  17          HD22      LEU  17  13.955  -4.830   0.175
  117   HD13  LEU  17          HD23      LEU  17  14.211  -6.106  -1.040
  118   HD21  LEU  17          HD11      LEU  17  12.379  -3.431  -2.932
  119   HD22  LEU  17          HD12      LEU  17  12.331  -5.142  -2.447
  120   HD23  LEU  17          HD13      LEU  17  12.075  -3.867  -1.232
  Start of MODEL   16
    1    H1   ASN   1           H1       ASN   1  -8.713   2.157   5.406
    2    H2   ASN   1           H2       ASN   1  -8.231   2.040   6.979
    3    H3   ASN   1           H3       ASN   1  -7.125   1.895   5.764
    4    HA   ASN   1           HA       ASN   1  -7.931  -0.090   5.029
    5    HB2  ASN   1           HB3      ASN   1  -6.305   0.043   6.751
    6    HB3  ASN   1           HB2      ASN   1  -7.552   0.023   7.993
    7   HD21  ASN   1          HD21      ASN   1  -6.012  -2.023   5.469
    8   HD22  ASN   1          HD22      ASN   1  -6.311  -3.534   6.297
    9    H    VAL   2           H        VAL   2 -10.488   1.412   5.635
   10    HA   VAL   2           HA       VAL   2 -12.240  -0.944   5.505
   11    HB   VAL   2           HB       VAL   2 -12.808   1.324   7.418
   12   HG11  VAL   2          HG21      VAL   2 -14.878   0.619   6.220
   13   HG12  VAL   2          HG22      VAL   2 -14.631  -1.034   6.831
   14   HG13  VAL   2          HG23      VAL   2 -14.927   0.301   7.970
   15   HG21  VAL   2          HG11      VAL   2 -11.302  -0.421   8.366
   16   HG22  VAL   2          HG12      VAL   2 -12.569  -1.634   8.068
   17   HG23  VAL   2          HG13      VAL   2 -12.865  -0.298   9.207
   18    H    HIS   3           H        HIS   3 -12.825   2.627   5.569
   19    HA   HIS   3           HA       HIS   3 -14.392   2.596   3.170
   20    HB2  HIS   3           HB3      HIS   3 -14.326   4.274   5.169
   21    HB3  HIS   3           HB2      HIS   3 -13.072   5.093   4.214
   22    HD1  HIS   3           HD1      HIS   3 -16.793   3.898   3.732
   23    HD2  HIS   3           HD2      HIS   3 -13.875   6.719   2.336
   24    HE1  HIS   3           HE1      HIS   3 -17.857   5.540   2.057
   25    H    THR   4           H        THR   4 -10.998   3.545   3.694
   26    HA   THR   4           HA       THR   4 -10.477   4.152   0.901
   27    HB   THR   4           HB       THR   4  -8.077   4.308   1.776
   28    HG1  THR   4           HG1      THR   4  -8.432   3.043   3.685
   29   HG21  THR   4          HG21      THR   4  -8.395   6.455   2.933
   30   HG22  THR   4          HG22      THR   4 -10.138   6.122   3.069
   31   HG23  THR   4          HG23      THR   4  -9.395   6.335   1.465
   32    H    PHE   5           H        PHE   5  -8.732   1.793   3.002
   33    HA   PHE   5           HA       PHE   5  -7.860  -0.265   2.640
   34    HB2  PHE   5           HB2      PHE   5 -10.342  -0.542   2.697
   35    HB3  PHE   5           HB3      PHE   5 -10.288  -0.804   0.958
   36    HD1  PHE   5           HD1      PHE   5 -10.285  -3.030   0.224
   37    HD2  PHE   5           HD2      PHE   5  -8.649  -2.145   4.118
   38    HE1  PHE   5           HE1      PHE   5  -9.984  -5.448   0.663
   39    HE2  PHE   5           HE2      PHE   5  -8.355  -4.555   4.544
   40    HZ   PHE   5           HZ       PHE   5  -9.015  -6.212   2.822
   41    H    ARG   6           H        ARG   6  -7.102   1.667   0.519
   42    HA   ARG   6           HA       ARG   6  -6.369  -0.060  -1.768
   43    HB2  ARG   6           HB2      ARG   6  -7.397   2.348  -1.837
   44    HB3  ARG   6           HB3      ARG   6  -5.741   2.880  -1.541
   45    HG2  ARG   6           HG3      ARG   6  -6.614   1.177  -3.907
   46    HG3  ARG   6           HG2      ARG   6  -6.442   2.940  -3.938
   47    HD2  ARG   6           HD3      ARG   6  -3.999   2.596  -3.264
   48    HD3  ARG   6           HD2      ARG   6  -4.248   0.868  -3.586
   49    HE   ARG   6           HE       ARG   6  -5.121   2.121  -5.908
   50   HH11  ARG   6          HH11      ARG   6  -2.127   2.632  -7.569
   51   HH12  ARG   6          HH12      ARG   6  -3.867   2.491  -7.694
   52   HH21  ARG   6          HH21      ARG   6  -1.089   2.445  -5.596
   53   HH22  ARG   6          HH22      ARG   6  -1.994   2.153  -4.129
   54    H    GLY   7           H        GLY   7  -4.637   2.486  -0.010
   55    HA2  GLY   7           HA3      GLY   7  -2.651   2.252   1.307
   56    HA3  GLY   7           HA2      GLY   7  -2.328   0.691   0.527
   57    H    ILE   8           H        ILE   8  -2.716   4.153  -0.401
   58    HA   ILE   8           HA       ILE   8  -0.936   3.993  -2.677
   59    HB   ILE   8           HB       ILE   8  -2.019   6.379  -1.154
   60   HG12  ILE   8          HG13      ILE   8  -3.451   6.424  -3.451
   61   HG13  ILE   8          HG12      ILE   8  -3.240   4.678  -3.265
   62   HG21  ILE   8          HG21      ILE   8  -0.033   6.952  -2.527
   63   HG22  ILE   8          HG22      ILE   8  -0.888   6.362  -3.971
   64   HG23  ILE   8          HG23      ILE   8  -1.520   7.764  -3.074
   65   HD11  ILE   8          HD11      ILE   8  -5.373   5.419  -2.289
   66   HD12  ILE   8          HD12      ILE   8  -4.503   6.529  -1.202
   67   HD13  ILE   8          HD13      ILE   8  -4.293   4.770  -1.032
   68    H    ASN   9           H        ASN   9  -0.596   5.678   0.457
   69    HA   ASN   9           HA       ASN   9   2.259   6.025   0.279
   70    HB2  ASN   9           HB2      ASN   9   0.491   7.421   1.498
   71    HB3  ASN   9           HB3      ASN   9   0.635   6.245   2.804
   72   HD21  ASN   9          HD21      ASN   9   2.833   8.969   3.888
   73   HD22  ASN   9          HD22      ASN   9   1.131   8.572   3.807
   74    H    GLY  10           H        GLY  10   0.258   3.729   2.185
   75    HA2  GLY  10           HA2      GLY  10   2.194   2.442   3.733
   76    HA3  GLY  10           HA3      GLY  10   0.750   1.651   3.085
   77    H    HIS  11           H        HIS  11   1.189   1.340   0.443
   78    HA   HIS  11           HA       HIS  11   3.202  -0.717   0.237
   79    HB2  HIS  11           HB2      HIS  11   1.383   0.680  -1.744
   80    HB3  HIS  11           HB3      HIS  11   2.552  -0.540  -2.268
   81    HD1  HIS  11           HD1      HIS  11  -0.723  -0.268  -0.107
   82    HD2  HIS  11           HD2      HIS  11   1.927  -3.048  -1.993
   83    HE1  HIS  11           HE1      HIS  11  -1.784  -2.612  -0.164
   84    H    ASN  12           H        ASN  12   3.157   2.742  -0.887
   85    HA   ASN  12           HA       ASN  12   5.532   2.661  -2.432
   86    HB2  ASN  12           HB2      ASN  12   3.794   4.453  -2.375
   87    HB3  ASN  12           HB3      ASN  12   4.474   5.020  -0.844
   88   HD21  ASN  12          HD21      ASN  12   7.012   6.958  -2.394
   89   HD22  ASN  12          HD22      ASN  12   6.204   6.485  -0.916
   90    H    SER  13           H        SER  13   5.277   2.718   1.088
   91    HA   SER  13           HA       SER  13   8.173   3.220   1.484
   92    HB2  SER  13           HB2      SER  13   7.455   3.545   3.842
   93    HB3  SER  13           HB3      SER  13   6.495   4.550   2.742
   94    HG   SER  13           HG       SER  13   4.970   3.656   3.991
   95    H    SER  14           H        SER  14   5.675   0.760   2.499
   96    HA   SER  14           HA       SER  14   7.687  -0.889   3.721
   97    HB2  SER  14           HB3      SER  14   5.397  -0.883   4.542
   98    HB3  SER  14           HB2      SER  14   4.892  -1.767   3.085
   99    HG   SER  14           HG       SER  14   5.354  -3.173   4.861
  100    H    SER  15           H        SER  15   6.092  -1.202   0.508
  101    HA   SER  15           HA       SER  15   7.647  -3.539  -0.201
  102    HB2  SER  15           HB3      SER  15   6.317  -1.525  -2.053
  103    HB3  SER  15           HB2      SER  15   6.899  -3.141  -2.498
  104    HG   SER  15           HG       SER  15   4.630  -3.103  -2.073
  105    H    SER  16           H        SER  16   8.705  -0.197   0.075
  106    HA   SER  16           HA       SER  16  10.712  -0.364  -2.051
  107    HB2  SER  16           HB2      SER  16  11.357   1.870  -1.440
  108    HB3  SER  16           HB3      SER  16   9.587   1.779  -1.497
  109    HG   SER  16           HG       SER  16  11.010   2.709   0.460
  110    H    LEU  17           H        LEU  17  12.698  -1.162  -1.931
  111    HA   LEU  17           HA       LEU  17  13.683  -2.374   0.508
  112    HB2  LEU  17           HB2      LEU  17  14.614  -2.166  -2.334
  113    HB3  LEU  17           HB3      LEU  17  15.712  -2.795  -1.104
  114    HG   LEU  17           HG       LEU  17  14.523  -4.493  -2.444
  115   HD11  LEU  17          HD21      LEU  17  15.488  -4.997  -0.221
  116   HD12  LEU  17          HD22      LEU  17  13.870  -4.784   0.489
  117   HD13  LEU  17          HD23      LEU  17  14.157  -6.075  -0.702
  118   HD21  LEU  17          HD11      LEU  17  12.278  -3.470  -2.648
  119   HD22  LEU  17          HD12      LEU  17  11.976  -3.882  -0.944
  120   HD23  LEU  17          HD13      LEU  17  12.262  -5.173  -2.135
  Start of MODEL   17
    1    H1   ASN   1           H1       ASN   1  -8.798   2.872   6.693
    2    H2   ASN   1           H2       ASN   1  -9.869   3.850   5.909
    3    H3   ASN   1           H3       ASN   1  -9.967   3.664   7.545
    4    HA   ASN   1           HA       ASN   1 -10.567   1.398   7.360
    5    HB2  ASN   1           HB2      ASN   1 -12.214   3.367   7.209
    6    HB3  ASN   1           HB3      ASN   1 -12.321   3.011   5.480
    7   HD21  ASN   1          HD21      ASN   1 -14.027   1.714   4.898
    8   HD22  ASN   1          HD22      ASN   1 -14.827   0.572   5.955
    9    H    VAL   2           H        VAL   2 -11.251  -0.388   6.058
   10    HA   VAL   2           HA       VAL   2  -9.452  -0.964   3.894
   11    HB   VAL   2           HB       VAL   2 -11.749  -2.625   4.926
   12   HG11  VAL   2          HG21      VAL   2 -11.015  -3.369   2.659
   13   HG12  VAL   2          HG22      VAL   2  -9.375  -3.615   3.306
   14   HG13  VAL   2          HG23      VAL   2 -10.733  -4.581   3.932
   15   HG21  VAL   2          HG11      VAL   2 -10.016  -2.174   6.667
   16   HG22  VAL   2          HG12      VAL   2 -10.160  -3.894   6.233
   17   HG23  VAL   2          HG13      VAL   2  -8.802  -2.929   5.607
   18    H    HIS   3           H        HIS   3 -13.034  -0.510   3.813
   19    HA   HIS   3           HA       HIS   3 -13.352  -0.971   1.031
   20    HB2  HIS   3           HB3      HIS   3 -15.053  -0.864   3.021
   21    HB3  HIS   3           HB2      HIS   3 -15.212   0.839   2.542
   22    HD1  HIS   3           HD1      HIS   3 -17.751   0.469   1.550
   23    HD2  HIS   3           HD2      HIS   3 -14.566  -1.870  -0.126
   24    HE1  HIS   3           HE1      HIS   3 -18.528  -0.691  -0.614
   25    H    THR   4           H        THR   4 -12.941   2.162   2.696
   26    HA   THR   4           HA       THR   4 -13.092   3.692   0.225
   27    HB   THR   4           HB       THR   4 -12.518   5.618   1.776
   28    HG1  THR   4           HG1      THR   4 -11.571   4.322   3.447
   29   HG21  THR   4          HG21      THR   4 -14.716   5.729   2.870
   30   HG22  THR   4          HG22      THR   4 -14.842   5.216   1.171
   31   HG23  THR   4          HG23      THR   4 -14.996   4.015   2.476
   32    H    PHE   5           H        PHE   5 -10.475   3.564   2.702
   33    HA   PHE   5           HA       PHE   5  -8.453   4.419   0.770
   34    HB2  PHE   5           HB3      PHE   5  -8.195   3.533   3.669
   35    HB3  PHE   5           HB2      PHE   5  -6.870   4.146   2.680
   36    HD1  PHE   5           HD1      PHE   5  -6.456   6.506   2.532
   37    HD2  PHE   5           HD2      PHE   5 -10.144   5.081   4.249
   38    HE1  PHE   5           HE1      PHE   5  -6.974   8.786   3.350
   39    HE2  PHE   5           HE2      PHE   5 -10.678   7.379   5.022
   40    HZ   PHE   5           HZ       PHE   5  -9.078   9.225   4.582
   41    H    ARG   6           H        ARG   6  -7.170   3.209  -0.449
   42    HA   ARG   6           HA       ARG   6  -7.308   0.272  -0.328
   43    HB2  ARG   6           HB3      ARG   6  -7.235   2.144  -2.356
   44    HB3  ARG   6           HB2      ARG   6  -5.564   1.571  -2.329
   45    HG2  ARG   6           HG2      ARG   6  -6.601   0.232  -3.943
   46    HG3  ARG   6           HG3      ARG   6  -6.521  -0.806  -2.511
   47    HD2  ARG   6           HD2      ARG   6  -8.916  -0.343  -2.042
   48    HD3  ARG   6           HD3      ARG   6  -8.994   0.710  -3.472
   49    HE   ARG   6           HE       ARG   6  -8.018  -1.836  -4.298
   50   HH11  ARG   6          HH11      ARG   6 -11.058  -3.254  -5.150
   51   HH12  ARG   6          HH12      ARG   6  -9.317  -3.317  -5.306
   52   HH21  ARG   6          HH21      ARG   6 -12.054  -1.669  -3.922
   53   HH22  ARG   6          HH22      ARG   6 -11.110  -0.455  -3.088
   54    H    GLY   7           H        GLY   7  -4.495   2.329  -1.047
   55    HA2  GLY   7           HA3      GLY   7  -2.896   2.131   1.187
   56    HA3  GLY   7           HA2      GLY   7  -2.648   0.568   0.385
   57    H    ILE   8           H        ILE   8  -2.837   4.029  -0.531
   58    HA   ILE   8           HA       ILE   8  -0.944   3.827  -2.710
   59    HB   ILE   8           HB       ILE   8  -2.084   6.224  -1.246
   60   HG12  ILE   8          HG13      ILE   8  -3.401   6.264  -3.619
   61   HG13  ILE   8          HG12      ILE   8  -3.227   4.520  -3.392
   62   HG21  ILE   8          HG21      ILE   8  -0.029   6.778  -2.523
   63   HG22  ILE   8          HG22      ILE   8  -1.481   7.602  -3.141
   64   HG23  ILE   8          HG23      ILE   8  -0.821   6.194  -4.007
   65   HD11  ILE   8          HD11      ILE   8  -5.390   5.309  -2.530
   66   HD12  ILE   8          HD12      ILE   8  -4.556   6.426  -1.424
   67   HD13  ILE   8          HD13      ILE   8  -4.381   4.667  -1.212
   68    H    ASN   9           H        ASN   9  -0.750   5.492   0.453
   69    HA   ASN   9           HA       ASN   9   2.063   5.954   0.455
   70    HB2  ASN   9           HB2      ASN   9   0.167   7.082   1.748
   71    HB3  ASN   9           HB3      ASN   9   0.347   5.781   2.924
   72   HD21  ASN   9          HD21      ASN   9   0.644   8.003   4.199
   73   HD22  ASN   9          HD22      ASN   9   2.310   8.503   4.394
   74    H    GLY  10           H        GLY  10   0.200   3.327   2.074
   75    HA2  GLY  10           HA2      GLY  10   2.256   2.050   3.495
   76    HA3  GLY  10           HA3      GLY  10   0.853   1.222   2.804
   77    H    HIS  11           H        HIS  11   1.278   1.248   0.109
   78    HA   HIS  11           HA       HIS  11   3.387  -0.673  -0.333
   79    HB2  HIS  11           HB2      HIS  11   1.454   0.847  -2.099
   80    HB3  HIS  11           HB3      HIS  11   2.716  -0.167  -2.814
   81    HD1  HIS  11           HD1      HIS  11  -0.490  -0.541  -0.555
   82    HD2  HIS  11           HD2      HIS  11   2.317  -2.729  -2.936
   83    HE1  HIS  11           HE1      HIS  11  -1.300  -2.961  -0.900
   84    H    ASN  12           H        ASN  12   3.176   2.891  -1.003
   85    HA   ASN  12           HA       ASN  12   5.507   3.163  -2.567
   86    HB2  ASN  12           HB3      ASN  12   3.707   4.853  -2.198
   87    HB3  ASN  12           HB2      ASN  12   4.398   5.185  -0.604
   88   HD21  ASN  12          HD21      ASN  12   6.182   6.750  -3.988
   89   HD22  ASN  12          HD22      ASN  12   4.975   5.492  -4.127
   90    H    SER  13           H        SER  13   5.395   2.829   1.004
   91    HA   SER  13           HA       SER  13   8.353   3.079   1.050
   92    HB2  SER  13           HB3      SER  13   6.290   4.098   2.868
   93    HB3  SER  13           HB2      SER  13   7.628   3.273   3.699
   94    HG   SER  13           HG       SER  13   8.067   5.512   3.314
   95    H    SER  14           H        SER  14   5.734   0.775   2.060
   96    HA   SER  14           HA       SER  14   7.649  -0.892   3.430
   97    HB2  SER  14           HB3      SER  14   5.276  -0.884   4.049
   98    HB3  SER  14           HB2      SER  14   4.928  -1.808   2.571
   99    HG   SER  14           HG       SER  14   5.264  -3.168   4.411
  100    H    SER  15           H        SER  15   6.302  -1.159   0.088
  101    HA   SER  15           HA       SER  15   7.770  -3.526  -0.580
  102    HB2  SER  15           HB2      SER  15   7.282  -3.024  -2.851
  103    HB3  SER  15           HB3      SER  15   5.893  -2.479  -1.896
  104    HG   SER  15           HG       SER  15   7.725  -1.008  -3.390
  105    H    SER  16           H        SER  16   8.910  -0.215  -0.269
  106    HA   SER  16           HA       SER  16  11.318  -0.540  -1.876
  107    HB2  SER  16           HB2      SER  16  11.822   1.734  -1.303
  108    HB3  SER  16           HB3      SER  16  10.091   1.628  -1.673
  109    HG   SER  16           HG       SER  16  11.051   2.746   0.400
  110    H    LEU  17           H        LEU  17  13.236  -1.301  -1.301
  111    HA   LEU  17           HA       LEU  17  13.678  -2.386   1.348
  112    HB2  LEU  17           HB2      LEU  17  15.190  -2.313  -1.237
  113    HB3  LEU  17           HB3      LEU  17  15.999  -2.872   0.227
  114    HG   LEU  17           HG       LEU  17  15.112  -4.645  -1.249
  115   HD11  LEU  17          HD21      LEU  17  15.586  -5.029   1.151
  116   HD12  LEU  17          HD22      LEU  17  14.382  -6.139   0.455
  117   HD13  LEU  17          HD23      LEU  17  13.856  -4.793   1.493
  118   HD21  LEU  17          HD11      LEU  17  12.964  -3.646  -1.969
  119   HD22  LEU  17          HD12      LEU  17  12.835  -5.324  -1.386
  120   HD23  LEU  17          HD13      LEU  17  12.309  -3.977  -0.347
  Start of MODEL   18
    1    H1   ASN   1           H1       ASN   1  -7.115  -2.781   4.442
    2    H2   ASN   1           H2       ASN   1  -8.733  -2.461   4.458
    3    H3   ASN   1           H3       ASN   1  -8.075  -3.443   5.608
    4    HA   ASN   1           HA       ASN   1  -7.542  -5.109   4.031
    5    HB2  ASN   1           HB3      ASN   1  -9.834  -4.829   5.186
    6    HB3  ASN   1           HB2      ASN   1 -10.423  -4.252   3.622
    7   HD21  ASN   1          HD21      ASN   1 -11.421  -5.776   2.374
    8   HD22  ASN   1          HD22      ASN   1 -11.117  -7.497   2.455
    9    H    VAL   2           H        VAL   2  -7.885  -5.990   1.849
   10    HA   VAL   2           HA       VAL   2  -6.955  -4.194  -0.179
   11    HB   VAL   2           HB       VAL   2  -7.859  -7.054  -0.487
   12   HG11  VAL   2          HG21      VAL   2  -7.769  -5.871  -2.684
   13   HG12  VAL   2          HG22      VAL   2  -6.053  -5.504  -2.379
   14   HG13  VAL   2          HG23      VAL   2  -6.587  -7.194  -2.539
   15   HG21  VAL   2          HG11      VAL   2  -5.944  -6.804   1.098
   16   HG22  VAL   2          HG12      VAL   2  -5.006  -6.040  -0.207
   17   HG23  VAL   2          HG13      VAL   2  -5.539  -7.730  -0.366
   18    H    HIS   3           H        HIS   3 -10.196  -5.743   0.144
   19    HA   HIS   3           HA       HIS   3 -11.294  -4.658  -2.251
   20    HB2  HIS   3           HB3      HIS   3 -12.055  -6.616  -0.690
   21    HB3  HIS   3           HB2      HIS   3 -13.018  -5.356   0.107
   22    HD1  HIS   3           HD1      HIS   3 -15.392  -6.374  -0.850
   23    HD2  HIS   3           HD2      HIS   3 -12.400  -5.203  -3.697
   24    HE1  HIS   3           HE1      HIS   3 -16.392  -6.287  -3.222
   25    H    THR   4           H        THR   4 -11.541  -3.395   1.082
   26    HA   THR   4           HA       THR   4 -13.142  -1.096   0.267
   27    HB   THR   4           HB       THR   4 -12.890  -0.488   2.723
   28    HG1  THR   4           HG1      THR   4 -11.820  -3.106   2.946
   29   HG21  THR   4          HG21      THR   4 -14.442  -2.198   3.567
   30   HG22  THR   4          HG22      THR   4 -14.920  -1.599   1.961
   31   HG23  THR   4          HG23      THR   4 -14.136  -3.188   2.120
   32    H    PHE   5           H        PHE   5 -10.053  -1.197   2.115
   33    HA   PHE   5           HA       PHE   5  -9.304   1.484   1.267
   34    HB2  PHE   5           HB2      PHE   5  -8.903   0.662   3.510
   35    HB3  PHE   5           HB3      PHE   5  -7.906  -0.658   2.905
   36    HD1  PHE   5           HD1      PHE   5  -8.053   3.038   3.402
   37    HD2  PHE   5           HD2      PHE   5  -5.571  -0.390   2.552
   38    HE1  PHE   5           HE1      PHE   5  -6.030   4.366   3.940
   39    HE2  PHE   5           HE2      PHE   5  -3.557   0.919   3.182
   40    HZ   PHE   5           HZ       PHE   5  -3.786   3.307   3.862
   41    H    ARG   6           H        ARG   6  -7.599   2.162   0.085
   42    HA   ARG   6           HA       ARG   6  -6.710   0.450  -2.129
   43    HB2  ARG   6           HB2      ARG   6  -7.528   3.010  -2.024
   44    HB3  ARG   6           HB3      ARG   6  -5.790   3.279  -1.862
   45    HG2  ARG   6           HG3      ARG   6  -7.092   1.754  -4.150
   46    HG3  ARG   6           HG2      ARG   6  -6.672   3.473  -4.197
   47    HD2  ARG   6           HD3      ARG   6  -4.266   2.862  -3.839
   48    HD3  ARG   6           HD2      ARG   6  -4.724   1.150  -3.919
   49    HE   ARG   6           HE       ARG   6  -4.612   3.069  -6.170
   50   HH11  ARG   6          HH11      ARG   6  -4.662   2.240  -8.215
   51   HH12  ARG   6          HH12      ARG   6  -5.065   0.563  -8.507
   52   HH21  ARG   6          HH21      ARG   6  -5.545  -0.824  -6.818
   53   HH22  ARG   6          HH22      ARG   6  -5.526  -0.261  -5.162
   54    H    GLY   7           H        GLY   7  -4.887   2.812  -0.160
   55    HA2  GLY   7           HA3      GLY   7  -3.010   2.362   1.257
   56    HA3  GLY   7           HA2      GLY   7  -2.798   0.792   0.465
   57    H    ILE   8           H        ILE   8  -2.786   4.264  -0.434
   58    HA   ILE   8           HA       ILE   8  -0.820   3.979  -2.542
   59    HB   ILE   8           HB       ILE   8  -1.895   6.425  -1.110
   60   HG12  ILE   8          HG13      ILE   8  -3.099   6.536  -3.548
   61   HG13  ILE   8          HG12      ILE   8  -3.045   4.786  -3.297
   62   HG21  ILE   8          HG21      ILE   8   0.237   6.880  -2.293
   63   HG22  ILE   8          HG22      ILE   8  -1.143   7.783  -2.962
   64   HG23  ILE   8          HG23      ILE   8  -0.521   6.350  -3.814
   65   HD11  ILE   8          HD11      ILE   8  -5.186   5.722  -2.530
   66   HD12  ILE   8          HD12      ILE   8  -4.271   5.035  -1.167
   67   HD13  ILE   8          HD13      ILE   8  -4.325   6.798  -1.403
   68    H    ASN   9           H        ASN   9  -0.678   5.630   0.633
   69    HA   ASN   9           HA       ASN   9   2.144   5.973   0.755
   70    HB2  ASN   9           HB3      ASN   9   0.292   7.200   1.986
   71    HB3  ASN   9           HB2      ASN   9   0.283   5.846   3.121
   72   HD21  ASN   9          HD21      ASN   9   2.959   8.799   3.743
   73   HD22  ASN   9          HD22      ASN   9   1.704   8.945   2.533
   74    H    GLY  10           H        GLY  10   0.129   3.388   2.260
   75    HA2  GLY  10           HA2      GLY  10   2.103   1.997   3.701
   76    HA3  GLY  10           HA3      GLY  10   0.678   1.246   2.966
   77    H    HIS  11           H        HIS  11   1.153   1.340   0.275
   78    HA   HIS  11           HA       HIS  11   3.147  -0.678  -0.208
   79    HB2  HIS  11           HB3      HIS  11   1.311   1.020  -1.900
   80    HB3  HIS  11           HB2      HIS  11   2.581   0.064  -2.681
   81    HD1  HIS  11           HD1      HIS  11   1.910  -2.522  -3.180
   82    HD2  HIS  11           HD2      HIS  11  -0.403  -0.373  -0.298
   83    HE1  HIS  11           HE1      HIS  11  -0.132  -3.921  -2.448
   84    H    ASN  12           H        ASN  12   3.210   2.905  -0.707
   85    HA   ASN  12           HA       ASN  12   5.603   3.069  -2.217
   86    HB2  ASN  12           HB3      ASN  12   3.887   4.856  -1.868
   87    HB3  ASN  12           HB2      ASN  12   4.535   5.107  -0.242
   88   HD21  ASN  12          HD21      ASN  12   5.247   5.478  -3.732
   89   HD22  ASN  12          HD22      ASN  12   6.526   6.652  -3.518
   90    H    SER  13           H        SER  13   5.300   2.672   1.331
   91    HA   SER  13           HA       SER  13   8.241   2.868   1.614
   92    HB2  SER  13           HB3      SER  13   5.961   3.297   3.515
   93    HB3  SER  13           HB2      SER  13   7.527   2.763   4.167
   94    HG   SER  13           HG       SER  13   7.358   5.068   4.041
   95    H    SER  14           H        SER  14   5.579   0.480   2.415
   96    HA   SER  14           HA       SER  14   7.498  -1.401   3.434
   97    HB2  SER  14           HB3      SER  14   5.178  -1.412   4.185
   98    HB3  SER  14           HB2      SER  14   4.692  -2.072   2.609
   99    HG   SER  14           HG       SER  14   5.044  -3.720   4.192
  100    H    SER  15           H        SER  15   5.943  -1.273   0.179
  101    HA   SER  15           HA       SER  15   7.440  -3.534  -0.816
  102    HB2  SER  15           HB3      SER  15   5.300  -2.567  -1.771
  103    HB3  SER  15           HB2      SER  15   6.274  -1.234  -2.429
  104    HG   SER  15           HG       SER  15   5.984  -2.956  -3.948
  105    H    SER  16           H        SER  16   8.553  -0.274  -0.124
  106    HA   SER  16           HA       SER  16  10.762  -0.340  -2.083
  107    HB2  SER  16           HB3      SER  16   9.536   1.776  -1.599
  108    HB3  SER  16           HB2      SER  16  10.082   1.689   0.091
  109    HG   SER  16           HG       SER  16  11.442   3.030  -1.215
  110    H    LEU  17           H        LEU  17  12.575  -1.423  -1.675
  111    HA   LEU  17           HA       LEU  17  13.247  -2.453   0.973
  112    HB2  LEU  17           HB2      LEU  17  14.411  -2.613  -1.802
  113    HB3  LEU  17           HB3      LEU  17  15.327  -3.226  -0.423
  114    HG   LEU  17           HG       LEU  17  14.119  -4.934  -1.709
  115   HD11  LEU  17          HD11      LEU  17  14.770  -5.284   0.653
  116   HD12  LEU  17          HD12      LEU  17  13.405  -6.288   0.108
  117   HD13  LEU  17          HD13      LEU  17  13.108  -4.863   1.133
  118   HD21  LEU  17          HD21      LEU  17  12.030  -3.741  -2.287
  119   HD22  LEU  17          HD22      LEU  17  11.787  -5.377  -1.628
  120   HD23  LEU  17          HD23      LEU  17  11.489  -3.952  -0.605
  Start of MODEL   19
    1    H1   ASN   1           H1       ASN   1  -7.793  -4.533   4.582
    2    H2   ASN   1           H2       ASN   1  -9.334  -3.946   4.566
    3    H3   ASN   1           H3       ASN   1  -8.996  -5.354   5.356
    4    HA   ASN   1           HA       ASN   1  -8.480  -6.475   3.351
    5    HB2  ASN   1           HB3      ASN   1 -10.852  -6.202   4.315
    6    HB3  ASN   1           HB2      ASN   1 -11.123  -5.019   3.031
    7   HD21  ASN   1          HD21      ASN   1 -10.404  -8.492   3.635
    8   HD22  ASN   1          HD22      ASN   1 -11.082  -9.059   2.125
    9    H    VAL   2           H        VAL   2  -8.535  -6.540   1.028
   10    HA   VAL   2           HA       VAL   2  -7.168  -4.363  -0.230
   11    HB   VAL   2           HB       VAL   2  -8.355  -6.824  -1.512
   12   HG11  VAL   2          HG21      VAL   2  -7.844  -5.057  -3.199
   13   HG12  VAL   2          HG22      VAL   2  -6.152  -5.066  -2.649
   14   HG13  VAL   2          HG23      VAL   2  -6.857  -6.526  -3.385
   15   HG21  VAL   2          HG11      VAL   2  -6.644  -7.364   0.226
   16   HG22  VAL   2          HG12      VAL   2  -5.462  -6.391  -0.683
   17   HG23  VAL   2          HG13      VAL   2  -6.167  -7.850  -1.418
   18    H    HIS   3           H        HIS   3 -10.588  -5.424  -0.649
   19    HA   HIS   3           HA       HIS   3 -11.295  -3.563  -2.674
   20    HB2  HIS   3           HB3      HIS   3 -12.467  -5.715  -1.750
   21    HB3  HIS   3           HB2      HIS   3 -13.301  -4.573  -0.676
   22    HD1  HIS   3           HD1      HIS   3 -12.749  -5.092  -4.541
   23    HD2  HIS   3           HD2      HIS   3 -15.367  -3.296  -1.650
   24    HE1  HIS   3           HE1      HIS   3 -14.830  -4.111  -5.696
   25    H    THR   4           H        THR   4 -11.679  -3.222   0.862
   26    HA   THR   4           HA       THR   4 -12.831  -0.561   0.696
   27    HB   THR   4           HB       THR   4 -12.544  -0.649   3.219
   28    HG1  THR   4           HG1      THR   4 -12.077  -2.657   4.134
   29   HG21  THR   4          HG21      THR   4 -14.339  -2.278   3.630
   30   HG22  THR   4          HG22      THR   4 -14.152  -2.902   1.974
   31   HG23  THR   4          HG23      THR   4 -14.699  -1.229   2.239
   32    H    PHE   5           H        PHE   5  -9.819  -1.628   2.356
   33    HA   PHE   5           HA       PHE   5  -8.636   1.049   2.149
   34    HB2  PHE   5           HB3      PHE   5  -7.547  -1.557   3.287
   35    HB3  PHE   5           HB2      PHE   5  -6.699  -0.009   3.333
   36    HD1  PHE   5           HD1      PHE   5  -9.782  -1.772   4.515
   37    HD2  PHE   5           HD2      PHE   5  -7.059   1.500   5.161
   38    HE1  PHE   5           HE1      PHE   5 -10.842  -1.328   6.733
   39    HE2  PHE   5           HE2      PHE   5  -8.102   1.923   7.369
   40    HZ   PHE   5           HZ       PHE   5  -9.980   0.516   8.154
   41    H    ARG   6           H        ARG   6  -7.358   1.765   0.584
   42    HA   ARG   6           HA       ARG   6  -6.501   0.005  -1.601
   43    HB2  ARG   6           HB2      ARG   6  -7.505   2.497  -1.551
   44    HB3  ARG   6           HB3      ARG   6  -5.786   2.906  -1.557
   45    HG2  ARG   6           HG3      ARG   6  -7.134   1.147  -3.641
   46    HG3  ARG   6           HG2      ARG   6  -6.895   2.893  -3.810
   47    HD2  ARG   6           HD3      ARG   6  -4.419   2.540  -3.644
   48    HD3  ARG   6           HD2      ARG   6  -4.704   0.791  -3.590
   49    HE   ARG   6           HE       ARG   6  -4.982   2.567  -5.944
   50   HH11  ARG   6          HH11      ARG   6  -5.121   1.613  -7.928
   51   HH12  ARG   6          HH12      ARG   6  -5.374  -0.110  -8.092
   52   HH21  ARG   6          HH21      ARG   6  -5.561  -1.429  -6.297
   53   HH22  ARG   6          HH22      ARG   6  -5.460  -0.766  -4.681
   54    H    GLY   7           H        GLY   7  -4.730   2.585   0.108
   55    HA2  GLY   7           HA3      GLY   7  -2.693   2.375   1.341
   56    HA3  GLY   7           HA2      GLY   7  -2.408   0.794   0.588
   57    H    ILE   8           H        ILE   8  -2.791   4.231  -0.393
   58    HA   ILE   8           HA       ILE   8  -1.075   4.008  -2.716
   59    HB   ILE   8           HB       ILE   8  -2.142   6.428  -1.239
   60   HG12  ILE   8          HG13      ILE   8  -3.629   6.369  -3.512
   61   HG13  ILE   8          HG12      ILE   8  -3.414   4.637  -3.233
   62   HG21  ILE   8          HG21      ILE   8  -0.198   6.974  -2.681
   63   HG22  ILE   8          HG22      ILE   8  -1.704   7.757  -3.212
   64   HG23  ILE   8          HG23      ILE   8  -1.086   6.333  -4.084
   65   HD11  ILE   8          HD11      ILE   8  -5.517   5.436  -2.244
   66   HD12  ILE   8          HD12      ILE   8  -4.404   4.856  -0.982
   67   HD13  ILE   8          HD13      ILE   8  -4.618   6.604  -1.246
   68    H    ASN   9           H        ASN   9  -0.672   5.786   0.360
   69    HA   ASN   9           HA       ASN   9   2.176   6.139   0.111
   70    HB2  ASN   9           HB2      ASN   9   0.418   7.556   1.330
   71    HB3  ASN   9           HB3      ASN   9   0.612   6.422   2.667
   72   HD21  ASN   9          HD21      ASN   9   1.108   8.785   3.584
   73   HD22  ASN   9          HD22      ASN   9   2.808   9.200   3.606
   74    H    GLY  10           H        GLY  10   0.232   3.880   2.123
   75    HA2  GLY  10           HA2      GLY  10   2.231   2.663   3.656
   76    HA3  GLY  10           HA3      GLY  10   0.771   1.842   3.086
   77    H    HIS  11           H        HIS  11   1.137   1.465   0.424
   78    HA   HIS  11           HA       HIS  11   3.131  -0.608   0.223
   79    HB2  HIS  11           HB3      HIS  11   1.290   0.771  -1.758
   80    HB3  HIS  11           HB2      HIS  11   2.449  -0.465  -2.270
   81    HD1  HIS  11           HD1      HIS  11  -0.768  -0.175  -0.017
   82    HD2  HIS  11           HD2      HIS  11   1.817  -2.956  -1.994
   83    HE1  HIS  11           HE1      HIS  11  -1.826  -2.520  -0.033
   84    H    ASN  12           H        ASN  12   3.104   2.831  -0.928
   85    HA   ASN  12           HA       ASN  12   5.421   2.744  -2.546
   86    HB2  ASN  12           HB3      ASN  12   3.707   4.554  -2.439
   87    HB3  ASN  12           HB2      ASN  12   4.417   5.089  -0.911
   88   HD21  ASN  12          HD21      ASN  12   6.258   6.046  -4.488
   89   HD22  ASN  12          HD22      ASN  12   4.997   4.835  -4.439
   90    H    SER  13           H        SER  13   5.327   2.934   1.031
   91    HA   SER  13           HA       SER  13   8.288   3.131   1.055
   92    HB2  SER  13           HB3      SER  13   6.206   4.263   2.822
   93    HB3  SER  13           HB2      SER  13   7.634   3.606   3.654
   94    HG   SER  13           HG       SER  13   7.914   5.816   3.020
   95    H    SER  14           H        SER  14   5.639   1.017   2.394
   96    HA   SER  14           HA       SER  14   7.578  -0.582   3.815
   97    HB2  SER  14           HB3      SER  14   5.284  -0.391   4.614
   98    HB3  SER  14           HB2      SER  14   4.739  -1.375   3.240
   99    HG   SER  14           HG       SER  14   5.120  -2.637   5.139
  100    H    SER  15           H        SER  15   5.932  -1.167   0.654
  101    HA   SER  15           HA       SER  15   7.377  -3.625   0.174
  102    HB2  SER  15           HB3      SER  15   6.080  -1.732  -1.823
  103    HB3  SER  15           HB2      SER  15   6.602  -3.397  -2.151
  104    HG   SER  15           HG       SER  15   4.347  -3.253  -1.673
  105    H    SER  16           H        SER  16   8.609  -0.350   0.108
  106    HA   SER  16           HA       SER  16  10.558  -0.821  -2.031
  107    HB2  SER  16           HB2      SER  16  11.316   1.439  -1.635
  108    HB3  SER  16           HB3      SER  16   9.544   1.412  -1.710
  109    HG   SER  16           HG       SER  16  10.340   2.701   0.028
  110    H    LEU  17           H        LEU  17  12.493  -1.721  -1.847
  111    HA   LEU  17           HA       LEU  17  13.501  -2.656   0.728
  112    HB2  LEU  17           HB2      LEU  17  14.327  -2.869  -2.162
  113    HB3  LEU  17           HB3      LEU  17  15.429  -3.405  -0.892
  114    HG   LEU  17           HG       LEU  17  14.120  -5.187  -1.975
  115   HD11  LEU  17          HD11      LEU  17  15.108  -5.452   0.280
  116   HD12  LEU  17          HD12      LEU  17  13.517  -5.072   0.980
  117   HD13  LEU  17          HD13      LEU  17  13.717  -6.515  -0.043
  118   HD21  LEU  17          HD21      LEU  17  11.926  -4.081  -2.276
  119   HD22  LEU  17          HD22      LEU  17  11.839  -5.706  -1.552
  120   HD23  LEU  17          HD23      LEU  17  11.638  -4.264  -0.528
  Start of MODEL   20
    1    H1   ASN   1           H1       ASN   1 -10.620  -4.094   5.080
    2    H2   ASN   1           H2       ASN   1 -10.094  -3.271   6.409
    3    H3   ASN   1           H3       ASN   1  -9.154  -4.453   5.747
    4    HA   ASN   1           HA       ASN   1  -9.855  -1.863   4.591
    5    HB2  ASN   1           HB3      ASN   1  -8.201  -2.092   6.502
    6    HB3  ASN   1           HB2      ASN   1  -7.126  -2.896   5.353
    7   HD21  ASN   1          HD21      ASN   1  -5.686   0.164   4.403
    8   HD22  ASN   1          HD22      ASN   1  -5.501  -1.541   4.751
    9    H    VAL   2           H        VAL   2  -9.570  -4.904   3.489
   10    HA   VAL   2           HA       VAL   2  -7.954  -4.531   1.114
   11    HB   VAL   2           HB       VAL   2  -9.815  -6.802   1.816
   12   HG11  VAL   2          HG21      VAL   2  -9.350  -6.697  -0.632
   13   HG12  VAL   2          HG22      VAL   2  -7.611  -6.824  -0.276
   14   HG13  VAL   2          HG23      VAL   2  -8.706  -8.160   0.150
   15   HG21  VAL   2          HG11      VAL   2  -7.914  -6.581   3.421
   16   HG22  VAL   2          HG12      VAL   2  -7.879  -8.095   2.485
   17   HG23  VAL   2          HG13      VAL   2  -6.783  -6.758   2.059
   18    H    HIS   3           H        HIS   3 -11.519  -4.902   1.558
   19    HA   HIS   3           HA       HIS   3 -12.254  -4.312  -1.125
   20    HB2  HIS   3           HB3      HIS   3 -13.544  -5.385   0.895
   21    HB3  HIS   3           HB2      HIS   3 -14.070  -3.717   1.199
   22    HD1  HIS   3           HD1      HIS   3 -14.125  -6.303  -1.771
   23    HD2  HIS   3           HD2      HIS   3 -16.094  -2.831  -0.194
   24    HE1  HIS   3           HE1      HIS   3 -16.222  -5.746  -3.161
   25    H    THR   4           H        THR   4 -12.027  -2.099   1.663
   26    HA   THR   4           HA       THR   4 -13.033   0.217   0.251
   27    HB   THR   4           HB       THR   4 -12.247   1.409   2.352
   28    HG1  THR   4           HG1      THR   4 -11.680   0.124   4.115
   29   HG21  THR   4          HG21      THR   4 -13.983   0.497   3.838
   30   HG22  THR   4          HG22      THR   4 -14.156  -0.913   2.767
   31   HG23  THR   4          HG23      THR   4 -14.577   0.711   2.174
   32    H    PHE   5           H        PHE   5  -9.787  -0.226   1.759
   33    HA   PHE   5           HA       PHE   5  -8.597   1.749  -0.061
   34    HB2  PHE   5           HB3      PHE   5  -8.143   1.509   2.437
   35    HB3  PHE   5           HB2      PHE   5  -7.245   0.044   2.045
   36    HD1  PHE   5           HD1      PHE   5  -7.252   3.727   1.833
   37    HD2  PHE   5           HD2      PHE   5  -4.994   0.089   1.328
   38    HE1  PHE   5           HE1      PHE   5  -5.145   5.009   2.056
   39    HE2  PHE   5           HE2      PHE   5  -2.879   1.373   1.586
   40    HZ   PHE   5           HZ       PHE   5  -2.971   3.843   1.993
   41    H    ARG   6           H        ARG   6  -7.031   1.447  -1.537
   42    HA   ARG   6           HA       ARG   6  -6.834  -1.163  -2.869
   43    HB2  ARG   6           HB3      ARG   6  -6.967   1.468  -3.693
   44    HB3  ARG   6           HB2      ARG   6  -5.241   1.126  -3.855
   45    HG2  ARG   6           HG2      ARG   6  -6.109   0.677  -5.975
   46    HG3  ARG   6           HG3      ARG   6  -5.916  -0.922  -5.243
   47    HD2  ARG   6           HD3      ARG   6  -8.361  -0.969  -4.742
   48    HD3  ARG   6           HD2      ARG   6  -8.534   0.625  -5.501
   49    HE   ARG   6           HE       ARG   6  -8.088  -1.960  -6.875
   50   HH11  ARG   6          HH11      ARG   6  -8.667  -0.567  -9.983
   51   HH12  ARG   6          HH12      ARG   6  -8.437  -2.029  -9.051
   52   HH21  ARG   6          HH21      ARG   6  -8.620   1.445  -9.009
   53   HH22  ARG   6          HH22      ARG   6  -8.352   1.602  -7.287
   54    H    GLY   7           H        GLY   7  -4.258   1.235  -2.310
   55    HA2  GLY   7           HA3      GLY   7  -2.698  -0.030  -0.366
   56    HA3  GLY   7           HA2      GLY   7  -2.205  -0.766  -1.899
   57    H    ILE   8           H        ILE   8  -2.953   2.549  -0.753
   58    HA   ILE   8           HA       ILE   8  -0.859   3.792  -2.338
   59    HB   ILE   8           HB       ILE   8  -2.643   4.861  -0.133
   60   HG12  ILE   8          HG13      ILE   8  -3.650   6.011  -2.384
   61   HG13  ILE   8          HG12      ILE   8  -3.140   4.445  -3.028
   62   HG21  ILE   8          HG21      ILE   8  -0.626   6.262  -0.474
   63   HG22  ILE   8          HG22      ILE   8  -2.141   7.105  -0.880
   64   HG23  ILE   8          HG23      ILE   8  -1.094   6.481  -2.178
   65   HD11  ILE   8          HD11      ILE   8  -5.505   4.395  -2.361
   66   HD12  ILE   8          HD12      ILE   8  -4.544   3.279  -1.363
   67   HD13  ILE   8          HD13      ILE   8  -5.058   4.848  -0.699
   68    H    ASN   9           H        ASN   9  -1.370   3.513   1.201
   69    HA   ASN   9           HA       ASN   9   1.309   4.172   1.971
   70    HB2  ASN   9           HB2      ASN   9  -0.892   4.341   3.263
   71    HB3  ASN   9           HB3      ASN   9  -0.652   2.642   3.668
   72   HD21  ASN   9          HD21      ASN   9   0.643   4.390   6.617
   73   HD22  ASN   9          HD22      ASN   9  -0.882   3.936   5.890
   74    H    GLY  10           H        GLY  10  -0.303   0.962   1.702
   75    HA2  GLY  10           HA2      GLY  10   1.688  -0.731   2.697
   76    HA3  GLY  10           HA3      GLY  10   0.574  -1.164   1.392
   77    H    HIS  11           H        HIS  11   1.397   0.240  -0.766
   78    HA   HIS  11           HA       HIS  11   3.861  -1.014  -1.594
   79    HB2  HIS  11           HB2      HIS  11   1.970   1.009  -2.818
   80    HB3  HIS  11           HB3      HIS  11   3.480   0.573  -3.631
   81    HD1  HIS  11           HD1      HIS  11   0.070  -1.085  -2.571
   82    HD2  HIS  11           HD2      HIS  11   3.558  -1.640  -4.991
   83    HE1  HIS  11           HE1      HIS  11  -0.249  -3.084  -4.158
   84    H    ASN  12           H        ASN  12   3.098   2.390  -0.563
   85    HA   ASN  12           HA       ASN  12   5.587   3.556  -1.257
   86    HB2  ASN  12           HB3      ASN  12   3.488   4.745  -0.615
   87    HB3  ASN  12           HB2      ASN  12   3.799   4.311   1.071
   88   HD21  ASN  12          HD21      ASN  12   4.966   6.314  -1.664
   89   HD22  ASN  12          HD22      ASN  12   5.889   7.423  -0.675
   90    H    SER  13           H        SER  13   4.860   1.529   1.558
   91    HA   SER  13           HA       SER  13   7.471   2.014   2.847
   92    HB2  SER  13           HB2      SER  13   6.428   0.711   4.690
   93    HB3  SER  13           HB3      SER  13   5.376   2.041   4.173
   94    HG   SER  13           HG       SER  13   3.994   0.379   4.239
   95    H    SER  14           H        SER  14   5.601  -0.891   1.670
   96    HA   SER  14           HA       SER  14   7.826  -2.631   2.148
   97    HB2  SER  14           HB3      SER  14   5.526  -3.430   2.235
   98    HB3  SER  14           HB2      SER  14   5.445  -3.322   0.463
   99    HG   SER  14           HG       SER  14   6.042  -5.431   1.197
  100    H    SER  15           H        SER  15   6.748  -1.125  -0.940
  101    HA   SER  15           HA       SER  15   8.881  -2.339  -2.465
  102    HB2  SER  15           HB3      SER  15   7.420   0.260  -3.066
  103    HB3  SER  15           HB2      SER  15   8.398  -0.692  -4.201
  104    HG   SER  15           HG       SER  15   6.137  -1.113  -4.409
  105    H    SER  16           H        SER  16   9.028   0.299  -0.106
  106    HA   SER  16           HA       SER  16  11.588   1.321  -1.220
  107    HB2  SER  16           HB3      SER  16   9.851   2.314   1.080
  108    HB3  SER  16           HB2      SER  16  11.395   3.046   0.591
  109    HG   SER  16           HG       SER  16   9.572   4.093  -0.372
  110    H    LEU  17           H        LEU  17  13.202  -0.083  -0.789
  111    HA   LEU  17           HA       LEU  17  13.365  -1.621   1.699
  112    HB2  LEU  17           HB2      LEU  17  14.988  -1.351  -0.827
  113    HB3  LEU  17           HB3      LEU  17  15.649  -2.226   0.556
  114    HG   LEU  17           HG       LEU  17  14.653  -3.636  -1.196
  115   HD11  LEU  17          HD11      LEU  17  14.908  -4.417   1.139
  116   HD12  LEU  17          HD12      LEU  17  13.639  -5.258   0.216
  117   HD13  LEU  17          HD13      LEU  17  13.195  -4.022   1.418
  118   HD21  LEU  17          HD21      LEU  17  12.694  -2.283  -1.873
  119   HD22  LEU  17          HD22      LEU  17  12.332  -3.998  -1.562
  120   HD23  LEU  17          HD23      LEU  17  11.888  -2.762  -0.360
  Start of MODEL   21
    1    H1   ASN   1           H1       ASN   1 -11.419   5.092   1.816
    2    H2   ASN   1           H2       ASN   1 -11.099   3.822   0.815
    3    H3   ASN   1           H3       ASN   1 -12.376   4.817   0.501
    4    HA   ASN   1           HA       ASN   1 -13.523   4.123   2.441
    5    HB2  ASN   1           HB3      ASN   1 -13.572   2.884   0.170
    6    HB3  ASN   1           HB2      ASN   1 -12.576   1.655   0.960
    7   HD21  ASN   1          HD21      ASN   1 -15.812   3.186   0.943
    8   HD22  ASN   1          HD22      ASN   1 -16.620   1.884   1.787
    9    H    VAL   2           H        VAL   2 -13.724   2.739   4.238
   10    HA   VAL   2           HA       VAL   2 -11.205   2.315   5.677
   11    HB   VAL   2           HB       VAL   2 -14.030   2.167   6.718
   12   HG11  VAL   2          HG21      VAL   2 -12.464   0.812   8.109
   13   HG12  VAL   2          HG22      VAL   2 -11.482   2.273   8.372
   14   HG13  VAL   2          HG23      VAL   2 -13.156   2.206   8.973
   15   HG21  VAL   2          HG11      VAL   2 -13.358   4.472   6.035
   16   HG22  VAL   2          HG12      VAL   2 -13.671   4.312   7.780
   17   HG23  VAL   2          HG13      VAL   2 -11.998   4.380   7.179
   18    H    HIS   3           H        HIS   3 -14.078   0.203   5.022
   19    HA   HIS   3           HA       HIS   3 -12.910  -2.179   6.023
   20    HB2  HIS   3           HB3      HIS   3 -15.375  -1.546   5.468
   21    HB3  HIS   3           HB2      HIS   3 -15.008  -2.236   3.873
   22    HD1  HIS   3           HD1      HIS   3 -14.869  -3.351   7.648
   23    HD2  HIS   3           HD2      HIS   3 -15.137  -4.838   3.629
   24    HE1  HIS   3           HE1      HIS   3 -15.235  -5.900   7.652
   25    H    THR   4           H        THR   4 -13.028  -1.081   2.625
   26    HA   THR   4           HA       THR   4 -11.397  -3.328   1.710
   27    HB   THR   4           HB       THR   4 -11.578  -2.109  -0.522
   28    HG1  THR   4           HG1      THR   4 -12.181  -0.056   0.364
   29   HG21  THR   4          HG21      THR   4 -13.901  -2.789  -0.958
   30   HG22  THR   4          HG22      THR   4 -13.001  -4.032  -0.057
   31   HG23  THR   4          HG23      THR   4 -14.168  -2.989   0.790
   32    H    PHE   5           H        PHE   5 -10.930   0.216   1.213
   33    HA   PHE   5           HA       PHE   5  -9.134   1.581   1.299
   34    HB2  PHE   5           HB2      PHE   5  -8.851   0.747   3.592
   35    HB3  PHE   5           HB3      PHE   5  -7.720  -0.473   3.006
   36    HD1  PHE   5           HD1      PHE   5  -8.191   3.168   3.571
   37    HD2  PHE   5           HD2      PHE   5  -5.444  -0.012   2.634
   38    HE1  PHE   5           HE1      PHE   5  -6.280   4.689   4.030
   39    HE2  PHE   5           HE2      PHE   5  -3.539   1.474   3.193
   40    HZ   PHE   5           HZ       PHE   5  -3.953   3.843   3.852
   41    H    ARG   6           H        ARG   6  -7.485   2.211   0.096
   42    HA   ARG   6           HA       ARG   6  -6.532   0.386  -2.002
   43    HB2  ARG   6           HB2      ARG   6  -7.429   2.860  -2.188
   44    HB3  ARG   6           HB3      ARG   6  -5.751   3.283  -1.841
   45    HG2  ARG   6           HG3      ARG   6  -6.666   1.557  -4.176
   46    HG3  ARG   6           HG2      ARG   6  -6.319   3.291  -4.266
   47    HD2  ARG   6           HD3      ARG   6  -3.955   2.741  -3.461
   48    HD3  ARG   6           HD2      ARG   6  -4.361   1.034  -3.725
   49    HE   ARG   6           HE       ARG   6  -4.998   2.261  -6.134
   50   HH11  ARG   6          HH11      ARG   6  -1.967   2.063  -4.205
   51   HH12  ARG   6          HH12      ARG   6  -0.971   2.202  -5.635
   52   HH21  ARG   6          HH21      ARG   6  -1.895   2.405  -7.664
   53   HH22  ARG   6          HH22      ARG   6  -3.632   2.429  -7.869
   54    H    GLY   7           H        GLY   7  -4.765   2.924  -0.234
   55    HA2  GLY   7           HA3      GLY   7  -2.898   2.631   1.236
   56    HA3  GLY   7           HA2      GLY   7  -2.658   0.997   0.591
   57    H    ILE   8           H        ILE   8  -2.690   4.377  -0.636
   58    HA   ILE   8           HA       ILE   8  -0.719   3.928  -2.704
   59    HB   ILE   8           HB       ILE   8  -1.782   6.484  -1.472
   60   HG12  ILE   8          HG13      ILE   8  -2.991   6.427  -3.898
   61   HG13  ILE   8          HG12      ILE   8  -2.926   4.695  -3.548
   62   HG21  ILE   8          HG21      ILE   8   0.351   6.836  -2.690
   63   HG22  ILE   8          HG22      ILE   8  -0.411   6.189  -4.163
   64   HG23  ILE   8          HG23      ILE   8  -1.026   7.688  -3.426
   65   HD11  ILE   8          HD11      ILE   8  -5.075   5.659  -2.843
   66   HD12  ILE   8          HD12      ILE   8  -4.160   5.055  -1.440
   67   HD13  ILE   8          HD13      ILE   8  -4.225   6.801  -1.775
   68    H    ASN   9           H        ASN   9  -0.569   5.823   0.332
   69    HA   ASN   9           HA       ASN   9   2.249   6.193   0.417
   70    HB2  ASN   9           HB2      ASN   9   0.355   7.444   1.583
   71    HB3  ASN   9           HB3      ASN   9   0.446   6.200   2.830
   72   HD21  ASN   9          HD21      ASN   9   2.448   8.928   4.234
   73   HD22  ASN   9          HD22      ASN   9   0.774   8.473   4.001
   74    H    GLY  10           H        GLY  10   0.264   3.715   2.119
   75    HA2  GLY  10           HA2      GLY  10   2.262   2.448   3.645
   76    HA3  GLY  10           HA3      GLY  10   0.829   1.639   2.992
   77    H    HIS  11           H        HIS  11   1.269   1.527   0.287
   78    HA   HIS  11           HA       HIS  11   3.264  -0.515  -0.054
   79    HB2  HIS  11           HB3      HIS  11   1.396   1.022  -1.848
   80    HB3  HIS  11           HB2      HIS  11   2.696   0.068  -2.583
   81    HD1  HIS  11           HD1      HIS  11   2.208  -2.605  -2.806
   82    HD2  HIS  11           HD2      HIS  11  -0.314  -0.310  -0.226
   83    HE1  HIS  11           HE1      HIS  11   0.244  -4.048  -1.957
   84    H    ASN  12           H        ASN  12   3.320   3.022  -0.825
   85    HA   ASN  12           HA       ASN  12   5.688   3.096  -2.360
   86    HB2  ASN  12           HB2      ASN  12   3.977   4.896  -2.044
   87    HB3  ASN  12           HB3      ASN  12   4.699   5.252  -0.469
   88   HD21  ASN  12          HD21      ASN  12   6.397   6.724  -0.397
   89   HD22  ASN  12          HD22      ASN  12   7.217   7.345  -1.812
   90    H    SER  13           H        SER  13   5.483   2.830   1.204
   91    HA   SER  13           HA       SER  13   8.441   2.985   1.362
   92    HB2  SER  13           HB3      SER  13   6.275   3.780   3.254
   93    HB3  SER  13           HB2      SER  13   7.784   3.152   3.953
   94    HG   SER  13           HG       SER  13   7.852   5.440   3.602
   95    H    SER  14           H        SER  14   5.716   0.797   2.443
   96    HA   SER  14           HA       SER  14   7.575  -1.038   3.635
   97    HB2  SER  14           HB3      SER  14   5.277  -0.883   4.410
   98    HB3  SER  14           HB2      SER  14   4.732  -1.663   2.910
   99    HG   SER  14           HG       SER  14   5.035  -3.172   4.636
  100    H    SER  15           H        SER  15   5.962  -1.214   0.410
  101    HA   SER  15           HA       SER  15   7.395  -3.611  -0.345
  102    HB2  SER  15           HB3      SER  15   6.134  -1.496  -2.135
  103    HB3  SER  15           HB2      SER  15   6.632  -3.127  -2.628
  104    HG   SER  15           HG       SER  15   4.374  -2.993  -2.160
  105    H    SER  16           H        SER  16   8.579  -0.333  -0.047
  106    HA   SER  16           HA       SER  16  10.703  -0.616  -2.075
  107    HB2  SER  16           HB3      SER  16   9.527   1.555  -1.707
  108    HB3  SER  16           HB2      SER  16  10.155   1.595  -0.045
  109    HG   SER  16           HG       SER  16  11.465   2.803  -1.519
  110    H    LEU  17           H        LEU  17  12.526  -1.677  -1.662
  111    HA   LEU  17           HA       LEU  17  13.299  -2.511   1.029
  112    HB2  LEU  17           HB2      LEU  17  14.344  -2.899  -1.772
  113    HB3  LEU  17           HB3      LEU  17  15.312  -3.414  -0.389
  114    HG   LEU  17           HG       LEU  17  14.036  -5.201  -1.490
  115   HD11  LEU  17          HD11      LEU  17  14.788  -5.378   0.863
  116   HD12  LEU  17          HD12      LEU  17  13.393  -6.405   0.456
  117   HD13  LEU  17          HD13      LEU  17  13.153  -4.904   1.381
  118   HD21  LEU  17          HD21      LEU  17  11.932  -4.033  -2.065
  119   HD22  LEU  17          HD22      LEU  17  11.706  -5.610  -1.273
  120   HD23  LEU  17          HD23      LEU  17  11.466  -4.109  -0.348
  Start of MODEL   22
    1    H1   ASN   1           H1       ASN   1  -4.162   8.681   5.221
    2    H2   ASN   1           H2       ASN   1  -5.640   8.361   5.876
    3    H3   ASN   1           H3       ASN   1  -4.595   9.373   6.653
    4    HA   ASN   1           HA       ASN   1  -3.063   7.629   7.069
    5    HB2  ASN   1           HB2      ASN   1  -5.157   8.171   8.523
    6    HB3  ASN   1           HB3      ASN   1  -5.802   6.639   7.916
    7   HD21  ASN   1          HD21      ASN   1  -5.457   4.906   9.260
    8   HD22  ASN   1          HD22      ASN   1  -4.136   4.763  10.398
    9    H    VAL   2           H        VAL   2  -2.495   5.422   6.995
   10    HA   VAL   2           HA       VAL   2  -2.966   4.104   4.504
   11    HB   VAL   2           HB       VAL   2  -1.563   3.043   6.952
   12   HG11  VAL   2          HG11      VAL   2  -2.200   1.191   5.402
   13   HG12  VAL   2          HG12      VAL   2  -1.293   2.006   4.105
   14   HG13  VAL   2          HG13      VAL   2  -0.440   1.416   5.552
   15   HG21  VAL   2          HG21      VAL   2  -0.506   5.098   5.999
   16   HG22  VAL   2          HG22      VAL   2  -0.321   4.247   4.447
   17   HG23  VAL   2          HG23      VAL   2   0.531   3.656   5.894
   18    H    HIS   3           H        HIS   3  -4.271   3.279   7.753
   19    HA   HIS   3           HA       HIS   3  -5.663   0.917   7.086
   20    HB2  HIS   3           HB3      HIS   3  -5.139   2.132   9.354
   21    HB3  HIS   3           HB2      HIS   3  -6.744   2.854   9.116
   22    HD1  HIS   3           HD1      HIS   3  -5.167  -0.755   9.265
   23    HD2  HIS   3           HD2      HIS   3  -8.799   1.447   9.885
   24    HE1  HIS   3           HE1      HIS   3  -6.998  -2.289  10.228
   25    H    THR   4           H        THR   4  -6.879   4.267   6.888
   26    HA   THR   4           HA       THR   4  -9.579   3.659   6.187
   27    HB   THR   4           HB       THR   4  -9.571   6.079   5.386
   28    HG1  THR   4           HG1      THR   4  -7.290   6.207   4.994
   29   HG21  THR   4          HG21      THR   4  -9.412   7.075   7.628
   30   HG22  THR   4          HG22      THR   4  -8.657   5.581   8.235
   31   HG23  THR   4          HG23      THR   4 -10.334   5.553   7.638
   32    H    PHE   5           H        PHE   5  -7.035   5.004   4.017
   33    HA   PHE   5           HA       PHE   5  -8.465   4.256   1.627
   34    HB2  PHE   5           HB2      PHE   5  -6.524   5.110   0.414
   35    HB3  PHE   5           HB3      PHE   5  -7.239   6.240   1.547
   36    HD1  PHE   5           HD1      PHE   5  -4.530   3.578   2.011
   37    HD2  PHE   5           HD2      PHE   5  -5.518   7.776   1.782
   38    HE1  PHE   5           HE1      PHE   5  -2.150   4.166   2.314
   39    HE2  PHE   5           HE2      PHE   5  -3.144   8.356   2.177
   40    HZ   PHE   5           HZ       PHE   5  -1.461   6.562   2.461
   41    H    ARG   6           H        ARG   6  -7.188   3.147  -0.242
   42    HA   ARG   6           HA       ARG   6  -7.021   0.354   0.259
   43    HB2  ARG   6           HB3      ARG   6  -7.258   2.042  -1.900
   44    HB3  ARG   6           HB2      ARG   6  -5.618   1.425  -2.119
   45    HG2  ARG   6           HG2      ARG   6  -6.937  -0.002  -3.413
   46    HG3  ARG   6           HG3      ARG   6  -6.630  -0.929  -1.937
   47    HD2  ARG   6           HD2      ARG   6  -8.897  -0.359  -1.108
   48    HD3  ARG   6           HD3      ARG   6  -9.202   0.585  -2.582
   49    HE   ARG   6           HE       ARG   6  -8.425  -2.050  -3.351
   50   HH11  ARG   6          HH11      ARG   6  -9.904  -3.557  -4.013
   51   HH12  ARG   6          HH12      ARG   6 -11.595  -3.419  -3.584
   52   HH21  ARG   6          HH21      ARG   6 -12.340  -1.711  -2.345
   53   HH22  ARG   6          HH22      ARG   6 -11.246  -0.470  -1.776
   54    H    GLY   7           H        GLY   7  -4.337   2.380  -0.959
   55    HA2  GLY   7           HA3      GLY   7  -2.395   1.929   0.984
   56    HA3  GLY   7           HA2      GLY   7  -2.298   0.510  -0.069
   57    H    ILE   8           H        ILE   8  -2.558   4.066  -0.462
   58    HA   ILE   8           HA       ILE   8  -0.868   4.116  -2.834
   59    HB   ILE   8           HB       ILE   8  -1.964   6.332  -1.080
   60   HG12  ILE   8          HG13      ILE   8  -3.425   6.569  -3.346
   61   HG13  ILE   8          HG12      ILE   8  -3.177   4.819  -3.335
   62   HG21  ILE   8          HG21      ILE   8   0.001   7.064  -2.406
   63   HG22  ILE   8          HG22      ILE   8  -1.501   7.900  -2.865
   64   HG23  ILE   8          HG23      ILE   8  -0.857   6.600  -3.895
   65   HD11  ILE   8          HD11      ILE   8  -5.310   5.415  -2.272
   66   HD12  ILE   8          HD12      ILE   8  -4.450   6.430  -1.089
   67   HD13  ILE   8          HD13      ILE   8  -4.204   4.667  -1.095
   68    H    ASN   9           H        ASN   9  -0.497   5.532   0.438
   69    HA   ASN   9           HA       ASN   9   2.370   5.842   0.269
   70    HB2  ASN   9           HB2      ASN   9   0.655   7.215   1.581
   71    HB3  ASN   9           HB3      ASN   9   0.744   5.947   2.804
   72   HD21  ASN   9          HD21      ASN   9   3.029   8.507   4.086
   73   HD22  ASN   9          HD22      ASN   9   1.314   8.185   3.961
   74    H    GLY  10           H        GLY  10   0.294   3.462   1.988
   75    HA2  GLY  10           HA2      GLY  10   2.179   2.051   3.490
   76    HA3  GLY  10           HA3      GLY  10   0.746   1.321   2.755
   77    H    HIS  11           H        HIS  11   1.230   1.160   0.119
   78    HA   HIS  11           HA       HIS  11   3.243  -0.884  -0.186
   79    HB2  HIS  11           HB2      HIS  11   1.455   0.647  -2.098
   80    HB3  HIS  11           HB3      HIS  11   2.637  -0.529  -2.689
   81    HD1  HIS  11           HD1      HIS  11  -0.663  -0.418  -0.554
   82    HD2  HIS  11           HD2      HIS  11   2.021  -3.055  -2.599
   83    HE1  HIS  11           HE1      HIS  11  -1.693  -2.769  -0.751
   84    H    ASN  12           H        ASN  12   3.224   2.643  -1.075
   85    HA   ASN  12           HA       ASN  12   5.630   2.666  -2.573
   86    HB2  ASN  12           HB2      ASN  12   3.935   4.487  -2.432
   87    HB3  ASN  12           HB3      ASN  12   4.550   4.905  -0.827
   88   HD21  ASN  12          HD21      ASN  12   7.175   6.927  -2.073
   89   HD22  ASN  12          HD22      ASN  12   6.275   6.347  -0.690
   90    H    SER  13           H        SER  13   5.241   2.917   0.990
   91    HA   SER  13           HA       SER  13   8.115   3.150   1.449
   92    HB2  SER  13           HB3      SER  13   5.751   3.001   3.360
   93    HB3  SER  13           HB2      SER  13   7.442   3.175   3.878
   94    HG   SER  13           HG       SER  13   6.359   5.210   3.683
   95    H    SER  14           H        SER  14   5.670   0.540   2.258
   96    HA   SER  14           HA       SER  14   7.741  -1.122   3.341
   97    HB2  SER  14           HB3      SER  14   5.417  -1.300   4.083
   98    HB3  SER  14           HB2      SER  14   5.024  -2.112   2.549
   99    HG   SER  14           HG       SER  14   5.530  -3.605   4.240
  100    H    SER  15           H        SER  15   6.228  -1.244   0.057
  101    HA   SER  15           HA       SER  15   7.908  -3.432  -0.792
  102    HB2  SER  15           HB3      SER  15   6.639  -1.296  -2.545
  103    HB3  SER  15           HB2      SER  15   7.285  -2.860  -3.082
  104    HG   SER  15           HG       SER  15   4.993  -2.897  -2.796
  105    H    SER  16           H        SER  16   8.776  -0.038  -0.267
  106    HA   SER  16           HA       SER  16  11.170  -0.258  -2.013
  107    HB2  SER  16           HB3      SER  16   9.783   1.809  -2.140
  108    HB3  SER  16           HB2      SER  16  10.115   2.119  -0.421
  109    HG   SER  16           HG       SER  16  11.565   3.256  -1.824
  110    H    LEU  17           H        LEU  17  12.683  -1.505  -1.055
  111    HA   LEU  17           HA       LEU  17  13.148  -1.528   1.836
  112    HB2  LEU  17           HB2      LEU  17  14.297  -2.911  -0.583
  113    HB3  LEU  17           HB3      LEU  17  15.106  -3.049   0.979
  114    HG   LEU  17           HG       LEU  17  13.665  -4.949   0.376
  115   HD11  LEU  17          HD11      LEU  17  14.260  -4.438   2.724
  116   HD12  LEU  17          HD12      LEU  17  12.678  -3.645   2.912
  117   HD13  LEU  17          HD13      LEU  17  12.764  -5.382   2.532
  118   HD21  LEU  17          HD21      LEU  17  11.768  -3.806  -0.728
  119   HD22  LEU  17          HD22      LEU  17  11.206  -3.273   0.875
  120   HD23  LEU  17          HD23      LEU  17  11.293  -5.010   0.494
  Start of MODEL   23
    1    H1   ASN   1           H1       ASN   1  -8.824   3.553   6.725
    2    H2   ASN   1           H2       ASN   1  -7.777   2.927   7.835
    3    H3   ASN   1           H3       ASN   1  -7.729   4.535   7.471
    4    HA   ASN   1           HA       ASN   1  -6.973   4.172   5.319
    5    HB2  ASN   1           HB3      ASN   1  -5.518   4.195   7.433
    6    HB3  ASN   1           HB2      ASN   1  -5.256   2.475   7.114
    7   HD21  ASN   1          HD21      ASN   1  -2.662   3.055   4.803
    8   HD22  ASN   1          HD22      ASN   1  -3.497   1.947   5.868
    9    H    VAL   2           H        VAL   2  -8.653   1.549   6.213
   10    HA   VAL   2           HA       VAL   2  -7.768  -0.133   3.931
   11    HB   VAL   2           HB       VAL   2  -9.012  -1.075   6.517
   12   HG11  VAL   2          HG21      VAL   2  -9.808  -2.440   4.588
   13   HG12  VAL   2          HG22      VAL   2  -8.114  -2.830   4.205
   14   HG13  VAL   2          HG23      VAL   2  -8.822  -3.360   5.750
   15   HG21  VAL   2          HG11      VAL   2  -6.581  -0.552   6.714
   16   HG22  VAL   2          HG12      VAL   2  -6.961  -2.271   6.977
   17   HG23  VAL   2          HG13      VAL   2  -6.252  -1.742   5.432
   18    H    HIS   3           H        HIS   3 -10.709   0.818   5.811
   19    HA   HIS   3           HA       HIS   3 -12.632  -0.033   3.890
   20    HB2  HIS   3           HB3      HIS   3 -12.789   0.617   6.429
   21    HB3  HIS   3           HB2      HIS   3 -13.152   2.235   5.796
   22    HD1  HIS   3           HD1      HIS   3 -15.779   2.071   6.633
   23    HD2  HIS   3           HD2      HIS   3 -14.344  -0.858   3.843
   24    HE1  HIS   3           HE1      HIS   3 -17.747   0.756   5.617
   25    H    THR   4           H        THR   4 -11.320   3.269   4.425
   26    HA   THR   4           HA       THR   4 -12.689   4.265   2.014
   27    HB   THR   4           HB       THR   4 -12.171   5.414   4.475
   28    HG1  THR   4           HG1      THR   4 -12.955   6.741   2.103
   29   HG21  THR   4          HG21      THR   4 -11.189   7.654   3.919
   30   HG22  THR   4          HG22      THR   4 -10.017   6.329   4.115
   31   HG23  THR   4          HG23      THR   4 -10.452   6.899   2.486
   32    H    PHE   5           H        PHE   5  -9.328   4.291   3.251
   33    HA   PHE   5           HA       PHE   5  -8.214   4.760   0.578
   34    HB2  PHE   5           HB3      PHE   5  -7.370   5.752   2.754
   35    HB3  PHE   5           HB2      PHE   5  -6.774   4.148   3.171
   36    HD1  PHE   5           HD1      PHE   5  -6.274   7.095   1.008
   37    HD2  PHE   5           HD2      PHE   5  -4.695   3.317   2.377
   38    HE1  PHE   5           HE1      PHE   5  -3.995   7.822   0.383
   39    HE2  PHE   5           HE2      PHE   5  -2.408   4.064   1.762
   40    HZ   PHE   5           HZ       PHE   5  -2.063   6.351   0.807
   41    H    ARG   6           H        ARG   6  -6.890   3.435  -0.599
   42    HA   ARG   6           HA       ARG   6  -7.308   0.533  -0.337
   43    HB2  ARG   6           HB3      ARG   6  -7.240   2.294  -2.451
   44    HB3  ARG   6           HB2      ARG   6  -5.616   1.599  -2.520
   45    HG2  ARG   6           HG2      ARG   6  -6.695   0.150  -3.902
   46    HG3  ARG   6           HG3      ARG   6  -6.918  -0.698  -2.369
   47    HD2  ARG   6           HD3      ARG   6  -9.010   1.109  -3.642
   48    HD3  ARG   6           HD2      ARG   6  -8.935  -0.646  -3.870
   49    HE   ARG   6           HE       ARG   6  -9.453  -0.929  -1.487
   50   HH11  ARG   6          HH11      ARG   6 -11.172   2.742  -1.426
   51   HH12  ARG   6          HH12      ARG   6 -10.085   2.380  -2.747
   52   HH21  ARG   6          HH21      ARG   6 -10.825  -0.344   0.141
   53   HH22  ARG   6          HH22      ARG   6 -11.579   1.235   0.170
   54    H    GLY   7           H        GLY   7  -4.377   2.262  -1.383
   55    HA2  GLY   7           HA3      GLY   7  -2.692   1.891   0.831
   56    HA3  GLY   7           HA2      GLY   7  -2.567   0.401  -0.116
   57    H    ILE   8           H        ILE   8  -2.672   3.912  -0.837
   58    HA   ILE   8           HA       ILE   8  -0.736   3.738  -2.998
   59    HB   ILE   8           HB       ILE   8  -1.960   6.104  -1.550
   60   HG12  ILE   8          HG13      ILE   8  -3.181   6.141  -3.982
   61   HG13  ILE   8          HG12      ILE   8  -2.997   4.398  -3.746
   62   HG21  ILE   8          HG21      ILE   8   0.133   6.707  -2.737
   63   HG22  ILE   8          HG22      ILE   8  -0.588   6.127  -4.257
   64   HG23  ILE   8          HG23      ILE   8  -1.306   7.515  -3.404
   65   HD11  ILE   8          HD11      ILE   8  -5.199   5.167  -2.967
   66   HD12  ILE   8          HD12      ILE   8  -4.233   4.537  -1.611
   67   HD13  ILE   8          HD13      ILE   8  -4.418   6.294  -1.833
   68    H    ASN   9           H        ASN   9  -0.663   5.382   0.187
   69    HA   ASN   9           HA       ASN   9   2.168   5.797   0.280
   70    HB2  ASN   9           HB2      ASN   9   0.258   7.019   1.465
   71    HB3  ASN   9           HB3      ASN   9   0.351   5.744   2.680
   72   HD21  ASN   9          HD21      ASN   9   0.667   7.994   3.902
   73   HD22  ASN   9          HD22      ASN   9   2.339   8.445   4.153
   74    H    GLY  10           H        GLY  10   0.149   3.268   1.863
   75    HA2  GLY  10           HA2      GLY  10   2.065   1.959   3.431
   76    HA3  GLY  10           HA3      GLY  10   0.695   1.154   2.650
   77    H    HIS  11           H        HIS  11   1.285   1.084   0.014
   78    HA   HIS  11           HA       HIS  11   3.387  -0.870  -0.252
   79    HB2  HIS  11           HB2      HIS  11   1.591   0.619  -2.177
   80    HB3  HIS  11           HB3      HIS  11   2.864  -0.455  -2.774
   81    HD1  HIS  11           HD1      HIS  11  -0.488  -0.653  -0.716
   82    HD2  HIS  11           HD2      HIS  11   2.412  -3.009  -2.807
   83    HE1  HIS  11           HE1      HIS  11  -1.338  -3.065  -1.012
   84    H    ASN  12           H        ASN  12   3.282   2.667  -1.028
   85    HA   ASN  12           HA       ASN  12   5.725   2.822  -2.467
   86    HB2  ASN  12           HB2      ASN  12   3.916   4.543  -2.316
   87    HB3  ASN  12           HB3      ASN  12   4.508   4.974  -0.706
   88   HD21  ASN  12          HD21      ASN  12   7.050   7.128  -1.931
   89   HD22  ASN  12          HD22      ASN  12   6.200   6.479  -0.546
   90    H    SER  13           H        SER  13   5.288   2.651   1.082
   91    HA   SER  13           HA       SER  13   8.188   3.080   1.508
   92    HB2  SER  13           HB3      SER  13   6.194   4.187   2.903
   93    HB3  SER  13           HB2      SER  13   6.365   2.691   3.847
   94    HG   SER  13           HG       SER  13   7.755   4.381   4.602
   95    H    SER  14           H        SER  14   5.684   0.563   2.347
   96    HA   SER  14           HA       SER  14   7.680  -1.151   3.485
   97    HB2  SER  14           HB3      SER  14   5.342  -1.269   4.172
   98    HB3  SER  14           HB2      SER  14   4.953  -2.056   2.627
   99    HG   SER  14           HG       SER  14   5.371  -3.577   4.318
  100    H    SER  15           H        SER  15   6.235  -1.264   0.185
  101    HA   SER  15           HA       SER  15   7.890  -3.480  -0.653
  102    HB2  SER  15           HB3      SER  15   5.734  -2.686  -1.727
  103    HB3  SER  15           HB2      SER  15   6.656  -1.331  -2.415
  104    HG   SER  15           HG       SER  15   6.523  -3.138  -3.856
  105    H    SER  16           H        SER  16   8.778  -0.114  -0.089
  106    HA   SER  16           HA       SER  16  11.062  -0.155  -1.963
  107    HB2  SER  16           HB3      SER  16   9.707   1.912  -1.643
  108    HB3  SER  16           HB2      SER  16  10.186   1.944   0.069
  109    HG   SER  16           HG       SER  16  11.524   3.291  -1.256
  110    H    LEU  17           H        LEU  17  12.918  -1.101  -1.436
  111    HA   LEU  17           HA       LEU  17  13.548  -1.954   1.284
  112    HB2  LEU  17           HB2      LEU  17  14.821  -2.183  -1.439
  113    HB3  LEU  17           HB3      LEU  17  15.723  -2.665  -0.002
  114    HG   LEU  17           HG       LEU  17  14.671  -4.511  -1.230
  115   HD11  LEU  17          HD21      LEU  17  15.243  -4.707   1.171
  116   HD12  LEU  17          HD22      LEU  17  13.544  -4.355   1.565
  117   HD13  LEU  17          HD23      LEU  17  13.957  -5.812   0.629
  118   HD21  LEU  17          HD11      LEU  17  12.540  -3.472  -1.944
  119   HD22  LEU  17          HD12      LEU  17  12.362  -5.084  -1.209
  120   HD23  LEU  17          HD13      LEU  17  11.948  -3.628  -0.272
  Start of MODEL   24
    1    H1   ASN   1           H1       ASN   1 -12.917   7.912   0.556
    2    H2   ASN   1           H2       ASN   1 -12.105   8.547  -0.731
    3    H3   ASN   1           H3       ASN   1 -13.017   7.186  -0.922
    4    HA   ASN   1           HA       ASN   1 -11.604   5.894   0.403
    5    HB2  ASN   1           HB3      ASN   1 -11.284   6.415  -2.070
    6    HB3  ASN   1           HB2      ASN   1  -9.942   7.455  -1.578
    7   HD21  ASN   1          HD21      ASN   1  -7.635   4.807  -1.676
    8   HD22  ASN   1          HD22      ASN   1  -7.971   6.515  -1.850
    9    H    VAL   2           H        VAL   2 -11.473   8.840   1.602
   10    HA   VAL   2           HA       VAL   2  -8.758   9.029   2.602
   11    HB   VAL   2           HB       VAL   2 -11.207  10.589   3.433
   12   HG11  VAL   2          HG21      VAL   2  -9.419  10.657   5.172
   13   HG12  VAL   2          HG22      VAL   2  -9.750  12.242   4.434
   14   HG13  VAL   2          HG23      VAL   2  -8.302  11.323   3.956
   15   HG21  VAL   2          HG11      VAL   2 -10.589  10.964   1.043
   16   HG22  VAL   2          HG12      VAL   2 -10.424  12.420   2.053
   17   HG23  VAL   2          HG13      VAL   2  -8.977  11.500   1.575
   18    H    HIS   3           H        HIS   3 -11.872   8.341   4.299
   19    HA   HIS   3           HA       HIS   3 -10.671   7.466   6.737
   20    HB2  HIS   3           HB3      HIS   3 -13.089   8.280   6.161
   21    HB3  HIS   3           HB2      HIS   3 -13.404   6.556   5.876
   22    HD1  HIS   3           HD1      HIS   3 -12.032   8.841   8.775
   23    HD2  HIS   3           HD2      HIS   3 -13.910   5.068   7.963
   24    HE1  HIS   3           HE1      HIS   3 -12.657   7.654  10.973
   25    H    THR   4           H        THR   4 -11.880   5.526   3.993
   26    HA   THR   4           HA       THR   4 -11.196   2.978   5.202
   27    HB   THR   4           HB       THR   4 -11.836   2.106   2.904
   28    HG1  THR   4           HG1      THR   4 -12.697   4.771   2.458
   29   HG21  THR   4          HG21      THR   4 -14.253   2.487   3.141
   30   HG22  THR   4          HG22      THR   4 -13.932   3.765   4.338
   31   HG23  THR   4          HG23      THR   4 -13.488   2.079   4.695
   32    H    PHE   5           H        PHE   5 -10.068   4.275   2.044
   33    HA   PHE   5           HA       PHE   5  -8.082   4.335   0.988
   34    HB2  PHE   5           HB3      PHE   5  -7.310   5.384   3.185
   35    HB3  PHE   5           HB2      PHE   5  -6.550   3.827   3.518
   36    HD1  PHE   5           HD1      PHE   5  -6.495   6.804   1.333
   37    HD2  PHE   5           HD2      PHE   5  -4.435   3.265   2.658
   38    HE1  PHE   5           HE1      PHE   5  -4.353   7.749   0.510
   39    HE2  PHE   5           HE2      PHE   5  -2.285   4.220   1.863
   40    HZ   PHE   5           HZ       PHE   5  -2.249   6.494   0.815
   41    H    ARG   6           H        ARG   6  -6.863   3.101  -0.242
   42    HA   ARG   6           HA       ARG   6  -7.097   0.185   0.032
   43    HB2  ARG   6           HB2      ARG   6  -7.279   1.925  -2.064
   44    HB3  ARG   6           HB3      ARG   6  -5.618   1.357  -2.261
   45    HG2  ARG   6           HG3      ARG   6  -8.054  -0.461  -2.107
   46    HG3  ARG   6           HG2      ARG   6  -7.329   0.121  -3.613
   47    HD2  ARG   6           HD3      ARG   6  -5.207  -1.046  -3.034
   48    HD3  ARG   6           HD2      ARG   6  -5.968  -1.661  -1.554
   49    HE   ARG   6           HE       ARG   6  -6.491  -2.557  -4.328
   50   HH11  ARG   6          HH11      ARG   6  -7.482  -2.861  -0.884
   51   HH12  ARG   6          HH12      ARG   6  -8.327  -4.361  -1.194
   52   HH21  ARG   6          HH21      ARG   6  -8.380  -5.241  -3.252
   53   HH22  ARG   6          HH22      ARG   6  -7.583  -4.454  -4.595
   54    H    GLY   7           H        GLY   7  -4.313   2.183  -0.987
   55    HA2  GLY   7           HA3      GLY   7  -2.533   1.881   1.107
   56    HA3  GLY   7           HA2      GLY   7  -2.360   0.373   0.194
   57    H    ILE   8           H        ILE   8  -2.690   3.846  -0.658
   58    HA   ILE   8           HA       ILE   8  -0.797   3.700  -2.854
   59    HB   ILE   8           HB       ILE   8  -2.125   6.043  -1.459
   60   HG12  ILE   8          HG13      ILE   8  -3.400   5.918  -3.860
   61   HG13  ILE   8          HG12      ILE   8  -3.107   4.199  -3.564
   62   HG21  ILE   8          HG21      ILE   8  -0.101   6.731  -2.718
   63   HG22  ILE   8          HG22      ILE   8  -0.821   6.055  -4.199
   64   HG23  ILE   8          HG23      ILE   8  -1.603   7.425  -3.374
   65   HD11  ILE   8          HD11      ILE   8  -5.332   4.866  -2.757
   66   HD12  ILE   8          HD12      ILE   8  -4.298   4.346  -1.405
   67   HD13  ILE   8          HD13      ILE   8  -4.593   6.078  -1.686
   68    H    ASN   9           H        ASN   9  -0.742   5.436   0.279
   69    HA   ASN   9           HA       ASN   9   2.031   6.101   0.275
   70    HB2  ASN   9           HB2      ASN   9   0.053   7.119   1.539
   71    HB3  ASN   9           HB3      ASN   9   0.334   5.868   2.749
   72   HD21  ASN   9          HD21      ASN   9   2.088   8.767   4.136
   73   HD22  ASN   9          HD22      ASN   9   0.465   8.139   3.961
   74    H    GLY  10           H        GLY  10   0.357   3.358   1.939
   75    HA2  GLY  10           HA2      GLY  10   2.600   2.303   3.336
   76    HA3  GLY  10           HA3      GLY  10   1.210   1.352   2.773
   77    H    HIS  11           H        HIS  11   1.388   1.106   0.075
   78    HA   HIS  11           HA       HIS  11   3.580  -0.585  -0.470
   79    HB2  HIS  11           HB2      HIS  11   1.638   0.918  -2.213
   80    HB3  HIS  11           HB3      HIS  11   2.949  -0.019  -2.947
   81    HD1  HIS  11           HD1      HIS  11  -0.225  -0.626  -0.672
   82    HD2  HIS  11           HD2      HIS  11   2.676  -2.582  -3.140
   83    HE1  HIS  11           HE1      HIS  11  -0.852  -3.100  -1.002
   84    H    ASN  12           H        ASN  12   3.461   3.031  -0.888
   85    HA   ASN  12           HA       ASN  12   5.976   3.011  -2.330
   86    HB2  ASN  12           HB3      ASN  12   4.352   4.881  -2.493
   87    HB3  ASN  12           HB2      ASN  12   4.816   5.376  -0.857
   88   HD21  ASN  12          HD21      ASN  12   7.274   6.234  -4.061
   89   HD22  ASN  12          HD22      ASN  12   5.906   5.159  -4.246
   90    H    SER  13           H        SER  13   5.140   3.125   1.115
   91    HA   SER  13           HA       SER  13   7.720   3.421   2.305
   92    HB2  SER  13           HB3      SER  13   5.287   3.513   3.306
   93    HB3  SER  13           HB2      SER  13   5.540   1.776   3.592
   94    HG   SER  13           HG       SER  13   6.229   3.081   5.378
   95    H    SER  14           H        SER  14   6.290   0.984   0.675
   96    HA   SER  14           HA       SER  14   6.869  -0.820  -0.521
   97    HB2  SER  14           HB3      SER  14   9.166  -0.266  -0.114
   98    HB3  SER  14           HB2      SER  14   9.094  -1.116   1.435
   99    HG   SER  14           HG       SER  14  10.034  -2.388  -0.229
  100    H    SER  15           H        SER  15   4.964  -0.410   1.052
  101    HA   SER  15           HA       SER  15   3.301  -1.110   2.265
  102    HB2  SER  15           HB2      SER  15   3.035  -2.355   0.423
  103    HB3  SER  15           HB3      SER  15   4.354  -3.470   0.824
  104    HG   SER  15           HG       SER  15   2.274  -4.413   1.116
  105    H    SER  16           H        SER  16   5.523  -0.163   3.464
  106    HA   SER  16           HA       SER  16   6.076  -1.754   5.904
  107    HB2  SER  16           HB3      SER  16   7.297   0.685   4.574
  108    HB3  SER  16           HB2      SER  16   7.675   0.293   6.266
  109    HG   SER  16           HG       SER  16   9.163  -0.670   4.778
  110    H    LEU  17           H        LEU  17   4.668  -1.591   7.524
  111    HA   LEU  17           HA       LEU  17   2.853   0.670   7.861
  112    HB2  LEU  17           HB2      LEU  17   3.389  -1.939   9.275
  113    HB3  LEU  17           HB3      LEU  17   2.309  -0.745   9.999
  114    HG   LEU  17           HG       LEU  17   1.180  -2.561   8.802
  115   HD11  LEU  17          HD11      LEU  17   0.098  -0.363   9.163
  116   HD12  LEU  17          HD12      LEU  17   0.540   0.084   7.497
  117   HD13  LEU  17          HD13      LEU  17  -0.555  -1.290   7.790
  118   HD21  LEU  17          HD21      LEU  17   2.706  -2.926   6.888
  119   HD22  LEU  17          HD22      LEU  17   0.985  -2.804   6.447
  120   HD23  LEU  17          HD23      LEU  17   2.079  -1.430   6.153
  Start of MODEL   25
    1    H1   ASN   1           H1       ASN   1  -8.733   0.759   6.636
    2    H2   ASN   1           H2       ASN   1  -9.998   1.375   7.496
    3    H3   ASN   1           H3       ASN   1  -9.932   1.585   5.861
    4    HA   ASN   1           HA       ASN   1 -10.281  -0.951   7.293
    5    HB2  ASN   1           HB2      ASN   1 -12.182   0.774   7.161
    6    HB3  ASN   1           HB3      ASN   1 -12.245   0.420   5.429
    7   HD21  ASN   1          HD21      ASN   1 -14.391  -2.342   5.891
    8   HD22  ASN   1          HD22      ASN   1 -13.758  -1.096   4.840
    9    H    VAL   2           H        VAL   2 -10.720  -2.802   5.972
   10    HA   VAL   2           HA       VAL   2  -8.865  -3.107   3.800
   11    HB   VAL   2           HB       VAL   2 -10.910  -5.074   4.817
   12   HG11  VAL   2          HG21      VAL   2 -10.086  -5.689   2.542
   13   HG12  VAL   2          HG22      VAL   2  -8.427  -5.716   3.185
   14   HG13  VAL   2          HG23      VAL   2  -9.640  -6.863   3.803
   15   HG21  VAL   2          HG11      VAL   2  -9.251  -4.408   6.563
   16   HG22  VAL   2          HG12      VAL   2  -9.160  -6.128   6.112
   17   HG23  VAL   2          HG13      VAL   2  -7.947  -4.981   5.494
   18    H    HIS   3           H        HIS   3 -12.475  -3.147   3.729
   19    HA   HIS   3           HA       HIS   3 -12.738  -3.617   0.942
   20    HB2  HIS   3           HB3      HIS   3 -14.428  -3.763   2.937
   21    HB3  HIS   3           HB2      HIS   3 -14.819  -2.093   2.477
   22    HD1  HIS   3           HD1      HIS   3 -17.289  -2.797   1.482
   23    HD2  HIS   3           HD2      HIS   3 -13.818  -4.662  -0.223
   24    HE1  HIS   3           HE1      HIS   3 -17.905  -4.030  -0.692
   25    H    THR   4           H        THR   4 -12.748  -0.475   2.641
   26    HA   THR   4           HA       THR   4 -13.115   1.046   0.184
   27    HB   THR   4           HB       THR   4 -12.810   3.017   1.756
   28    HG1  THR   4           HG1      THR   4 -11.689   1.847   3.412
   29   HG21  THR   4          HG21      THR   4 -15.000   2.813   2.852
   30   HG22  THR   4          HG22      THR   4 -15.042   1.082   2.442
   31   HG23  THR   4          HG23      THR   4 -15.059   2.304   1.148
   32    H    PHE   5           H        PHE   5 -10.502   1.256   2.657
   33    HA   PHE   5           HA       PHE   5  -8.621   2.400   0.735
   34    HB2  PHE   5           HB3      PHE   5  -8.241   1.527   3.625
   35    HB3  PHE   5           HB2      PHE   5  -7.011   2.325   2.644
   36    HD1  PHE   5           HD1      PHE   5  -6.921   4.720   2.516
   37    HD2  PHE   5           HD2      PHE   5 -10.381   2.793   4.224
   38    HE1  PHE   5           HE1      PHE   5  -7.735   6.899   3.365
   39    HE2  PHE   5           HE2      PHE   5 -11.209   4.989   5.029
   40    HZ   PHE   5           HZ       PHE   5  -9.872   7.037   4.612
   41    H    ARG   6           H        ARG   6  -7.176   1.398  -0.492
   42    HA   ARG   6           HA       ARG   6  -6.915  -1.531  -0.425
   43    HB2  ARG   6           HB3      ARG   6  -7.068   0.367  -2.419
   44    HB3  ARG   6           HB2      ARG   6  -5.333   0.038  -2.370
   45    HG2  ARG   6           HG2      ARG   6  -6.135  -1.401  -4.025
   46    HG3  ARG   6           HG3      ARG   6  -5.936  -2.446  -2.612
   47    HD2  ARG   6           HD2      ARG   6  -8.373  -2.354  -2.190
   48    HD3  ARG   6           HD3      ARG   6  -8.582  -1.270  -3.578
   49    HE   ARG   6           HE       ARG   6  -8.261  -3.093  -5.055
   50   HH11  ARG   6          HH11      ARG   6  -7.787  -4.250  -1.682
   51   HH12  ARG   6          HH12      ARG   6  -7.873  -5.925  -2.178
   52   HH21  ARG   6          HH21      ARG   6  -8.357  -5.239  -5.556
   53   HH22  ARG   6          HH22      ARG   6  -8.190  -6.470  -4.324
   54    H    GLY   7           H        GLY   7  -4.395   0.901  -1.048
   55    HA2  GLY   7           HA3      GLY   7  -2.814   0.851   1.209
   56    HA3  GLY   7           HA2      GLY   7  -2.345  -0.636   0.364
   57    H    ILE   8           H        ILE   8  -2.995   2.797  -0.447
   58    HA   ILE   8           HA       ILE   8  -1.064   2.930  -2.599
   59    HB   ILE   8           HB       ILE   8  -2.544   5.096  -1.082
   60   HG12  ILE   8          HG13      ILE   8  -3.827   5.033  -3.473
   61   HG13  ILE   8          HG12      ILE   8  -3.414   3.323  -3.302
   62   HG21  ILE   8          HG21      ILE   8  -0.570   5.969  -2.306
   63   HG22  ILE   8          HG22      ILE   8  -2.114   6.605  -2.921
   64   HG23  ILE   8          HG23      ILE   8  -1.255   5.332  -3.820
   65   HD11  ILE   8          HD11      ILE   8  -5.676   3.775  -2.450
   66   HD12  ILE   8          HD12      ILE   8  -5.018   4.956  -1.294
   67   HD13  ILE   8          HD13      ILE   8  -4.604   3.232  -1.139
   68    H    ASN   9           H        ASN   9  -1.146   4.501   0.615
   69    HA   ASN   9           HA       ASN   9   1.578   5.343   0.682
   70    HB2  ASN   9           HB2      ASN   9  -0.471   6.157   1.975
   71    HB3  ASN   9           HB3      ASN   9  -0.128   4.857   3.115
   72   HD21  ASN   9          HD21      ASN   9  -0.155   7.054   4.460
   73   HD22  ASN   9          HD22      ASN   9   1.422   7.771   4.699
   74    H    GLY  10           H        GLY  10   0.073   2.434   2.184
   75    HA2  GLY  10           HA2      GLY  10   2.250   1.396   3.610
   76    HA3  GLY  10           HA3      GLY  10   0.994   0.410   2.846
   77    H    HIS  11           H        HIS  11   1.458   0.568   0.185
   78    HA   HIS  11           HA       HIS  11   3.829  -1.005  -0.276
   79    HB2  HIS  11           HB3      HIS  11   1.729   0.276  -2.048
   80    HB3  HIS  11           HB2      HIS  11   3.128  -0.557  -2.741
   81    HD1  HIS  11           HD1      HIS  11  -0.044  -1.405  -0.564
   82    HD2  HIS  11           HD2      HIS  11   3.084  -3.131  -2.925
   83    HE1  HIS  11           HE1      HIS  11  -0.507  -3.904  -0.977
   84    H    ASN  12           H        ASN  12   3.123   2.504  -0.837
   85    HA   ASN  12           HA       ASN  12   5.427   3.132  -2.366
   86    HB2  ASN  12           HB3      ASN  12   3.388   4.537  -2.063
   87    HB3  ASN  12           HB2      ASN  12   3.947   4.940  -0.435
   88   HD21  ASN  12          HD21      ASN  12   4.624   5.395  -3.924
   89   HD22  ASN  12          HD22      ASN  12   5.624   6.815  -3.717
   90    H    SER  13           H        SER  13   5.200   2.775   1.191
   91    HA   SER  13           HA       SER  13   8.022   3.600   1.490
   92    HB2  SER  13           HB3      SER  13   5.706   3.442   3.404
   93    HB3  SER  13           HB2      SER  13   7.371   3.373   4.026
   94    HG   SER  13           HG       SER  13   6.565   5.539   3.884
   95    H    SER  14           H        SER  14   5.965   0.682   2.313
   96    HA   SER  14           HA       SER  14   8.258  -0.718   3.327
   97    HB2  SER  14           HB3      SER  14   5.998  -1.241   4.084
   98    HB3  SER  14           HB2      SER  14   5.676  -2.013   2.517
   99    HG   SER  14           HG       SER  14   6.394  -3.519   4.118
  100    H    SER  15           H        SER  15   6.711  -0.952   0.075
  101    HA   SER  15           HA       SER  15   8.663  -2.839  -0.911
  102    HB2  SER  15           HB3      SER  15   6.368  -2.361  -1.873
  103    HB3  SER  15           HB2      SER  15   7.035  -0.853  -2.537
  104    HG   SER  15           HG       SER  15   7.125  -2.604  -4.046
  105    H    SER  16           H        SER  16   9.040   0.596  -0.239
  106    HA   SER  16           HA       SER  16  11.224   0.987  -2.189
  107    HB2  SER  16           HB3      SER  16   9.567   2.795  -1.742
  108    HB3  SER  16           HB2      SER  16  10.104   2.848  -0.047
  109    HG   SER  16           HG       SER  16  11.155   4.434  -1.362
  110    H    LEU  17           H        LEU  17  13.220   0.323  -1.761
  111    HA   LEU  17           HA       LEU  17  14.084  -0.503   0.903
  112    HB2  LEU  17           HB2      LEU  17  15.275  -0.444  -1.866
  113    HB3  LEU  17           HB3      LEU  17  16.291  -0.827  -0.474
  114    HG   LEU  17           HG       LEU  17  15.487  -2.772  -1.742
  115   HD11  LEU  17          HD11      LEU  17  16.181  -2.945   0.627
  116   HD12  LEU  17          HD12      LEU  17  14.464  -2.884   1.094
  117   HD13  LEU  17          HD13      LEU  17  15.067  -4.225   0.090
  118   HD21  LEU  17          HD21      LEU  17  13.193  -2.064  -2.346
  119   HD22  LEU  17          HD22      LEU  17  13.303  -3.705  -1.666
  120   HD23  LEU  17          HD23      LEU  17  12.700  -2.364  -0.662
  Start of MODEL   26
    1    H1   ASN   1           H1       ASN   1  -7.842  -4.211   4.769
    2    H2   ASN   1           H2       ASN   1  -9.098  -4.773   5.678
    3    H3   ASN   1           H3       ASN   1  -9.295  -3.431   4.741
    4    HA   ASN   1           HA       ASN   1  -8.831  -6.169   3.807
    5    HB2  ASN   1           HB3      ASN   1 -11.107  -5.487   4.797
    6    HB3  ASN   1           HB2      ASN   1 -11.284  -4.441   3.384
    7   HD21  ASN   1          HD21      ASN   1 -11.780  -8.528   2.991
    8   HD22  ASN   1          HD22      ASN   1 -10.991  -7.872   4.408
    9    H    VAL   2           H        VAL   2  -8.944  -6.501   1.530
   10    HA   VAL   2           HA       VAL   2  -7.382  -4.629   0.017
   11    HB   VAL   2           HB       VAL   2  -8.730  -7.153  -0.933
   12   HG11  VAL   2          HG11      VAL   2  -8.088  -5.674  -2.840
   13   HG12  VAL   2          HG12      VAL   2  -6.403  -5.724  -2.268
   14   HG13  VAL   2          HG13      VAL   2  -7.205  -7.218  -2.808
   15   HG21  VAL   2          HG21      VAL   2  -7.070  -7.565   0.887
   16   HG22  VAL   2          HG22      VAL   2  -6.621  -8.304  -0.669
   17   HG23  VAL   2          HG23      VAL   2  -5.818  -6.809  -0.129
   18    H    HIS   3           H        HIS   3 -10.854  -5.529  -0.366
   19    HA   HIS   3           HA       HIS   3 -11.376  -3.893  -2.626
   20    HB2  HIS   3           HB3      HIS   3 -12.700  -5.858  -1.520
   21    HB3  HIS   3           HB2      HIS   3 -13.522  -4.558  -0.632
   22    HD1  HIS   3           HD1      HIS   3 -12.823  -5.564  -4.374
   23    HD2  HIS   3           HD2      HIS   3 -15.460  -3.302  -1.855
   24    HE1  HIS   3           HE1      HIS   3 -14.789  -4.623  -5.745
   25    H    THR   4           H        THR   4 -11.892  -3.099   0.818
   26    HA   THR   4           HA       THR   4 -12.915  -0.437   0.228
   27    HB   THR   4           HB       THR   4 -12.875  -0.228   2.760
   28    HG1  THR   4           HG1      THR   4 -12.627  -2.131   3.940
   29   HG21  THR   4          HG21      THR   4 -14.800  -1.702   3.166
   30   HG22  THR   4          HG22      THR   4 -14.492  -2.528   1.621
   31   HG23  THR   4          HG23      THR   4 -14.957  -0.810   1.634
   32    H    PHE   5           H        PHE   5 -10.128  -1.432   2.287
   33    HA   PHE   5           HA       PHE   5  -8.820   1.163   1.969
   34    HB2  PHE   5           HB3      PHE   5  -7.888  -1.394   3.332
   35    HB3  PHE   5           HB2      PHE   5  -7.010   0.136   3.352
   36    HD1  PHE   5           HD1      PHE   5 -10.236  -1.477   4.371
   37    HD2  PHE   5           HD2      PHE   5  -7.402   1.676   5.131
   38    HE1  PHE   5           HE1      PHE   5 -11.405  -0.942   6.509
   39    HE2  PHE   5           HE2      PHE   5  -8.554   2.187   7.264
   40    HZ   PHE   5           HZ       PHE   5 -10.546   0.885   7.953
   41    H    ARG   6           H        ARG   6  -7.370   1.757   0.508
   42    HA   ARG   6           HA       ARG   6  -6.412  -0.143  -1.526
   43    HB2  ARG   6           HB3      ARG   6  -7.311   2.465  -1.571
   44    HB3  ARG   6           HB2      ARG   6  -5.561   2.682  -1.659
   45    HG2  ARG   6           HG2      ARG   6  -6.256   2.674  -3.892
   46    HG3  ARG   6           HG3      ARG   6  -5.590   1.054  -3.638
   47    HD2  ARG   6           HD2      ARG   6  -7.888   0.145  -3.415
   48    HD3  ARG   6           HD3      ARG   6  -8.558   1.773  -3.655
   49    HE   ARG   6           HE       ARG   6  -6.847   1.190  -5.856
   50   HH11  ARG   6          HH11      ARG   6  -7.640   0.558  -7.823
   51   HH12  ARG   6          HH12      ARG   6  -9.238  -0.136  -7.978
   52   HH21  ARG   6          HH21      ARG   6 -10.015   0.045  -4.595
   53   HH22  ARG   6          HH22      ARG   6 -10.554  -0.422  -6.192
   54    H    GLY   7           H        GLY   7  -4.738   2.564   0.090
   55    HA2  GLY   7           HA3      GLY   7  -2.799   2.413   1.508
   56    HA3  GLY   7           HA2      GLY   7  -2.465   0.795   0.860
   57    H    ILE   8           H        ILE   8  -2.804   4.164  -0.358
   58    HA   ILE   8           HA       ILE   8  -0.979   3.843  -2.563
   59    HB   ILE   8           HB       ILE   8  -2.054   6.328  -1.204
   60   HG12  ILE   8          HG13      ILE   8  -3.472   6.228  -3.513
   61   HG13  ILE   8          HG12      ILE   8  -3.289   4.499  -3.191
   62   HG21  ILE   8          HG21      ILE   8  -0.054   6.794  -2.596
   63   HG22  ILE   8          HG22      ILE   8  -0.908   6.123  -4.006
   64   HG23  ILE   8          HG23      ILE   8  -1.530   7.584  -3.201
   65   HD11  ILE   8          HD11      ILE   8  -5.302   6.101  -2.190
   66   HD12  ILE   8          HD12      ILE   8  -4.812   4.524  -1.525
   67   HD13  ILE   8          HD13      ILE   8  -4.162   6.025  -0.823
   68    H    ASN   9           H        ASN   9  -0.636   5.726   0.462
   69    HA   ASN   9           HA       ASN   9   2.154   6.204   0.304
   70    HB2  ASN   9           HB2      ASN   9   0.318   7.339   1.669
   71    HB3  ASN   9           HB3      ASN   9   0.602   6.087   2.879
   72   HD21  ASN   9          HD21      ASN   9   0.925   8.357   4.053
   73   HD22  ASN   9          HD22      ASN   9   2.586   8.900   4.123
   74    H    GLY  10           H        GLY  10   0.459   3.586   2.134
   75    HA2  GLY  10           HA2      GLY  10   2.756   2.415   3.354
   76    HA3  GLY  10           HA3      GLY  10   1.258   1.550   2.955
   77    H    HIS  11           H        HIS  11   1.183   1.357   0.203
   78    HA   HIS  11           HA       HIS  11   3.113  -0.566  -0.533
   79    HB2  HIS  11           HB3      HIS  11   1.401   1.312  -2.197
   80    HB3  HIS  11           HB2      HIS  11   2.392   0.044  -2.902
   81    HD1  HIS  11           HD1      HIS  11  -0.310  -0.421  -3.913
   82    HD2  HIS  11           HD2      HIS  11   0.794  -1.404   0.100
   83    HE1  HIS  11           HE1      HIS  11  -2.100  -1.932  -2.838
   84    H    ASN  12           H        ASN  12   3.361   3.063  -0.894
   85    HA   ASN  12           HA       ASN  12   5.776   2.819  -2.483
   86    HB2  ASN  12           HB3      ASN  12   4.606   5.202  -1.060
   87    HB3  ASN  12           HB2      ASN  12   6.207   5.252  -1.814
   88   HD21  ASN  12          HD21      ASN  12   2.973   5.898  -4.138
   89   HD22  ASN  12          HD22      ASN  12   2.933   5.928  -2.390
   90    H    SER  13           H        SER  13   5.128   2.958   1.007
   91    HA   SER  13           HA       SER  13   7.844   2.949   1.989
   92    HB2  SER  13           HB3      SER  13   5.487   3.380   3.169
   93    HB3  SER  13           HB2      SER  13   5.639   1.652   3.559
   94    HG   SER  13           HG       SER  13   6.601   3.013   5.163
   95    H    SER  14           H        SER  14   6.206   0.810   0.289
   96    HA   SER  14           HA       SER  14   6.412  -1.108  -0.780
   97    HB2  SER  14           HB3      SER  14   8.749  -0.708  -0.570
   98    HB3  SER  14           HB2      SER  14   8.759  -1.525   1.001
   99    HG   SER  14           HG       SER  14   9.476  -2.881  -0.706
  100    H    SER  15           H        SER  15   4.674  -0.551   0.901
  101    HA   SER  15           HA       SER  15   3.025  -1.116   2.195
  102    HB2  SER  15           HB2      SER  15   2.556  -2.327   0.369
  103    HB3  SER  15           HB3      SER  15   3.795  -3.551   0.699
  104    HG   SER  15           HG       SER  15   1.662  -4.315   1.111
  105    H    SER  16           H        SER  16   5.415  -0.395   3.312
  106    HA   SER  16           HA       SER  16   5.917  -2.134   5.647
  107    HB2  SER  16           HB3      SER  16   7.803  -1.035   4.407
  108    HB3  SER  16           HB2      SER  16   7.196   0.541   4.962
  109    HG   SER  16           HG       SER  16   8.841  -0.316   6.348
  110    H    LEU  17           H        LEU  17   4.741  -2.008   7.436
  111    HA   LEU  17           HA       LEU  17   2.901   0.198   7.964
  112    HB2  LEU  17           HB2      LEU  17   3.628  -2.415   9.278
  113    HB3  LEU  17           HB3      LEU  17   2.598  -1.260  10.127
  114    HG   LEU  17           HG       LEU  17   1.407  -3.089   8.996
  115   HD11  LEU  17          HD11      LEU  17   0.309  -0.940   9.540
  116   HD12  LEU  17          HD12      LEU  17   0.564  -0.427   7.856
  117   HD13  LEU  17          HD13      LEU  17  -0.457  -1.842   8.211
  118   HD21  LEU  17          HD21      LEU  17   2.737  -3.347   6.926
  119   HD22  LEU  17          HD22      LEU  17   1.998  -1.849   6.311
  120   HD23  LEU  17          HD23      LEU  17   0.979  -3.264   6.665
  Start of MODEL   27
    1    H1   ASN   1           H1       ASN   1 -15.133   0.610   3.166
    2    H2   ASN   1           H2       ASN   1 -15.341   1.125   1.614
    3    H3   ASN   1           H3       ASN   1 -15.051   2.219   2.813
    4    HA   ASN   1           HA       ASN   1 -13.216   0.192   1.764
    5    HB2  ASN   1           HB3      ASN   1 -13.851   2.291   0.460
    6    HB3  ASN   1           HB2      ASN   1 -12.952   3.198   1.682
    7   HD21  ASN   1          HD21      ASN   1 -10.994   3.836   0.895
    8   HD22  ASN   1          HD22      ASN   1  -9.950   2.867  -0.120
    9    H    VAL   2           H        VAL   2 -13.957   1.047   4.702
   10    HA   VAL   2           HA       VAL   2 -11.431   1.875   5.858
   11    HB   VAL   2           HB       VAL   2 -13.919   0.866   7.239
   12   HG11  VAL   2          HG11      VAL   2 -11.900   0.658   8.684
   13   HG12  VAL   2          HG12      VAL   2 -11.627   2.407   8.502
   14   HG13  VAL   2          HG13      VAL   2 -13.101   1.815   9.306
   15   HG21  VAL   2          HG21      VAL   2 -14.307   2.992   5.990
   16   HG22  VAL   2          HG22      VAL   2 -14.490   3.161   7.753
   17   HG23  VAL   2          HG23      VAL   2 -13.016   3.755   6.949
   18    H    HIS   3           H        HIS   3 -13.237  -1.245   6.059
   19    HA   HIS   3           HA       HIS   3 -11.067  -2.726   7.206
   20    HB2  HIS   3           HB3      HIS   3 -13.651  -3.147   7.173
   21    HB3  HIS   3           HB2      HIS   3 -13.298  -4.043   5.681
   22    HD1  HIS   3           HD1      HIS   3 -12.154  -4.052   9.449
   23    HD2  HIS   3           HD2      HIS   3 -12.416  -6.493   5.927
   24    HE1  HIS   3           HE1      HIS   3 -11.471  -6.478   9.980
   25    H    THR   4           H        THR   4 -12.209  -2.579   3.820
   26    HA   THR   4           HA       THR   4 -10.245  -4.411   2.780
   27    HB   THR   4           HB       THR   4 -11.065  -3.496   0.552
   28    HG1  THR   4           HG1      THR   4 -13.000  -2.180   2.155
   29   HG21  THR   4          HG21      THR   4 -13.274  -4.571   0.635
   30   HG22  THR   4          HG22      THR   4 -12.024  -5.556   1.432
   31   HG23  THR   4          HG23      THR   4 -13.180  -4.622   2.412
   32    H    PHE   5           H        PHE   5 -10.599  -0.927   1.979
   33    HA   PHE   5           HA       PHE   5  -9.189   0.723   1.501
   34    HB2  PHE   5           HB3      PHE   5  -7.438   1.300   2.902
   35    HB3  PHE   5           HB2      PHE   5  -8.656   0.470   3.859
   36    HD1  PHE   5           HD1      PHE   5  -5.283   0.073   2.257
   37    HD2  PHE   5           HD2      PHE   5  -8.017  -1.383   5.253
   38    HE1  PHE   5           HE1      PHE   5  -3.468  -1.298   3.243
   39    HE2  PHE   5           HE2      PHE   5  -6.207  -2.760   6.226
   40    HZ   PHE   5           HZ       PHE   5  -3.931  -2.716   5.234
   41    H    ARG   6           H        ARG   6  -7.533   1.610   0.279
   42    HA   ARG   6           HA       ARG   6  -6.477  -0.192  -1.771
   43    HB2  ARG   6           HB2      ARG   6  -7.500   2.237  -1.955
   44    HB3  ARG   6           HB3      ARG   6  -5.832   2.741  -1.674
   45    HG2  ARG   6           HG3      ARG   6  -6.743   0.936  -3.951
   46    HG3  ARG   6           HG2      ARG   6  -6.494   2.685  -4.079
   47    HD2  ARG   6           HD3      ARG   6  -4.074   2.276  -3.351
   48    HD3  ARG   6           HD2      ARG   6  -4.395   0.545  -3.577
   49    HE   ARG   6           HE       ARG   6  -5.184   1.682  -5.980
   50   HH11  ARG   6          HH11      ARG   6  -3.896   1.908  -7.764
   51   HH12  ARG   6          HH12      ARG   6  -2.155   2.010  -7.621
   52   HH21  ARG   6          HH21      ARG   6  -1.148   1.917  -5.623
   53   HH22  ARG   6          HH22      ARG   6  -2.083   1.739  -4.155
   54    H    GLY   7           H        GLY   7  -4.831   2.441  -0.029
   55    HA2  GLY   7           HA3      GLY   7  -2.903   2.272   1.373
   56    HA3  GLY   7           HA2      GLY   7  -2.577   0.658   0.719
   57    H    ILE   8           H        ILE   8  -2.860   4.025  -0.514
   58    HA   ILE   8           HA       ILE   8  -0.909   3.696  -2.624
   59    HB   ILE   8           HB       ILE   8  -2.114   6.183  -1.377
   60   HG12  ILE   8          HG13      ILE   8  -3.365   6.024  -3.781
   61   HG13  ILE   8          HG12      ILE   8  -3.186   4.305  -3.407
   62   HG21  ILE   8          HG21      ILE   8  -0.036   6.669  -2.643
   63   HG22  ILE   8          HG22      ILE   8  -0.785   5.966  -4.096
   64   HG23  ILE   8          HG23      ILE   8  -1.483   7.424  -3.352
   65   HD11  ILE   8          HD11      ILE   8  -5.374   5.145  -2.667
   66   HD12  ILE   8          HD12      ILE   8  -4.393   4.621  -1.277
   67   HD13  ILE   8          HD13      ILE   8  -4.574   6.355  -1.636
   68    H    ASN   9           H        ASN   9  -0.819   5.611   0.402
   69    HA   ASN   9           HA       ASN   9   1.968   6.172   0.425
   70    HB2  ASN   9           HB2      ASN   9   0.019   7.294   1.630
   71    HB3  ASN   9           HB3      ASN   9   0.224   6.065   2.877
   72   HD21  ASN   9          HD21      ASN   9   2.065   8.926   4.230
   73   HD22  ASN   9          HD22      ASN   9   0.422   8.358   4.036
   74    H    GLY  10           H        GLY  10   0.193   3.573   2.177
   75    HA2  GLY  10           HA2      GLY  10   2.314   2.450   3.653
   76    HA3  GLY  10           HA3      GLY  10   0.919   1.545   3.045
   77    H    HIS  11           H        HIS  11   1.305   1.468   0.316
   78    HA   HIS  11           HA       HIS  11   3.416  -0.453  -0.063
   79    HB2  HIS  11           HB3      HIS  11   1.417   0.960  -1.820
   80    HB3  HIS  11           HB2      HIS  11   2.757   0.085  -2.580
   81    HD1  HIS  11           HD1      HIS  11   2.425  -2.612  -2.791
   82    HD2  HIS  11           HD2      HIS  11  -0.169  -0.470  -0.152
   83    HE1  HIS  11           HE1      HIS  11   0.572  -4.170  -1.898
   84    H    ASN  12           H        ASN  12   3.235   3.079  -0.816
   85    HA   ASN  12           HA       ASN  12   5.548   3.312  -2.415
   86    HB2  ASN  12           HB3      ASN  12   3.715   4.994  -2.022
   87    HB3  ASN  12           HB2      ASN  12   4.495   5.394  -0.486
   88   HD21  ASN  12          HD21      ASN  12   6.155   6.925  -0.476
   89   HD22  ASN  12          HD22      ASN  12   6.840   7.620  -1.927
   90    H    SER  13           H        SER  13   5.490   2.925   1.134
   91    HA   SER  13           HA       SER  13   8.447   3.218   1.150
   92    HB2  SER  13           HB3      SER  13   6.395   4.273   2.994
   93    HB3  SER  13           HB2      SER  13   7.807   3.537   3.785
   94    HG   SER  13           HG       SER  13   8.133   5.775   3.287
   95    H    SER  14           H        SER  14   5.784   1.069   2.406
   96    HA   SER  14           HA       SER  14   7.673  -0.646   3.737
   97    HB2  SER  14           HB3      SER  14   5.347  -0.474   4.460
   98    HB3  SER  14           HB2      SER  14   4.849  -1.369   3.009
   99    HG   SER  14           HG       SER  14   5.143  -2.747   4.844
  100    H    SER  15           H        SER  15   6.155  -0.968   0.487
  101    HA   SER  15           HA       SER  15   7.516  -3.444  -0.122
  102    HB2  SER  15           HB3      SER  15   6.391  -1.339  -2.011
  103    HB3  SER  15           HB2      SER  15   6.837  -3.001  -2.446
  104    HG   SER  15           HG       SER  15   4.576  -2.767  -2.043
  105    H    SER  16           H        SER  16   8.907  -0.273   0.179
  106    HA   SER  16           HA       SER  16  10.893  -0.505  -1.955
  107    HB2  SER  16           HB3      SER  16  10.689   1.422   0.398
  108    HB3  SER  16           HB2      SER  16  11.847   1.556  -0.942
  109    HG   SER  16           HG       SER  16   9.961   2.853  -1.267
  110    H    LEU  17           H        LEU  17  12.758  -1.581  -1.894
  111    HA   LEU  17           HA       LEU  17  13.611  -3.028   0.463
  112    HB2  LEU  17           HB2      LEU  17  14.543  -2.765  -2.371
  113    HB3  LEU  17           HB3      LEU  17  15.578  -3.573  -1.191
  114    HG   LEU  17           HG       LEU  17  14.198  -5.057  -2.607
  115   HD11  LEU  17          HD21      LEU  17  15.136  -5.786  -0.435
  116   HD12  LEU  17          HD22      LEU  17  13.692  -6.689  -0.950
  117   HD13  LEU  17          HD23      LEU  17  13.560  -5.447   0.318
  118   HD21  LEU  17          HD11      LEU  17  12.071  -3.792  -2.706
  119   HD22  LEU  17          HD12      LEU  17  11.883  -5.513  -2.291
  120   HD23  LEU  17          HD13      LEU  17  11.752  -4.271  -1.022
  Start of MODEL   28
    1    H1   ASN   1           H1       ASN   1  -9.145   6.787  -2.700
    2    H2   ASN   1           H2       ASN   1 -10.398   5.902  -3.304
    3    H3   ASN   1           H3       ASN   1  -9.526   5.330  -2.027
    4    HA   ASN   1           HA       ASN   1 -11.270   7.688  -2.046
    5    HB2  ASN   1           HB3      ASN   1 -12.254   5.313  -2.098
    6    HB3  ASN   1           HB2      ASN   1 -11.591   5.118  -0.471
    7   HD21  ASN   1          HD21      ASN   1 -14.004   6.924  -2.409
    8   HD22  ASN   1          HD22      ASN   1 -15.010   7.369  -1.049
    9    H    VAL   2           H        VAL   2 -11.611   8.707   0.013
   10    HA   VAL   2           HA       VAL   2  -9.131   8.979   1.540
   11    HB   VAL   2           HB       VAL   2 -11.655  10.619   1.721
   12   HG11  VAL   2          HG21      VAL   2 -10.320  10.739   3.826
   13   HG12  VAL   2          HG22      VAL   2  -8.934  11.326   2.878
   14   HG13  VAL   2          HG23      VAL   2 -10.426  12.293   2.963
   15   HG21  VAL   2          HG11      VAL   2 -10.483  10.873  -0.469
   16   HG22  VAL   2          HG12      VAL   2  -9.027  11.403   0.407
   17   HG23  VAL   2          HG13      VAL   2 -10.520  12.369   0.493
   18    H    HIS   3           H        HIS   3 -12.557   8.381   2.565
   19    HA   HIS   3           HA       HIS   3 -11.914   7.783   5.266
   20    HB2  HIS   3           HB3      HIS   3 -14.160   8.423   4.116
   21    HB3  HIS   3           HB2      HIS   3 -14.369   6.668   3.938
   22    HD1  HIS   3           HD1      HIS   3 -13.715   9.265   6.826
   23    HD2  HIS   3           HD2      HIS   3 -15.265   5.346   6.010
   24    HE1  HIS   3           HE1      HIS   3 -14.768   8.252   8.947
   25    H    THR   4           H        THR   4 -12.473   5.481   2.592
   26    HA   THR   4           HA       THR   4 -11.794   3.179   4.258
   27    HB   THR   4           HB       THR   4 -12.102   1.937   2.043
   28    HG1  THR   4           HG1      THR   4 -11.923   3.805   0.686
   29   HG21  THR   4          HG21      THR   4 -14.557   2.020   2.102
   30   HG22  THR   4          HG22      THR   4 -13.854   1.901   3.733
   31   HG23  THR   4          HG23      THR   4 -14.481   3.460   3.145
   32    H    PHE   5           H        PHE   5 -10.453   4.222   1.074
   33    HA   PHE   5           HA       PHE   5  -8.360   4.334   0.227
   34    HB2  PHE   5           HB2      PHE   5  -7.795   5.546   2.349
   35    HB3  PHE   5           HB3      PHE   5  -7.144   4.032   2.972
   36    HD1  PHE   5           HD1      PHE   5  -6.573   6.905   0.809
   37    HD2  PHE   5           HD2      PHE   5  -5.009   3.161   2.255
   38    HE1  PHE   5           HE1      PHE   5  -4.281   7.665   0.275
   39    HE2  PHE   5           HE2      PHE   5  -2.706   3.945   1.763
   40    HZ   PHE   5           HZ       PHE   5  -2.351   6.222   0.793
   41    H    ARG   6           H        ARG   6  -6.998   3.058  -0.799
   42    HA   ARG   6           HA       ARG   6  -7.261   0.152  -0.432
   43    HB2  ARG   6           HB3      ARG   6  -7.183   1.856  -2.600
   44    HB3  ARG   6           HB2      ARG   6  -5.534   1.223  -2.581
   45    HG2  ARG   6           HG2      ARG   6  -6.668  -0.191  -4.050
   46    HG3  ARG   6           HG3      ARG   6  -6.582  -1.118  -2.545
   47    HD2  ARG   6           HD2      ARG   6  -8.943  -0.530  -2.050
   48    HD3  ARG   6           HD3      ARG   6  -9.024   0.414  -3.554
   49    HE   ARG   6           HE       ARG   6  -8.164  -2.229  -4.199
   50   HH11  ARG   6          HH11      ARG   6 -12.181  -1.863  -3.767
   51   HH12  ARG   6          HH12      ARG   6 -11.172  -0.627  -3.047
   52   HH21  ARG   6          HH21      ARG   6 -11.277  -3.578  -4.882
   53   HH22  ARG   6          HH22      ARG   6  -9.543  -3.728  -5.064
   54    H    GLY   7           H        GLY   7  -4.382   2.012  -1.399
   55    HA2  GLY   7           HA3      GLY   7  -2.783   1.812   0.896
   56    HA3  GLY   7           HA2      GLY   7  -2.535   0.295   0.015
   57    H    ILE   8           H        ILE   8  -2.799   3.764  -0.855
   58    HA   ILE   8           HA       ILE   8  -0.772   3.631  -2.929
   59    HB   ILE   8           HB       ILE   8  -2.175   5.970  -1.604
   60   HG12  ILE   8          HG13      ILE   8  -3.299   5.863  -4.080
   61   HG13  ILE   8          HG12      ILE   8  -3.034   4.141  -3.776
   62   HG21  ILE   8          HG21      ILE   8  -0.073   6.651  -2.731
   63   HG22  ILE   8          HG22      ILE   8  -1.527   7.357  -3.476
   64   HG23  ILE   8          HG23      ILE   8  -0.702   5.987  -4.258
   65   HD11  ILE   8          HD11      ILE   8  -5.301   4.817  -3.104
   66   HD12  ILE   8          HD12      ILE   8  -4.623   6.021  -1.984
   67   HD13  ILE   8          HD13      ILE   8  -4.356   4.286  -1.693
   68    H    ASN   9           H        ASN   9  -0.900   5.364   0.208
   69    HA   ASN   9           HA       ASN   9   1.870   6.000   0.392
   70    HB2  ASN   9           HB2      ASN   9  -0.158   7.019   1.561
   71    HB3  ASN   9           HB3      ASN   9   0.010   5.725   2.747
   72   HD21  ASN   9          HD21      ASN   9   1.713   8.543   4.348
   73   HD22  ASN   9          HD22      ASN   9   0.095   7.956   4.035
   74    H    GLY  10           H        GLY  10   0.071   3.268   1.906
   75    HA2  GLY  10           HA2      GLY  10   2.133   2.116   3.439
   76    HA3  GLY  10           HA3      GLY  10   0.804   1.211   2.697
   77    H    HIS  11           H        HIS  11   1.350   1.295  -0.003
   78    HA   HIS  11           HA       HIS  11   3.538  -0.544  -0.356
   79    HB2  HIS  11           HB3      HIS  11   1.606   0.914  -2.149
   80    HB3  HIS  11           HB2      HIS  11   3.014   0.122  -2.875
   81    HD1  HIS  11           HD1      HIS  11   2.777  -2.568  -3.259
   82    HD2  HIS  11           HD2      HIS  11  -0.035  -0.649  -0.671
   83    HE1  HIS  11           HE1      HIS  11   0.921  -4.223  -2.570
   84    H    ASN  12           H        ASN  12   3.295   3.019  -0.928
   85    HA   ASN  12           HA       ASN  12   5.696   3.400  -2.365
   86    HB2  ASN  12           HB3      ASN  12   3.809   5.015  -2.030
   87    HB3  ASN  12           HB2      ASN  12   4.431   5.333  -0.406
   88   HD21  ASN  12          HD21      ASN  12   5.125   5.734  -3.901
   89   HD22  ASN  12          HD22      ASN  12   6.281   7.030  -3.692
   90    H    SER  13           H        SER  13   5.437   2.800   1.142
   91    HA   SER  13           HA       SER  13   8.375   3.184   1.360
   92    HB2  SER  13           HB3      SER  13   6.185   4.077   3.127
   93    HB3  SER  13           HB2      SER  13   7.566   3.333   3.966
   94    HG   SER  13           HG       SER  13   7.856   5.603   3.616
   95    H    SER  14           H        SER  14   5.712   0.895   2.330
   96    HA   SER  14           HA       SER  14   7.570  -0.844   3.674
   97    HB2  SER  14           HB3      SER  14   5.202  -0.778   4.267
   98    HB3  SER  14           HB2      SER  14   4.816  -1.598   2.740
   99    HG   SER  14           HG       SER  14   5.043  -3.071   4.505
  100    H    SER  15           H        SER  15   6.254  -1.019   0.328
  101    HA   SER  15           HA       SER  15   7.726  -3.418  -0.336
  102    HB2  SER  15           HB3      SER  15   6.642  -1.242  -2.170
  103    HB3  SER  15           HB2      SER  15   7.166  -2.863  -2.669
  104    HG   SER  15           HG       SER  15   4.879  -2.719  -2.387
  105    H    SER  16           H        SER  16   8.994  -0.229   0.221
  106    HA   SER  16           HA       SER  16  11.104  -0.283  -1.803
  107    HB2  SER  16           HB3      SER  16  10.697   1.505   0.634
  108    HB3  SER  16           HB2      SER  16  11.928   1.748  -0.624
  109    HG   SER  16           HG       SER  16  10.021   3.003  -0.992
  110    H    LEU  17           H        LEU  17  12.997  -1.305  -1.685
  111    HA   LEU  17           HA       LEU  17  13.788  -2.828   0.674
  112    HB2  LEU  17           HB2      LEU  17  14.830  -2.406  -2.121
  113    HB3  LEU  17           HB3      LEU  17  15.832  -3.240  -0.931
  114    HG   LEU  17           HG       LEU  17  14.583  -4.696  -2.482
  115   HD11  LEU  17          HD11      LEU  17  15.425  -5.492  -0.294
  116   HD12  LEU  17          HD12      LEU  17  13.796  -5.243   0.380
  117   HD13  LEU  17          HD13      LEU  17  14.047  -6.420  -0.933
  118   HD21  LEU  17          HD21      LEU  17  12.423  -3.500  -2.651
  119   HD22  LEU  17          HD22      LEU  17  12.274  -5.244  -2.325
  120   HD23  LEU  17          HD23      LEU  17  12.023  -4.069  -1.012
  Start of MODEL   29
    1    H1   ASN   1           H1       ASN   1  -8.197  -3.487   5.532
    2    H2   ASN   1           H2       ASN   1  -9.743  -3.527   6.106
    3    H3   ASN   1           H3       ASN   1  -9.299  -2.376   5.011
    4    HA   ASN   1           HA       ASN   1  -9.467  -5.269   4.543
    5    HB2  ASN   1           HB3      ASN   1 -11.590  -3.833   4.796
    6    HB3  ASN   1           HB2      ASN   1 -11.110  -3.052   3.285
    7   HD21  ASN   1          HD21      ASN   1 -12.721  -6.864   3.201
    8   HD22  ASN   1          HD22      ASN   1 -12.099  -6.208   4.699
    9    H    VAL   2           H        VAL   2  -9.166  -5.946   2.350
   10    HA   VAL   2           HA       VAL   2  -6.969  -4.513   1.011
   11    HB   VAL   2           HB       VAL   2  -7.961  -7.327   0.554
   12   HG11  VAL   2          HG11      VAL   2  -6.844  -6.403  -1.477
   13   HG12  VAL   2          HG12      VAL   2  -5.972  -7.774  -0.749
   14   HG13  VAL   2          HG13      VAL   2  -5.383  -6.112  -0.504
   15   HG21  VAL   2          HG21      VAL   2  -6.865  -7.025   2.779
   16   HG22  VAL   2          HG22      VAL   2  -5.984  -8.130   1.699
   17   HG23  VAL   2          HG23      VAL   2  -5.394  -6.470   1.944
   18    H    HIS   3           H        HIS   3 -10.129  -5.928  -0.038
   19    HA   HIS   3           HA       HIS   3 -10.042  -4.968  -2.701
   20    HB2  HIS   3           HB3      HIS   3 -11.521  -6.764  -1.516
   21    HB3  HIS   3           HB2      HIS   3 -12.649  -5.412  -1.279
   22    HD1  HIS   3           HD1      HIS   3 -10.798  -7.205  -4.257
   23    HD2  HIS   3           HD2      HIS   3 -14.187  -4.752  -3.291
   24    HE1  HIS   3           HE1      HIS   3 -12.304  -6.893  -6.322
   25    H    THR   4           H        THR   4 -11.664  -3.436   0.093
   26    HA   THR   4           HA       THR   4 -12.524  -1.135  -1.469
   27    HB   THR   4           HB       THR   4 -13.280  -0.289   0.803
   28    HG1  THR   4           HG1      THR   4 -11.884  -1.644   2.059
   29   HG21  THR   4          HG21      THR   4 -15.205  -1.805   1.002
   30   HG22  THR   4          HG22      THR   4 -14.409  -2.956  -0.097
   31   HG23  THR   4          HG23      THR   4 -14.888  -1.347  -0.689
   32    H    PHE   5           H        PHE   5 -10.468  -1.275   1.502
   33    HA   PHE   5           HA       PHE   5  -9.242   1.301   0.879
   34    HB2  PHE   5           HB3      PHE   5  -8.644  -0.702   3.084
   35    HB3  PHE   5           HB2      PHE   5  -7.870   0.874   2.922
   36    HD1  PHE   5           HD1      PHE   5  -9.053   2.954   3.473
   37    HD2  PHE   5           HD2      PHE   5 -11.023  -0.867   3.849
   38    HE1  PHE   5           HE1      PHE   5 -10.832   3.990   4.849
   39    HE2  PHE   5           HE2      PHE   5 -12.805   0.186   5.218
   40    HZ   PHE   5           HZ       PHE   5 -12.696   2.615   5.724
   41    H    ARG   6           H        ARG   6  -7.475   1.700  -0.274
   42    HA   ARG   6           HA       ARG   6  -5.891  -0.509  -1.382
   43    HB2  ARG   6           HB2      ARG   6  -6.800   1.636  -2.576
   44    HB3  ARG   6           HB3      ARG   6  -5.335   2.396  -1.944
   45    HG2  ARG   6           HG3      ARG   6  -5.210  -0.142  -3.599
   46    HG3  ARG   6           HG2      ARG   6  -5.320   1.455  -4.358
   47    HD2  ARG   6           HD2      ARG   6  -3.226   2.151  -3.270
   48    HD3  ARG   6           HD3      ARG   6  -3.114   0.585  -2.440
   49    HE   ARG   6           HE       ARG   6  -3.252  -0.091  -5.128
   50   HH11  ARG   6          HH11      ARG   6  -1.036   2.070  -3.294
   51   HH12  ARG   6          HH12      ARG   6   0.292   1.738  -4.383
   52   HH21  ARG   6          HH21      ARG   6  -1.489  -0.452  -6.418
   53   HH22  ARG   6          HH22      ARG   6   0.039   0.342  -6.110
   54    H    GLY   7           H        GLY   7  -4.846   2.609  -0.077
   55    HA2  GLY   7           HA3      GLY   7  -3.392   2.969   1.811
   56    HA3  GLY   7           HA2      GLY   7  -2.774   1.309   1.635
   57    H    ILE   8           H        ILE   8  -3.067   4.311  -0.334
   58    HA   ILE   8           HA       ILE   8  -0.967   3.934  -2.157
   59    HB   ILE   8           HB       ILE   8  -2.112   6.475  -0.978
   60   HG12  ILE   8          HG13      ILE   8  -3.278   6.352  -3.419
   61   HG13  ILE   8          HG12      ILE   8  -3.141   4.625  -3.066
   62   HG21  ILE   8          HG21      ILE   8   0.029   6.901  -2.156
   63   HG22  ILE   8          HG22      ILE   8  -0.677   6.214  -3.637
   64   HG23  ILE   8          HG23      ILE   8  -1.368   7.691  -2.924
   65   HD11  ILE   8          HD11      ILE   8  -5.221   6.284  -2.271
   66   HD12  ILE   8          HD12      ILE   8  -4.852   4.677  -1.600
   67   HD13  ILE   8          HD13      ILE   8  -4.235   6.140  -0.797
   68    H    ASN   9           H        ASN   9  -0.834   5.768   0.889
   69    HA   ASN   9           HA       ASN   9   1.951   6.332   0.921
   70    HB2  ASN   9           HB2      ASN   9   0.039   7.390   2.214
   71    HB3  ASN   9           HB3      ASN   9   0.208   6.065   3.366
   72   HD21  ASN   9          HD21      ASN   9   2.090   8.774   4.951
   73   HD22  ASN   9          HD22      ASN   9   0.439   8.252   4.703
   74    H    GLY  10           H        GLY  10   0.192   3.638   2.538
   75    HA2  GLY  10           HA2      GLY  10   2.357   2.385   3.859
   76    HA3  GLY  10           HA3      GLY  10   0.905   1.553   3.275
   77    H    HIS  11           H        HIS  11   1.153   1.666   0.515
   78    HA   HIS  11           HA       HIS  11   3.128  -0.309  -0.141
   79    HB2  HIS  11           HB2      HIS  11   1.281   1.485  -1.733
   80    HB3  HIS  11           HB3      HIS  11   2.439   0.436  -2.558
   81    HD1  HIS  11           HD1      HIS  11  -0.862   0.222  -0.477
   82    HD2  HIS  11           HD2      HIS  11   1.876  -2.101  -2.802
   83    HE1  HIS  11           HE1      HIS  11  -1.955  -1.993  -1.187
   84    H    ASN  12           H        ASN  12   3.163   3.296  -0.550
   85    HA   ASN  12           HA       ASN  12   5.440   3.529  -2.201
   86    HB2  ASN  12           HB2      ASN  12   3.735   5.270  -1.608
   87    HB3  ASN  12           HB3      ASN  12   4.566   5.494  -0.063
   88   HD21  ASN  12          HD21      ASN  12   6.966   7.729  -1.390
   89   HD22  ASN  12          HD22      ASN  12   6.248   6.980   0.018
   90    H    SER  13           H        SER  13   5.458   2.836   1.301
   91    HA   SER  13           HA       SER  13   8.425   2.966   1.255
   92    HB2  SER  13           HB3      SER  13   6.468   3.894   3.267
   93    HB3  SER  13           HB2      SER  13   7.877   3.029   3.923
   94    HG   SER  13           HG       SER  13   8.270   5.295   3.660
   95    H    SER  14           H        SER  14   5.691   0.823   2.354
   96    HA   SER  14           HA       SER  14   7.522  -1.115   3.431
   97    HB2  SER  14           HB3      SER  14   5.224  -0.920   4.237
   98    HB3  SER  14           HB2      SER  14   4.655  -1.643   2.718
   99    HG   SER  14           HG       SER  14   4.938  -3.208   4.396
  100    H    SER  15           H        SER  15   5.920  -1.008   0.206
  101    HA   SER  15           HA       SER  15   7.145  -3.463  -0.700
  102    HB2  SER  15           HB3      SER  15   6.102  -1.108  -2.323
  103    HB3  SER  15           HB2      SER  15   6.470  -2.725  -2.953
  104    HG   SER  15           HG       SER  15   4.225  -2.447  -2.484
  105    H    SER  16           H        SER  16   8.704  -0.411  -0.092
  106    HA   SER  16           HA       SER  16  10.650  -0.527  -2.273
  107    HB2  SER  16           HB3      SER  16  10.570   1.161   0.263
  108    HB3  SER  16           HB2      SER  16  11.721   1.370  -1.074
  109    HG   SER  16           HG       SER  16   9.904   2.788  -1.238
  110    H    LEU  17           H        LEU  17  12.455  -1.698  -2.349
  111    HA   LEU  17           HA       LEU  17  13.293  -3.396  -0.128
  112    HB2  LEU  17           HB2      LEU  17  14.156  -2.915  -2.973
  113    HB3  LEU  17           HB3      LEU  17  15.172  -3.885  -1.902
  114    HG   LEU  17           HG       LEU  17  13.697  -5.158  -3.416
  115   HD11  LEU  17          HD11      LEU  17  14.628  -6.127  -1.336
  116   HD12  LEU  17          HD12      LEU  17  13.136  -6.910  -1.908
  117   HD13  LEU  17          HD13      LEU  17  13.079  -5.788  -0.529
  118   HD21  LEU  17          HD21      LEU  17  11.634  -3.791  -3.363
  119   HD22  LEU  17          HD22      LEU  17  11.312  -4.408  -1.725
  120   HD23  LEU  17          HD23      LEU  17  11.370  -5.532  -3.105
  Start of MODEL   30
    1    H1   ASN   1           H1       ASN   1 -13.154   1.744   8.815
    2    H2   ASN   1           H2       ASN   1 -13.340   3.179   9.605
    3    H3   ASN   1           H3       ASN   1 -11.863   2.445   9.564
    4    HA   ASN   1           HA       ASN   1 -13.332   3.634   7.332
    5    HB2  ASN   1           HB3      ASN   1 -12.211   5.034   9.137
    6    HB3  ASN   1           HB2      ASN   1 -10.671   4.462   8.487
    7   HD21  ASN   1          HD21      ASN   1 -10.552   7.304   6.414
    8   HD22  ASN   1          HD22      ASN   1  -9.773   6.305   7.620
    9    H    VAL   2           H        VAL   2 -11.626   0.939   7.720
   10    HA   VAL   2           HA       VAL   2  -9.548   0.962   5.790
   11    HB   VAL   2           HB       VAL   2 -11.123  -1.409   6.790
   12   HG11  VAL   2          HG21      VAL   2  -9.727  -1.955   4.793
   13   HG12  VAL   2          HG22      VAL   2  -9.232  -2.818   6.268
   14   HG13  VAL   2          HG23      VAL   2  -8.288  -1.422   5.695
   15   HG21  VAL   2          HG11      VAL   2 -10.089  -0.121   8.665
   16   HG22  VAL   2          HG12      VAL   2  -9.440  -1.768   8.487
   17   HG23  VAL   2          HG13      VAL   2  -8.496  -0.372   7.914
   18    H    HIS   3           H        HIS   3 -13.003   0.151   5.308
   19    HA   HIS   3           HA       HIS   3 -12.980  -0.927   2.733
   20    HB2  HIS   3           HB3      HIS   3 -14.856  -0.507   4.520
   21    HB3  HIS   3           HB2      HIS   3 -15.155   0.970   3.581
   22    HD1  HIS   3           HD1      HIS   3 -17.543   0.047   2.587
   23    HD2  HIS   3           HD2      HIS   3 -14.012  -2.271   1.822
   24    HE1  HIS   3           HE1      HIS   3 -18.015  -1.750   0.801
   25    H    THR   4           H        THR   4 -12.999   2.549   3.515
   26    HA   THR   4           HA       THR   4 -13.279   3.498   0.814
   27    HB   THR   4           HB       THR   4 -12.500   5.689   1.864
   28    HG1  THR   4           HG1      THR   4 -11.412   4.730   3.670
   29   HG21  THR   4          HG21      THR   4 -14.575   6.101   3.116
   30   HG22  THR   4          HG22      THR   4 -14.878   5.260   1.577
   31   HG23  THR   4          HG23      THR   4 -14.923   4.356   3.109
   32    H    PHE   5           H        PHE   5 -10.397   3.657   2.982
   33    HA   PHE   5           HA       PHE   5  -8.584   4.302   0.831
   34    HB2  PHE   5           HB2      PHE   5  -6.807   4.193   2.414
   35    HB3  PHE   5           HB3      PHE   5  -8.140   5.185   2.940
   36    HD1  PHE   5           HD1      PHE   5  -6.806   1.656   3.413
   37    HD2  PHE   5           HD2      PHE   5  -8.670   5.120   5.190
   38    HE1  PHE   5           HE1      PHE   5  -6.498   0.674   5.653
   39    HE2  PHE   5           HE2      PHE   5  -8.323   4.138   7.439
   40    HZ   PHE   5           HZ       PHE   5  -7.232   1.918   7.680
   41    H    ARG   6           H        ARG   6  -7.029   3.164  -0.240
   42    HA   ARG   6           HA       ARG   6  -7.297   0.204  -0.283
   43    HB2  ARG   6           HB3      ARG   6  -7.301   2.062  -2.295
   44    HB3  ARG   6           HB2      ARG   6  -5.596   1.602  -2.273
   45    HG2  ARG   6           HG2      ARG   6  -6.440   0.188  -3.874
   46    HG3  ARG   6           HG3      ARG   6  -6.463  -0.841  -2.439
   47    HD2  ARG   6           HD3      ARG   6  -8.931   0.660  -3.369
   48    HD3  ARG   6           HD2      ARG   6  -8.486  -0.922  -4.034
   49    HE   ARG   6           HE       ARG   6  -8.693  -1.841  -1.723
   50   HH11  ARG   6          HH11      ARG   6 -11.521   0.975  -1.033
   51   HH12  ARG   6          HH12      ARG   6 -10.425   1.243  -2.370
   52   HH21  ARG   6          HH21      ARG   6 -11.347  -0.848   0.245
   53   HH22  ARG   6          HH22      ARG   6 -10.114  -2.052  -0.055
   54    H    GLY   7           H        GLY   7  -4.509   2.287  -1.017
   55    HA2  GLY   7           HA3      GLY   7  -2.892   2.092   1.208
   56    HA3  GLY   7           HA2      GLY   7  -2.633   0.539   0.390
   57    H    ILE   8           H        ILE   8  -2.867   4.009  -0.491
   58    HA   ILE   8           HA       ILE   8  -0.988   3.846  -2.686
   59    HB   ILE   8           HB       ILE   8  -2.142   6.216  -1.192
   60   HG12  ILE   8          HG13      ILE   8  -3.482   6.266  -3.551
   61   HG13  ILE   8          HG12      ILE   8  -3.286   4.521  -3.347
   62   HG21  ILE   8          HG21      ILE   8  -0.104   6.805  -2.478
   63   HG22  ILE   8          HG22      ILE   8  -1.570   7.618  -3.075
   64   HG23  ILE   8          HG23      ILE   8  -0.901   6.227  -3.961
   65   HD11  ILE   8          HD11      ILE   8  -5.450   5.277  -2.455
   66   HD12  ILE   8          HD12      ILE   8  -4.421   4.631  -1.155
   67   HD13  ILE   8          HD13      ILE   8  -4.617   6.390  -1.344
   68    H    ASN   9           H        ASN   9  -0.788   5.483   0.491
   69    HA   ASN   9           HA       ASN   9   2.019   5.976   0.474
   70    HB2  ASN   9           HB2      ASN   9   0.122   7.069   1.796
   71    HB3  ASN   9           HB3      ASN   9   0.330   5.759   2.959
   72   HD21  ASN   9          HD21      ASN   9   2.273   8.490   4.434
   73   HD22  ASN   9          HD22      ASN   9   0.611   7.973   4.250
   74    H    GLY  10           H        GLY  10   0.198   3.314   2.084
   75    HA2  GLY  10           HA2      GLY  10   2.280   2.045   3.476
   76    HA3  GLY  10           HA3      GLY  10   0.878   1.209   2.788
   77    H    HIS  11           H        HIS  11   1.276   1.261   0.092
   78    HA   HIS  11           HA       HIS  11   3.404  -0.631  -0.383
   79    HB2  HIS  11           HB3      HIS  11   1.444   0.882  -2.135
   80    HB3  HIS  11           HB2      HIS  11   2.710  -0.130  -2.847
   81    HD1  HIS  11           HD1      HIS  11  -0.480  -0.541  -0.572
   82    HD2  HIS  11           HD2      HIS  11   2.336  -2.685  -2.983
   83    HE1  HIS  11           HE1      HIS  11  -1.266  -2.967  -0.924
   84    H    ASN  12           H        ASN  12   3.150   2.936  -1.018
   85    HA   ASN  12           HA       ASN  12   5.457   3.248  -2.609
   86    HB2  ASN  12           HB2      ASN  12   3.637   4.904  -2.185
   87    HB3  ASN  12           HB3      ASN  12   4.362   5.248  -0.609
   88   HD21  ASN  12          HD21      ASN  12   5.942   6.843  -0.505
   89   HD22  ASN  12          HD22      ASN  12   6.685   7.582  -1.906
   90    H    SER  13           H        SER  13   5.393   2.847   0.950
   91    HA   SER  13           HA       SER  13   8.346   3.142   0.980
   92    HB2  SER  13           HB3      SER  13   6.262   4.037   2.873
   93    HB3  SER  13           HB2      SER  13   7.703   3.312   3.621
   94    HG   SER  13           HG       SER  13   7.948   5.583   3.238
   95    H    SER  14           H        SER  14   5.748   0.839   2.086
   96    HA   SER  14           HA       SER  14   7.674  -0.856   3.371
   97    HB2  SER  14           HB3      SER  14   5.295  -0.847   3.991
   98    HB3  SER  14           HB2      SER  14   4.952  -1.772   2.513
   99    HG   SER  14           HG       SER  14   5.292  -3.132   4.352
  100    H    SER  15           H        SER  15   6.338  -1.073   0.023
  101    HA   SER  15           HA       SER  15   7.756  -3.457  -0.678
  102    HB2  SER  15           HB2      SER  15   7.338  -2.870  -2.949
  103    HB3  SER  15           HB3      SER  15   5.942  -2.326  -2.004
  104    HG   SER  15           HG       SER  15   7.874  -0.837  -3.371
  105    H    SER  16           H        SER  16   8.984  -0.193  -0.262
  106    HA   SER  16           HA       SER  16  11.428  -0.504  -1.827
  107    HB2  SER  16           HB3      SER  16  10.592   1.634   0.180
  108    HB3  SER  16           HB2      SER  16  12.000   1.721  -0.898
  109    HG   SER  16           HG       SER  16  10.160   2.831  -1.751
  110    H    LEU  17           H        LEU  17  13.266  -1.433  -1.200
  111    HA   LEU  17           HA       LEU  17  13.611  -2.521   1.486
  112    HB2  LEU  17           HB2      LEU  17  15.145  -2.538  -1.107
  113    HB3  LEU  17           HB3      LEU  17  15.911  -3.136   0.367
  114    HG   LEU  17           HG       LEU  17  14.964  -4.864  -1.116
  115   HD11  LEU  17          HD11      LEU  17  15.384  -5.260   1.291
  116   HD12  LEU  17          HD12      LEU  17  14.146  -6.320   0.576
  117   HD13  LEU  17          HD13      LEU  17  13.659  -4.951   1.604
  118   HD21  LEU  17          HD21      LEU  17  12.875  -3.774  -1.876
  119   HD22  LEU  17          HD22      LEU  17  12.664  -5.442  -1.293
  120   HD23  LEU  17          HD23      LEU  17  12.178  -4.074  -0.265