*HEADER    APOLIPOPROTEIN                          12-MAY-98   1IOJ      
*TITLE     HUMAN APOLIPOPROTEIN C-I, NMR, 18 STRUCTURES                  
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: APOC-I;                                            
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 ENGINEERED: 10% OF THE NMR RESTRAINTS WERE OBTAINED FROM A   
*COMPND   5 SYNTHETIC SAMPLE                                             
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   5 OTHER_DETAILS: 90% OF THE NMR RESTRAINTS WERE OBTAINED FROM  
*SOURCE   6 A NATIVE APOC-I SAMPLE ISOLATED FROM HYPERLIPIDEMIC          
*SOURCE   7 PATIENTS.  10% OF THE NMR RESTRAINTS WERE OBTAINED FROM A    
*SOURCE   8 SYNTHETIC APOC-I SAMPLE CONTAINING 10 15N-LABELED AMINO      
*SOURCE   9 ACID RESIDUES                                                
*KEYWDS    APOLIPOPROTEIN, AMPHIPATHIC HELIX, LIPID ASSOCIATION, LCAT    
*KEYWDS   2 ACTIVATION                                                   
*EXPDTA    NMR, 18 STRUCTURES                                            
*AUTHOR    A.ROZEK,J.T.SPARROW,K.H.WEISGRABER,R.J.CUSHLEY                
*REVDAT   1   12-OCT-04 1IOJ    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_4:HG2*    1:VAL_4:HG1*    1:VAL_4:CG2     1:VAL_4:CG1     1:VAL_4:CB     
1:LEU_8:HD2*    1:LEU_8:HD1*    1:LEU_8:CD2     1:LEU_8:CD1     1:LEU_8:CG     
1:LEU_25:HD1*   1:LEU_25:HD2*   1:LEU_25:CD1    1:LEU_25:CD2    1:LEU_25:CG    
1:VAL_49:HG1*   1:VAL_49:HG2*   1:VAL_49:CG1    1:VAL_49:CG2    1:VAL_49:CB    
1:LEU_34:HD1*   1:LEU_34:HD2*   1:LEU_34:CD1    1:LEU_34:CD2    1:LEU_34:CG    
!
#NOE_distance
1:THRN_1:HG2*      1:PRO_2:HDR         2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:THRN_1:HG2*      1:THRN_1:HA         3.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:THRN_1:HG2*      1:THRN_1:HB         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:PRO_2:HBR        1:PRO_2:HA          2.500  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:PRO_2:HBS        1:PRO_2:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PRO_2:HBS        1:PRO_2:HBR         1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:PRO_2:HDS        1:THRN_1:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PRO_2:HDR        1:THRN_1:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PRO_2:HDR        1:PRO_2:HDS         1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !medium
1:PRO_2:HDR        1:THRN_1:HB         3.500  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:PRO_2:HGR        1:PRO_2:HA          3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PRO_2:HGS        1:PRO_2:HA          3.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PRO_2:HGS        1:PRO_2:HDR         1.800  6.000  6.000 50.00 50.00 1000.000  0.00 !weak
1:PRO_2:HGR        1:PRO_2:HDR         1.800  6.000  6.000 50.00 50.00 1000.000  0.00 !medium
1:PRO_2:HGR        1:PRO_2:HDS         1.800  6.000  6.000 50.00 50.00 1000.000  0.00 !weak
1:ASP-_3:HBS       1:ASP-_3:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_3:HBR       1:ASP-_3:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_3:HN        1:PRO_2:HA          1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ASP-_3:HN        1:PRO_2:HBR         0.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HB         1:ASP-_3:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:VAL_4:HB         1:VAL_4:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HGS*       1:ASP-_3:HA         2.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:VAL_4:HGR*       1:ASP-_3:HA         2.500  6.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HGR*       1:VAL_4:HA          1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_4:HGS*       1:VAL_4:HA          1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_4:HGR*       1:VAL_4:HB          2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HGS*       1:VAL_4:HB          2.500  5.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_4:HN         1:VAL_4:HA          2.800  3.600  3.600 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HN         1:VAL_4:HB          2.700  3.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:VAL_4:HN         1:VAL_4:HGR*        1.800  6.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_4:HN         1:VAL_4:HGS*        1.800  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:SER_5:HB*        1:SER_5:HA          2.600  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_5:HN         1:SER_5:HA          1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_5:HN         1:SER_5:HB*         1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_5:HN         1:VAL_4:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_5:HN         1:VAL_4:HB          2.700  3.500  3.400 50.00 50.00 1000.000  0.00 !strong
1:SER_6:HB*        1:SER_6:HA          2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_6:HN         1:SER_5:HA          1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_6:HN         1:SER_6:HA          1.800  3.100  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_6:HN         1:SER_6:HB*         1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_7:HB*        1:ALA_7:HA          1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_7:HN         1:ALA_7:HA          1.800  3.100  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_7:HN         1:ALA_7:HB*         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_7:HN         1:LEU_8:HN          1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_7:HN         1:SER_6:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_7:HN         1:SER_6:HB*         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_7:HN         1:SER_6:HN          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_7:HN         1:VAL_4:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_8:HBS        1:LEU_8:HA          1.800  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_8:HDS*       1:LEU_8:HA          1.800  5.500  3.400 50.00 50.00 1000.000  0.00 !strong
1:LEU_8:HDR*       1:LEU_8:HA          1.800  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_8:HN         1:ALA_7:HB*         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_8:HN         1:LEU_8:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_8:HN         1:LEU_8:HBR         1.800  3.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:LEU_8:HN         1:LEU_8:HBS         1.800  3.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:LEU_8:HN         1:LEU_8:HDR*        2.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_8:HN         1:LEU_8:HDS*        2.500  6.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HBS       1:SER_6:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HBR       1:SER_6:HA          2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HBS       1:SER_6:HB*         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HBR       1:SER_6:HB*         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HN        1:ALA_7:HB*         2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HN        1:ASP-_9:HBS        1.800  3.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ASP-_9:HN        1:ASP-_9:HBR        1.800  3.500  3.400 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HN        1:LEU_8:HA          2.600  3.500  3.400 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HN        1:LEU_8:HBR         2.500  4.000  3.500 50.00 50.00 1000.000  0.00 !medium
1:ASP-_9:HN        1:LEU_8:HBS         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_10:HN       1:ASP-_9:HBS        2.500  4.000  3.900 50.00 50.00 1000.000  0.00 !medium
1:LYS+_10:HN       1:ASP-_9:HBR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_10:HN       1:ASP-_9:HN         2.700  3.400  3.400 50.00 50.00 1000.000  0.00 !medium	     
1:LYS+_10:HN       1:LEU_11:HN         2.700  3.400  3.400 50.00 50.00 1000.000  0.00 !medium
1:LYS+_10:HN       1:LYS+_10:HB1       0.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_11:HN        1:LEU_11:HBR        0.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_11:HN        1:LEU_11:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_11:HN        1:LEU_8:HA          2.500  4.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_11:HN        1:LYS+_12:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_12:HD*      1:ASP-_9:HA         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_12:HD*      1:LYS+_12:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_12:HG*      1:LYS+_12:HA        3.600  6.500  5.500 50.00 50.00 1000.000  0.00 !weak
1:GLU-_13:HB*      1:GLU-_13:HA        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_13:HG*      1:GLU-_13:HA        3.500  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLU-_13:HN       1:GLU-_13:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_13:HN       1:GLU-_13:HB*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_13:HN       1:LEU_11:HBS        1.800  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLU-_13:HN       1:LYS+_12:HB*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HB*       1:PHE_14:HA         1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:PHE_14:HD*       1:LEU_11:HA         2.500  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HD*       1:LEU_11:HD*        2.500  8.400  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HD*       1:PHE_14:HA         2.500  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HD*       1:PHE_14:HB*        2.000  7.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HD*       1:THR_17:HB         3.500  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_14:HD*       1:THR_17:HG2*       2.500  7.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HD*       1:LEU_18:HD*        2.800  8.400  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HE*       1:LEU_18:HD*        2.800  8.400  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HN        1:PHE_14:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HN        1:PHE_14:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLY_15:HAR       1:LEU_18:HN         0.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLY_15:HAS       1:GLY_15:HAR        1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:GLY_15:HAS       1:PHE_14:HD*        1.800  8.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLY_15:HN        1:GLY_15:HAR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLY_15:HN        1:GLY_15:HAS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLY_15:HN        1:LYS+_12:HA        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLY_15:HN        1:PHE_14:HB*        3.400  5.500  4.500 50.00 50.00 1000.000  0.00 !weak
1:ASN_16:HBS       1:GLU-_13:HA        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ASN_16:HBR       1:GLU-_13:HA        1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASN_16:HD22      1:ASN_16:HD21       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:ASN_16:HN        1:GLU-_13:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASN_16:HN        1:ASN_16:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ASN_16:HN        1:ASN_16:HBS        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ASN_16:HN        1:ASN_16:HBR        1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASN_16:HN        1:GLY_15:HAR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASN_16:HN        1:GLY_15:HAS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASN_16:HN        1:GLY_15:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASN_16:HN        1:LYS+_12:HA        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_17:HG2*      1:GLU-_19:HN        3.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_17:HG2*      1:LEU_18:HA         3.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_17:HG2*      1:LYS+_21:HN        3.500  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_17:HG2*      1:PHE_14:HA         2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:THR_17:HG2*      1:THR_17:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:THR_17:HG2*      1:THR_17:HB         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:THR_17:HN        1:THR_17:HB         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HN        1:GLU-_19:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HD*       1:GLY_15:HAR        3.500  7.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_18:HD*       1:GLY_15:HAS        3.500  7.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_18:HD*       1:LEU_18:HA         1.800  5.400  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_18:HD*       1:LEU_18:HBR        2.400  5.400  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_18:HD*       1:LEU_18:HBS        2.400  5.800  3.400 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HD*       1:LEU_18:HG         1.950  5.900  3.500 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HG        1:LEU_18:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_18:HN        1:LEU_18:HA         2.500  3.500  3.500 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HN        1:LEU_18:HBR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HN        1:LEU_18:HBS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HN        1:LEU_18:HD*        2.500  6.400  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HN        1:LEU_18:HG         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HN        1:THR_17:HB         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_18:HN        1:THR_17:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HA       1:ARG+_23:HN        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLU-_19:HBR      1:ASN_16:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HBS      1:ASN_16:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HGR      1:ASN_16:HA         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HGS      1:ASN_16:HA         2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLU-_19:HN       1:LEU_18:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_19:HN       1:LEU_18:HBR        0.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HN       1:LEU_18:HD*        2.500  6.400  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HN       1:LEU_18:HG         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HBR      1:GLU-_19:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_19:HBS      1:GLU-_19:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_19:HGS      1:GLU-_19:HA        1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HGR      1:GLU-_19:HA        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_19:HN       1:GLU-_19:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_19:HN       1:GLU-_19:HBR       1.800  5.000  3.400 50.00 50.00 1000.000  0.00 !strong
1:GLU-_19:HN       1:GLU-_19:HBS       1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLU-_19:HN       1:GLU-_19:HGR       2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak 
1:GLU-_19:HN       1:GLU-_19:HGS       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_20:HBR      1:GLU-_19:HA        1.800  6.200  6.200 50.00 50.00 1000.000  0.00 !weak
1:ASP-_20:HBR      1:THR_17:HA         2.100  5.800  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_20:HN       1:ASP-_20:HBS       2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_20:HN       1:ASP-_20:HBR       2.500  4.000  3.500 50.00 50.00 1000.000  0.00 !medium
1:ASP-_20:HN       1:GLU-_19:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_20:HN       1:GLU-_19:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HBS      1:LEU_18:HA         0.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HG*      1:LEU_18:HA         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HN       1:ALA_22:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HN       1:ASP-_20:HBS       2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HN       1:ASP-_20:HBR       2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HN       1:LYS+_21:HD*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HN       1:LYS+_21:HBS       0.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HE*      1:LEU_25:HDR*       2.500  7.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_22:HA        1:LEU_25:HB1        2.500  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_22:HB*       1:ALA_22:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_22:HB*       1:GLU-_19:HA        1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_22:HB*       1:ILE_26:HD1*       2.500  7.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_22:HN        1:ALA_22:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_22:HN        1:ALA_22:HB*        2.200  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_22:HN        1:GLU-_19:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_22:HN        1:LYS+_21:HBR       2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ALA_22:HN        1:LYS+_21:HBS       2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_23:HBS      1:ARG+_23:HA        0.900  4.700  3.000 50.00 50.00 1000.000  0.00 !strong
1:ARG+_23:HD*      1:ARG+_23:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_23:HD*      1:ASP-_20:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_23:HE       1:ARG+_23:HA        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_23:HE       1:ARG+_23:HBR       2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_23:HE       1:ARG+_23:HBS       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_23:HE       1:ARG+_23:HG*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_23:HN       1:ALA_22:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_23:HN       1:ALA_22:HB*        1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ARG+_23:HN       1:ALA_22:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_23:HN       1:ARG+_23:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ARG+_23:HN       1:ARG+_23:HBS       1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_23:HN       1:ARG+_23:HBR       1.800  5.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ARG+_23:HN       1:ARG+_23:HG*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_24:HB*      1:GLU-_24:HA        2.700  4.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:GLU-_24:HG*      1:GLU-_24:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_24:HN       1:ARG+_23:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_25:HN        1:ALA_22:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_25:HN        1:ALA_22:HB*        2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_25:HN        1:GLU-_24:HB*       2.600  4.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:LEU_25:HN        1:LEU_25:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong	    
1:ILE_26:HB        1:ILE_26:HA         2.700  3.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HB        1:ILE_26:HG1S       1.300  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HD1*      1:ILE_26:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HD1*      1:ILE_26:HB         2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HG1R      1:ILE_26:HA         0.700  4.700  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HG1S      1:ILE_26:HG1R       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HG2*      1:ILE_26:HA         2.400  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HG2*      1:ILE_26:HB         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ARG+_28:HB*      1:ARG+_28:HDR       1.800  6.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_28:HDR      1:ARG+_28:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_28:HE       1:ARG+_28:HDR       1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_28:HGS      1:ARG+_28:HB*       1.100  6.300  3.600 50.00 50.00 1000.000  0.00 !medium
1:ARG+_28:HGS      1:ARG+_28:HDR       1.900  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_28:HGR      1:ARG+_28:HGS       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:ARG+_28:HH*      1:ARG+_28:HDS       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_28:HH*      1:ARG+_28:HDR       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_28:HN       1:ARG+_28:HB*       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ARG+_28:HN       1:ARG+_28:HGR       3.500  5.200  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_28:HN       1:ARG+_28:HGS       3.500  5.200  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_28:HN       1:SER_27:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HA        1:ARG+_28:HA        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ILE_29:HB        1:ILE_26:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HB        1:ILE_29:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HD1*      1:ILE_29:HA         1.800  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HD1*      1:ILE_29:HB         2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HG1R      1:ILE_26:HA         1.000  5.300  3.400 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HG1R      1:ILE_29:HA         1.800  3.700  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HG1S      1:ILE_29:HA         1.800  3.700  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HG1S      1:ILE_29:HB         1.100  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HG1S      1:ILE_29:HG1R       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HG2*      1:ILE_26:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HG2*      1:ILE_29:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HG2*      1:ILE_29:HB         2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLN_31:HBR       1:GLN_31:HGR        1.100  5.200  3.500 50.00 50.00 1000.000  0.00 !medium
1:GLN_31:HBR       1:GLN_31:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_31:HBS       1:GLN_31:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_31:HBS       1:GLN_31:HBR        1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_31:HE22      1:GLN_31:HE21       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_31:HGS       1:GLN_31:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_31:HGR       1:GLN_31:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_31:HN        1:GLN_31:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong	    
1:GLN_31:HN        1:GLN_31:HBS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLN_31:HN        1:GLN_31:HBR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium	    
1:GLN_31:HN        1:GLN_31:HGS        2.500  4.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLN_31:HN        1:GLN_31:HGR        2.500  4.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLN_31:HN        1:ILE_29:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLN_31:HN        1:LYS+_30:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_31:HN        1:LYS+_30:HB*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_33:HBR      1:GLU-_33:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_33:HBS      1:GLU-_33:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_33:HBS      1:GLU-_33:HBR       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_33:HG*      1:GLU-_33:HA        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_33:HN       1:GLU-_33:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_33:HN       1:GLU-_33:HBS       1.800  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLU-_33:HN       1:GLU-_33:HG*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_33:HN       1:SER_32:HA         1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !exch
1:LEU_34:HN        1:ALA_36:HN         3.400  5.100  5.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:GLU-_33:HG*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_36:HB*       1:ALA_36:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_36:HB*       1:GLU-_33:HA        2.500  5.000  3.400 50.00 50.00 1000.000  0.00 !medium
1:ALA_36:HB*       1:GLU-_33:HBR       1.300  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_36:HB*       1:GLU-_33:HG*       3.500  7.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:ALA_36:HB*       1:SER_35:HB*        2.500  6.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_36:HN        1:ALA_36:HA         2.500  3.500  3.500 50.00 50.00 1000.000  0.00 !medium
1:ALA_36:HN        1:ALA_36:HB*        1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_36:HN        1:GLU-_33:HA        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ALA_36:HN        1:SER_35:HB*        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:MET_38:HBS       1:MET_38:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HGS       1:MET_38:HA         2.500  4.100  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HGR       1:MET_38:HA         2.500  4.100  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HBS       1:SER_35:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HGR       1:SER_35:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HGS       1:SER_35:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HGR       1:MET_38:HGS        1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:MET_38:HN        1:MET_38:HA         2.600  3.300  3.300 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HN        1:MET_38:HBS        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:MET_38:HN        1:MET_38:HBR        1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HN        1:MET_38:HGS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:MET_38:HN        1:MET_38:HGR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_39:HN       1:ALA_36:HB*        2.500  5.500  5.500 50.00 50.00 1000.000  0.00 !medium
1:ARG+_39:HD*      1:ALA_36:HA         3.500  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_39:HE       1:ARG+_39:HD*       2.700  4.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:ARG+_39:HE       1:MET_38:HBR        3.500  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_39:HN       1:ARG+_39:HA        1.800  3.500  3.500 50.00 50.00 1000.000  0.00 !strong
1:ARG+_39:HN       1:ARG+_39:HBR       2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_39:HN       1:ARG+_39:HBS       2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_39:HN       1:ARG+_39:HGS       2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_39:HN       1:ARG+_39:HGR       2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_40:HBR      1:GLU-_40:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_40:HBS      1:GLU-_40:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_40:HN       1:GLU-_40:HA        2.700  3.600  3.600 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HB*       1:TRP_41:HA         1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:TRP_41:HD1       1:TRP_41:HA         1.800  3.600  3.300 50.00 50.00 1000.000  0.00 !strong
1:TRP_41:HD1       1:TRP_41:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HE1       1:THR_45:HG2*       3.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HE1       1:TRP_41:HA         3.600  5.500  5.300 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HE1       1:TRP_41:HB*        3.500  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HE3       1:MET_38:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HE3       1:PHE_42:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HE3       1:PHE_42:HBR        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HE3       1:PHE_42:HBS        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HE3       1:TRP_41:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HH2       1:THR_45:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HN        1:GLU-_40:HA        3.000  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HN        1:GLU-_40:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HN        1:PHE_42:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HN        1:TRP_41:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:TRP_41:HN        1:TRP_41:HB*        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:TRP_41:HN        1:TRP_41:HD1        3.500  5.200  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HN        1:TRP_41:HE3        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HZ2       1:THR_45:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HZ3       1:MET_38:HE*        3.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:TRP_41:HZ3       1:PHE_42:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HZ3       1:THR_45:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HBR       1:PHE_42:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HBS       1:PHE_42:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HBS       1:PHE_42:HBR        1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:PHE_42:HD*       1:ARG+_39:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HBS       1:ARG+_39:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HD*       1:MET_38:HA         3.500  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HD*       1:MET_38:HBR        1.900  8.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HD*       1:MET_38:HE*        3.500  8.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HD*       1:PHE_42:HA         2.700  5.400  3.400 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HD*       1:PHE_42:HBR        2.000  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HD*       1:PHE_42:HBS        2.000  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HD*       1:SER_43:HA         3.500  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HE*       1:MET_38:HBR        1.800  8.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HE*       1:MET_38:HE*        3.500  8.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HE*       1:PHE_42:HA         3.500  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HE*       1:PHE_42:HBS        2.000  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HN        1:ARG+_39:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HN        1:PHE_42:HA         2.800  3.600  3.600 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HN        1:PHE_42:HBR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HN        1:PHE_42:HBS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HN        1:PHE_42:HD*        3.500  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HN        1:TRP_41:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HN        1:TRP_41:HB*        3.500  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HN        1:TRP_41:HE3        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_42:HZ        1:MET_38:HE*        2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_43:HN        1:PHE_42:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:SER_43:HN        1:PHE_42:HBR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_43:HN        1:PHE_42:HBS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_43:HN        1:PHE_42:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_43:HN        1:SER_43:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_44:HBS      1:GLU-_44:HA        1.800  4.700  3.000 50.00 50.00 1000.000  0.00 !strong  
1:GLU-_44:HBS      1:GLU-_44:HBR       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_44:HBS      1:TRP_41:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_44:HGS      1:TRP_41:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLU-_44:HGR      1:TRP_41:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_45:HB        1:PHE_42:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:THR_45:HB        1:PHE_46:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_45:HB        1:THR_45:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:THR_45:HG2*      1:THR_45:HA         2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:THR_45:HG2*      1:THR_45:HB         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:THR_45:HN        1:GLU-_44:HBR       1.400  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:THR_45:HN        1:GLU-_44:HGS       1.600  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:THR_45:HN        1:PHE_42:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:THR_45:HN        1:TRP_41:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_45:HN        1:THR_45:HA         2.500  3.600  3.600 50.00 50.00 1000.000  0.00 !medium
1:THR_45:HN        1:THR_45:HB         2.500  3.700  3.600 50.00 50.00 1000.000  0.00 !medium
1:THR_45:HN        1:THR_45:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HBR       1:PHE_46:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HBS       1:PHE_46:HA         2.500  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:PHE_46:HBR       1:SER_43:HA         1.100  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HD*       1:GLN_47:HA         2.500  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HD*       1:GLN_47:HG*        2.500  7.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HD*       1:LYS+_50:HD*       2.500  7.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HD*       1:LYS+_50:HGR       2.000  8.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_46:HD*       1:PHE_46:HA         1.800  5.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:PHE_46:HD*       1:PHE_46:HBR        2.000  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HD*       1:PHE_46:HBS        2.000  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HD*       1:SER_43:HA         3.500  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_46:HD*       1:VAL_49:HGR*       2.500  8.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_46:HD*       1:VAL_49:HGS*       2.500  8.500  5.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HE*       1:LYS+_50:HD*       2.500  7.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HE*       1:PHE_46:HA         2.500  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HN        1:PHE_42:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_46:HN        1:PHE_46:HA         2.600  3.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:PHE_46:HN        1:PHE_46:HBR        1.800  3.400  3.400 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HN        1:PHE_46:HBS        1.800  3.400  3.400 50.00 50.00 1000.000  0.00 !strong
1:PHE_46:HN        1:PHE_46:HD*        3.500  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_46:HN        1:SER_43:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_46:HN        1:THR_45:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HN        1:THR_45:HB         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HN        1:THR_45:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HN        1:THR_45:HN         2.500  3.500  3.500 50.00 50.00 1000.000  0.00 !medium
1:GLN_47:HB*       1:GLN_47:HA         1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_47:HE22      1:GLN_47:HE21       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_47:HG*       1:GLN_47:HA         2.700  4.400  3.400 50.00 50.00 1000.000  0.00 !medium
1:GLN_47:HN        1:GLN_47:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_47:HN        1:GLN_47:HB*        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLN_47:HN        1:GLN_47:HG*        2.700  4.400  3.400 50.00 50.00 1000.000  0.00 !medium
1:GLN_47:HN        1:PHE_46:HBR        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLN_47:HN        1:PHE_46:HBS        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLN_47:HN        1:PHE_46:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HBR      1:LYS+_48:HA        2.400  4.500  4.500 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HBS      1:THR_45:HA         1.900  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_48:HD*      1:LYS+_48:HA        2.500  4.500  3.500 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HD*      1:LYS+_48:HE*       2.500  5.500  3.500 50.00 50.00 1000.000  0.00 !strong
1:LYS+_48:HD*      1:THR_45:HA         3.500  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_48:HG*      1:LYS+_48:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HG*      1:LYS+_48:HE*       2.500  6.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HN       1:GLN_47:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HN       1:GLN_47:HB*        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_48:HN       1:GLN_47:HG*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HN       1:LYS+_48:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_48:HN       1:LYS+_48:HBR       2.500  4.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HN       1:LYS+_48:HBS       2.500  4.500  4.500 50.00 50.00 1000.000  0.00 !weak
1:LYS+_48:HN       1:LYS+_48:HG*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HN       1:THR_45:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HN       1:VAL_49:HGR*       1.000  8.200  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_48:HN       1:VAL_49:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HB        1:PHE_46:HBR        1.800  6.200  4.500 50.00 50.00 1000.000  0.00 !weak
1:VAL_49:HB        1:LYS+_50:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HB        1:VAL_49:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_49:HGR*      1:PHE_46:HA         1.800  7.200  3.500 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HGR*      1:PHE_46:HN         1.800  8.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:VAL_49:HGS*      1:VAL_49:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_49:HGR*      1:VAL_49:HA         1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_49:HGR*      1:VAL_49:HB         1.800  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HGS*      1:VAL_49:HB         1.800  5.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_49:HGS*      1:LYS+_50:HA        1.800  8.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HN        1:GLN_47:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:VAL_49:HN        1:VAL_49:HA         2.700  3.300  3.300 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HN        1:VAL_49:HB         2.700  3.300  3.300 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HN        1:VAL_49:HGR*       1.800  5.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:VAL_49:HN        1:VAL_49:HGS*       1.800  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HB*      1:GLN_47:HA         1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_50:HB*      1:LYS+_50:HA        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_50:HD*      1:GLN_47:HA         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HD*      1:LYS+_50:HA        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HES      1:GLN_47:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_50:HER      1:GLN_47:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_50:HGS      1:LYS+_50:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_50:HN       1:GLN_47:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HN       1:LYS+_50:HB*       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_50:HN       1:LYS+_50:HD*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HN       1:LYS+_50:HGS       1.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HN       1:VAL_49:HB         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HN       1:VAL_49:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HN       1:VAL_49:HGR*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HN       1:VAL_49:HGS*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_50:HN       1:LYS+_50:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_51:HGR      1:GLU-_51:HA        1.100  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:GLN_47:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:GLU-_51:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:GLU-_51:HB*       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:GLU-_51:HN       1:GLU-_51:HGS       2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:GLU-_51:HGR       2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:LYS+_50:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:LYS+_50:HB*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:LYS+_50:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_51:HN       1:LYS+_52:HN        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_52:HB*      1:VAL_49:HA         2.700  4.400  3.400 50.00 50.00 1000.000  0.00 !medium
1:LYS+_52:HG*      1:VAL_49:HA         2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_52:HN       1:LEU_53:HD*        2.500  6.400  4.000 50.00 50.00 1000.000  3.9  !medium
1:LYS+_52:HN       1:LYS+_50:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_52:HN       1:LYS+_50:HGS       2.000  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_52:HN       1:LYS+_52:HB*       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_52:HN       1:LYS+_52:HD*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_52:HN       1:LYS+_52:HG*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_52:HN       1:VAL_49:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HBR       1:LEU_53:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_53:HBS       1:LEU_53:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_53:HD*       1:LEU_53:HA         1.800  5.400  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_53:HD*       1:LEU_53:HBS        1.800  5.400  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_53:HG        1:LEU_53:HA         2.500  3.500  3.400 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HN        1:LEU_53:HA         2.500  3.400  3.400 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HN        1:LEU_53:HBR        1.100  5.200  3.500 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HN        1:LEU_53:HD*        2.700  5.800  3.400 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HN        1:LEU_53:HG         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HN        1:VAL_49:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_53:HN        1:LYS+_50:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HN        1:LYS+_52:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_53:HN        1:LYS+_52:HB*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_54:HN       1:LEU_53:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_54:HN       1:LEU_53:HD*        2.500  6.400  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_54:HN       1:LYS+_54:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_54:HN       1:LYS+_54:HB*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_54:HN       1:LYS+_54:HD*       3.500  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_54:HN       1:LYS+_54:HGR       3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_54:HN       1:LYS+_54:HGS       3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ILE_55:HN        1:ASP-_56:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_55:HN        1:ILE_55:HB         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_55:HN        1:ILE_55:HD1*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_55:HN        1:ILE_55:HG1S       2.500  4.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_55:HN        1:ILE_55:HG1R       2.500  4.500  4.500 50.00 50.00 1000.000  0.00 !medium
1:ILE_55:HN        1:ILE_55:HG2*       2.500  6.000  4.500 50.00 50.00 1000.000  0.00 !weak
1:ILE_55:HA        1:ILE_55:HG1S       1.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_55:HA        1:ILE_55:HD1*       1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ASP-_56:HN       1:ASP-_56:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_56:HBR      1:ASP-_56:HBS       1.700  2.000  2.000 50.00 50.00 1000.000  0.00 !strong
1:SERC_57:HN       1:ASP-_56:HA        3.000  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:SERC_57:HN       1:ASP-_56:HN        3.200  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
!NOESY (100 and 150 ms)
1:THRN_1:HG2*      1:PRO_2:HDS         1.800  6.500  5.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HGR*       1:SER_5:HB*         3.500  7.500  5.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HA         1:SER_6:HN          1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HB         1:SER_6:HN          1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_4:HA         1:LEU_8:HDS*        3.500  9.700  5.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_7:HB*        1:VAL_4:HB          1.800  6.500  5.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_7:HB*        1:VAL_4:HA          1.800  6.500  5.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_8:HDR*       1:ASP-_9:HN         1.800  9.700  5.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_11:HD*       1:GLU-_13:HN        1.800  7.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_11:HD*       1:PHE_14:HB*        1.800  8.400  5.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_12:HN       1:LYS+_12:HD*       1.800  6.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_13:HN       1:LYS+_12:HD*       1.800  6.100  5.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_14:HN        1:PHE_14:HD*        1.800  7.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_14:HN        1:GLY_15:HN         1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_14:HA        1:LEU_18:HN         1.800  6.000  6.000 50.00 50.00 1000.000  0.00 !strong
1:GLY_15:HAS       1:ASN_16:HBS        1.800  7.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_17:HG2*      1:ASP-_20:HBR       1.800  8.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_17:HG2*      1:LEU_18:HD*        1.800  8.900  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_17:HB        1:LEU_18:HD*        1.800  7.400  5.000 50.00 50.00 1000.000  0.00 !strong
1:THR_17:HG2*      1:PHE_14:HB*        1.800  7.900  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_18:HA        1:ALA_22:HN         1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_18:HD*       1:LYS+_21:HBR       1.800  7.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_18:HD*       1:LYS+_21:HBS       1.800  7.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_18:HD*       1:PHE_14:HB*        1.800  8.500  5.000 50.00 50.00 1000.000  0.00 !medium
1:GLU-_19:HBS      1:ASP-_20:HBR       1.800  8.400  5.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HBR      1:ASP-_20:HBR       1.800  8.400  5.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HBR      1:LEU_25:HN         1.800  6.800  5.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HE*      1:LEU_25:HDS*       1.800  7.500  5.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_21:HA       1:ALA_22:HN         1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !strong
1:ALA_22:HA        1:ILE_26:HD1*       1.800  6.500  5.000 50.00 50.00 1000.000  0.00 !medium
1:ALA_22:HN        1:LEU_25:HN         1.800  5.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_23:HA       1:ILE_26:HG1S       1.800  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_23:HN       1:ILE_26:HD1*       1.800  6.600  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_25:HDR*      1:ARG+_28:HDR       1.800  8.300  5.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_25:HDR*      1:ARG+_28:HDS       1.800  8.300  8.283 50.00 50.00 1000.000  0.00 !medium
1:LEU_25:HN        1:GLU-_24:HN        1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HA        1:ARG+_28:HN        1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:ARG+_28:HDR      1:ARG+_28:HGR       1.000  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:ARG+_28:HN       1:LYS+_30:HN        1.800  5.100  5.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HDR*      1:SER_35:HN         1.800  9.700  5.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_34:HDR*      1:MET_38:HGS        1.800  6.600  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_34:HDR*      1:MET_38:HGR        1.800  6.600  5.000 50.00 50.00 1000.000  0.00 !weak
1:LEU_34:HDS*      1:MET_38:HGS        1.800  6.600  5.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_34:HDS*      1:MET_38:HGR        1.800  6.600  5.000 50.00 50.00 1000.000  0.00 !weak
1:ALA_36:HB*       1:ARG+_39:HD*       1.800  7.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:ALA_36:HN        1:ARG+_39:HN        1.800  5.300  5.000 50.00 50.00 1000.000  0.00 !weak
1:MET_38:HBS       1:TRP_41:HB*        1.800  8.200  5.000 50.00 50.00 1000.000  0.00 !medium
1:TRP_41:HB*       1:PHE_42:HA         1.800  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HE*       1:MET_38:HGR        1.800  8.400  6.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HE*       1:MET_38:HGS        1.800  8.400  6.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HD*       1:MET_38:HGS        1.800  8.400  6.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HD*       1:MET_38:HGR        1.800  8.400  6.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_42:HN        1:GLU-_40:HN        1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:SER_43:HN        1:PHE_42:HD*        1.800  7.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:SER_43:HN        1:TRP_41:HE3        1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !strong
1:SER_43:HN        1:TRP_41:HA         1.800  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:PHE_46:HN        1:LYS+_48:HN        1.800  5.100  5.000 50.00 50.00 1000.000  0.00 !medium
1:PHE_46:HBR       1:GLN_47:HA         1.800  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_45:HG2*      1:LYS+_48:HE*       1.800  7.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:THR_45:HG2*      1:PHE_42:HBR        1.800  8.400  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLN_47:HE21      1:GLN_47:HB*        1.800  7.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLN_47:HE21      1:GLN_47:HG*        1.800  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:GLN_47:HE22      1:GLN_47:HG*        1.800  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:VAL_49:HGR*      1:LYS+_48:HA        1.800  9.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:VAL_49:HGR*      1:LYS+_52:HN        1.800  9.700  5.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HGR*      1:LYS+_52:HE*       1.000 10.700  5.000 50.00 50.00 1000.000  0.00 !medium
1:VAL_49:HGR*      1:GLU-_51:HN        1.000  9.700  5.000 50.00 50.00 1000.000  0.00 !weak
1:VAL_49:HA        1:GLU-_51:HN        1.800  5.100  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_50:HGS      1:GLN_47:HA         1.800  6.700  5.000 50.00 50.00 1000.000  0.00 !weak
!45 degree spec
1:ASP-_9:HN        1:ASP-_9:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong         
1:ASP-_20:HN       1:ASP-_20:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium         
1:LYS+_21:HN       1:ASP-_20:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium         
1:ARG+_23:HN       1:ASP-_20:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium         
1:LYS+_12:HN       1:ASP-_9:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak           
1:LYS+_10:HN       1:ASP-_9:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium         
1:GLU-_19:HN       1:GLY_15:HAS        1.800  6.700  5.000 50.00 50.00 1000.000  0.00 !weak           
1:GLU-_19:HN       1:ASN_16:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ASP-_20:HA       1:ALA_22:HB*        1.800  6.500  5.000 50.00 50.00 1000.000  0.00 !weak 
1:ASP-_20:HA       1:ARG+_23:HG*       1.800  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
!15N-filtered NOESY
1:LYS+_12:HN       1:LYS+_12:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_12:HN       1:LYS+_12:HB*       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_12:HN       1:LEU_11:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_12:HN       1:GLU-_13:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HN        1:ALA_22:HA         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:ILE_26:HN        1:ARG+_23:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HN        1:ILE_26:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HN        1:ILE_26:HB         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HN        1:ILE_26:HD1*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HN        1:ILE_26:HG1R       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HN        1:ILE_26:HG1S       1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HN        1:ILE_26:HG2*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HN        1:LEU_25:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HN        1:LEU_25:HB1        1.800  4.700  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_26:HN        1:LEU_25:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_26:HN        1:SER_27:HN         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_27:HN        1:ARG+_23:HA        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:SER_27:HN        1:ARG+_28:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_27:HN        1:ILE_26:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_27:HN        1:ILE_26:HB         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_27:HN        1:ILE_26:HD1*       3.500  6.500  5.000 50.00 50.00 1000.000  0.00 !weak
1:SER_27:HN        1:ILE_26:HG2*       1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HN        1:ARG+_28:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HN        1:ARG+_28:HN        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HN        1:ILE_26:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HN        1:ILE_29:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HN        1:ILE_29:HB         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HN        1:ILE_29:HD1*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HN        1:ILE_29:HG1R       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:ILE_29:HN        1:ILE_29:HG1S       1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:ILE_29:HN        1:ILE_29:HG2*       1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_30:HN       1:GLN_31:HN         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_30:HN       1:ILE_26:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_30:HN       1:ILE_29:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_30:HN       1:ILE_29:HB         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_30:HN       1:ILE_29:HD1*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_30:HN       1:ILE_29:HG1R       1.800  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_30:HN       1:ILE_29:HG2*       1.800  4.500  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_30:HN       1:ILE_29:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_30:HN       1:LYS+_30:HA        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_30:HN       1:LYS+_30:HB*       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_30:HN       1:LYS+_30:HD*       1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LYS+_30:HN       1:LYS+_30:HG*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_32:HN        1:GLN_31:HA         1.800  3.300  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_32:HN        1:GLN_31:HBR        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_32:HN        1:GLN_31:HBS        2.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:SER_32:HN        1:GLN_31:HN         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_32:HN        1:GLU-_33:HN        3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !medium
1:SER_32:HN        1:ILE_29:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_32:HN        1:LYS+_30:HB*       3.500  6.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:SER_32:HN        1:SER_32:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_32:HN        1:SER_32:HBS        1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_32:HN        1:SER_32:HBR        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_32:HN        1:SER_35:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  3.14 !medium
1:LEU_34:HN        1:GLU-_33:HA        1.800  3.300  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_34:HN        1:GLU-_33:HBR       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:GLU-_33:HBS       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:GLU-_33:HN        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:LEU_34:HA         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_34:HN        1:LEU_34:HBS        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_34:HN        1:LEU_34:HDR*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:LEU_34:HDS*       2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:LEU_34:HBR        1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:LEU_34:HN        1:SER_32:HA         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:SER_32:HBS        2.500  5.700  4.000 50.00 50.00 1000.000  0.00 !medium
1:LEU_34:HN        1:SER_35:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  3.37 !medium
1:LEU_34:HN        1:SER_35:HN         1.800  3.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_35:HN        1:GLU-_33:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_35:HN        1:LEU_34:HBS        1.800  4.000  3.000 50.00 50.00 1000.000  0.00 !strong
1:SER_35:HN        1:LEU_34:HBR        1.800  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:SER_35:HN        1:ALA_36:HN         3.500  5.000  5.000 50.00 50.00 1000.000  0.00 !weak
1:LYS+_37:HN       1:ALA_36:HB*        2.500  5.500  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_37:HN       1:LYS+_37:HA        2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_37:HN       1:LYS+_37:HB*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_37:HN       1:LYS+_37:HD*       2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_37:HN       1:SER_35:HB*        2.500  5.000  4.000 50.00 50.00 1000.000  0.00 !medium
1:LYS+_37:HN       1:MET_38:HN         2.500  4.000  4.000 50.00 50.00 1000.000  0.00 !medium
!
#noe_distance_overlapped
1:TRP_41:HZ3       1:TRP_41:HE3        1.800  3.000  50.00 50.00 1000.000  0.00 !strong
+ 1:PHE_42:HZ        1:PHE_42:HD*
1:ASN_16:HN        1:THR_17:HN         1.800  4.000  50.00 50.00 1000.000  0.00 !medium
+ 1:ARG+_39:HN       1:GLU-_40:HN
1:ASP-_9:HN        1:LEU_8:HN          1.800  3.000  50.00 50.00 1000.000  0.00 !strong
+ 1:SER_5:HN         1:SER_6:HN
1:LYS+_48:HN       1:GLN_47:HN         1.800  4.000  50.00 50.00 1000.000  0.00 !medium	     
+ 1:LYS+_52:HN       1:LEU_53:HN
1:ASP-_3:HN        1:ASP-_3:HA         1.800  3.000  50.00 50.00 1000.000  0.00 !strong	     
+ 1:ASP-_3:HA        1:VAL_4:HN
1:SER_27:HN        1:SER_27:HB*        1.800  4.000  50.00 50.00 1000.000  0.00 !strong	     
+ 1:SER_35:HN        1:SER_35:HB*
1:SER_27:HN        1:SER_27:HA         1.800  3.000  50.00 50.00 1000.000  0.00 !strong	     
+ 1:SER_35:HN        1:SER_35:HA
1:LYS+_52:HN       1:LYS+_52:HA        1.800  3.000  50.00 50.00 1000.000  0.00 !strong	     
+ 1:LYS+_10:HA       1:LYS+_10:HN
+ 1:ILE_55:HA        1:ILE_55:HN
1:ARG+_39:HH*      1:ARG+_39:HD*       1.800  5.000  50.00 50.00 1000.000  0.00 !medium	     
+ 1:ARG+_23:HH*      1:ARG+_23:HD*
1:ASP-_3:HN        1:ASP-_3:HBS        1.800  3.000  50.00 50.00 1000.000  0.00 !strong	     
+ 1:VAL_4:HN         1:ASP-_3:HBS
1:ASP-_3:HN        1:ASP-_3:HBR        1.800  3.000  50.00 50.00 1000.000  0.00 !strong	     
+ 1:VAL_4:HN         1:ASP-_3:HBR
+ 1:ASP-_56:HN       1:ASP-_56:HBS
1:GLU-_24:HN       1:GLU-_24:HG*       1.800  5.000  50.00 50.00 1000.000  0.00 !medium	     
+ 1:GLU-_40:HN       1:GLU-_40:HGS
+ 1:GLU-_40:HN       1:GLU-_40:HGR
1:ARG+_23:HE       1:ARG+_23:HD*       1.800  4.000  50.00 50.00 1000.000  0.00 !strong	     
+ 1:ARG+_28:HE       1:ARG+_28:HDS
1:GLU-_24:HN       1:GLU-_24:HB*       1.800  4.000  50.00 50.00 1000.000  0.00 !strong
+ 1:GLU-_40:HN       1:GLU-_40:HBR
+ 1:GLU-_40:HN       1:GLU-_40:HBS
1:ARG+_28:HE       1:ARG+_28:HB*       1.800  5.000  50.00 50.00 1000.000  0.00 !medium        
+ 1:ARG+_39:HE       1:ARG+_39:HBR
1:ARG+_28:HE       1:ARG+_28:HGS       1.800  4.000  50.00 50.00 1000.000  0.00 !medium        
+ 1:ARG+_39:HE       1:ARG+_39:HGS
1:ARG+_28:HE       1:ARG+_28:HGR       1.800  5.000  50.00 50.00 1000.000  0.00 !medium
+ 1:ARG+_39:HE       1:ARG+_39:HGR
1:VAL_49:HN        1:LYS+_48:HBR       1.800  4.700  50.00 50.00 1000.000  0.00 !strong        
+ 1:GLU-_24:HN       1:ARG+_23:HBR
1:LYS+_48:HN       1:LYS+_48:HD*       1.800  4.000  50.00 50.00 1000.000  0.00 !strong        
+ 1:LEU_53:HN        1:LEU_53:HBS
1:ILE_29:HN        1:ARG+_28:HB*       1.800  4.000  50.00 50.00 1000.000  0.00 !strong
+ 1:LEU_11:HN        1:LYS+_10:HB1
1:THR_17:HN        1:THR_17:HG2*       1.800  4.500  50.00 50.00 1000.000  0.00 !strong        
+ 1:LYS+_50:HN       1:LYS+_50:HGR
1:ARG+_28:HH*      1:ARG+_28:HE        1.800  5.000  50.00 50.00 1000.000  0.00 !medium        
+ 1:ARG+_39:HH*      1:ARG+_39:HE
+ 1:ARG+_23:HH*      1:ARG+_23:HE
1:ILE_26:HD1*      1:ARG+_23:HA        1.800  5.500  50.00 50.00 1000.000  0.00 !medium        
+ 1:THR_45:HG2*      1:PHE_42:HA
1:LYS+_50:HGR      1:LYS+_50:HA        1.800  4.700  50.00 50.00 1000.000  0.00 !strong        
+ 1:ILE_26:HG1S      1:ILE_26:HA
1:LYS+_48:HBS      1:LYS+_48:HA        1.800  4.700  50.00 50.00 1000.000  0.00 !strong        
+ 1:LEU_8:HBR        1:LEU_8:HA
1:LYS+_12:HB*      1:LYS+_12:HA        1.800  4.000  50.00 50.00 1000.000  0.00 !strong        
+ 1:ARG+_23:HBR      1:ARG+_23:HA
+ 1:LEU_18:HBR       1:LEU_18:HA
1:LEU_18:HBS       1:LEU_18:HA         1.800  4.000  50.00 50.00 1000.000  0.00 !strong        
+ 1:ARG+_23:HG*      1:ARG+_23:HA
1:MET_38:HBR       1:MET_38:HA         1.800  3.000  50.00 50.00 1000.000  0.00 !strong        
+ 1:GLU-_44:HBR      1:TRP_41:HA
1:LYS+_12:HB*      1:ASP-_9:HA         1.800  4.000  50.00 50.00 1000.000  0.00 !strong        
+ 1:ASP-_20:HA       1:ARG+_23:HBR
+ 1:ASP-_20:HA       1:ARG+_23:HBS
1:GLU-_51:HB*      1:LYS+_48:HA        1.800  5.000  50.00 50.00 1000.000  0.00 !medium        
+ 1:SER_35:HB*       1:MET_38:HBR
1:LEU_53:HD*       1:LEU_53:HG         1.800  5.400  50.00 50.00 1000.000  0.00 !strong
+ 1:ILE_29:HG1R      1:ILE_29:HD1*
1:LEU_53:HD*       1:LEU_53:HBR        1.800  7.100  50.00 50.00 1000.000  0.00 !strong
+ 1:ILE_26:HG1R      1:ILE_26:HD1*
1:THR_17:HG2*      1:LYS+_21:HE*       1.800  6.500  50.00 50.00 1000.000  0.00 !medium
+ 1:THR_17:HG2*      1:ASN_16:HBS
1:ARG+_28:HDS      1:ARG+_28:HA        1.800  4.000  50.00 50.00 1000.000  0.00 !strong
+ 1:PHE_14:HB*       1:LEU_11:HA
1:PHE_42:HBR       1:ARG+_39:HA        1.800  4.000  50.00 50.00 1000.000  0.00 !strong
+ 1:ARG+_39:HD*      1:ARG+_39:HA
1:GLU-_40:HGS      1:GLU-_40:HA        1.800  3.000  50.00 50.00 1000.000  0.00 !strong
+ 1:GLU-_44:HGS      1:GLU-_44:HA
1:GLU-_40:HGR      1:GLU-_40:HA        1.800  3.000  50.00 50.00 1000.000  0.00 !strong
+ 1:GLU-_44:HGR      1:GLU-_44:HA
1:TRP_41:HN        1:GLU-_40:HBR       1.800  4.000  50.00 50.00 1000.000  0.00 !medium
+ 1:TRP_41:HN        1:GLU-_40:HBS
1:TRP_41:HN        1:ARG+_39:HN        1.800  5.000  50.00 50.00 1000.000  0.00 !weak
+ 1:TRP_41:HN        1:SER_43:HN


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    THR   1          1H        THR   1 -13.334   0.116   0.116
    2   2H    THR   1          2H        THR   1 -11.824  -0.511  -0.511
    3   3H    THR   1          3H        THR   1 -12.639   0.193   0.193
    4    HA   THR   1           HA       THR   1 -14.327  -1.499  -1.499
    5    HB   THR   1           HB       THR   1 -12.562  -1.756  -1.756
    6    HG1  THR   1           HG1      THR   1 -14.058  -3.413  -3.413
    7   1HG2  THR   1          2HG2      THR   1 -10.530  -1.747  -1.747
    8   2HG2  THR   1          3HG2      THR   1 -10.937  -3.382  -3.382
    9   3HG2  THR   1          1HG2      THR   1 -10.541  -3.111  -3.111
   10    HA   PRO   2           HA       PRO   2 -13.847  -3.035  -3.035
   11   1HB   PRO   2          1HB       PRO   2 -16.296  -2.253  -2.253
   12   2HB   PRO   2          2HB       PRO   2 -15.037  -1.061  -1.061
   13   1HG   PRO   2          1HG       PRO   2 -17.470  -1.699  -1.699
   14   2HG   PRO   2          2HG       PRO   2 -16.782  -0.110  -0.110
   15   1HD   PRO   2          1HD       PRO   2 -16.320  -1.440  -1.440
   16   2HD   PRO   2          2HD       PRO   2 -15.108  -0.304  -0.304
   17    H    ASP   3           H        ASP   3 -14.054  -5.044  -5.044
   18    HA   ASP   3           HA       ASP   3 -15.898  -6.955  -6.955
   19   1HB   ASP   3          1HB       ASP   3 -13.479  -7.484  -7.484
   20   2HB   ASP   3          2HB       ASP   3 -13.858  -7.487  -7.487
   21    H    VAL   4           H        VAL   4 -17.829  -7.395  -7.395
   22    HA   VAL   4           HA       VAL   4 -18.870  -6.120  -6.120
   23    HB   VAL   4           HB       VAL   4 -20.574  -7.594  -7.594
   24   1HG1  VAL   4          1HG1      VAL   4 -21.255  -5.324  -5.324
   25   2HG1  VAL   4          2HG1      VAL   4 -22.349  -5.904  -5.904
   26   3HG1  VAL   4          3HG1      VAL   4 -21.883  -6.987  -6.987
   27   1HG2  VAL   4          1HG2      VAL   4 -19.675  -4.635  -4.635
   28   2HG2  VAL   4          2HG2      VAL   4 -19.255  -5.924  -5.924
   29   3HG2  VAL   4          3HG2      VAL   4 -20.931  -5.384  -5.384
   30    H    SER   5           H        SER   5 -20.400  -7.271  -7.271
   31    HA   SER   5           HA       SER   5 -20.859 -10.075 -10.075
   32   1HB   SER   5          1HB       SER   5 -18.509 -10.316 -10.316
   33   2HB   SER   5          2HB       SER   5 -18.919  -9.295  -9.295
   34    HG   SER   5           HG       SER   5 -20.564 -10.817 -10.817
   35    H    SER   6           H        SER   6 -22.738  -8.717  -8.717
   36    HA   SER   6           HA       SER   6 -24.424  -7.282  -7.282
   37   1HB   SER   6          1HB       SER   6 -25.177  -9.314  -9.314
   38   2HB   SER   6          2HB       SER   6 -24.440  -8.714  -8.714
   39    HG   SER   6           HG       SER   6 -26.639  -8.199  -8.199
   40    H    ALA   7           H        ALA   7 -22.443  -5.779  -5.779
   41    HA   ALA   7           HA       ALA   7 -22.431  -3.882  -3.882
   42   1HB   ALA   7          3HB       ALA   7 -20.087  -4.451  -4.451
   43   2HB   ALA   7          1HB       ALA   7 -20.101  -3.257  -3.257
   44   3HB   ALA   7          2HB       ALA   7 -20.222  -4.989  -4.989
   45    H    LEU   8           H        LEU   8 -21.562  -3.681  -3.681
   46    HA   LEU   8           HA       LEU   8 -22.910  -1.113  -1.113
   47   1HB   LEU   8          1HB       LEU   8 -21.775  -3.362  -3.362
   48   2HB   LEU   8          2HB       LEU   8 -22.614  -2.027  -2.027
   49    HG   LEU   8           HG       LEU   8 -20.292  -1.679  -1.679
   50   1HD1  LEU   8          2HD1      LEU   8 -21.685   0.373   0.373
   51   2HD1  LEU   8          3HD1      LEU   8 -21.240   0.380   0.380
   52   3HD1  LEU   8          1HD1      LEU   8 -19.993   0.613   0.613
   53   1HD2  LEU   8          3HD2      LEU   8 -19.371  -2.982  -2.982
   54   2HD2  LEU   8          1HD2      LEU   8 -18.608  -1.392  -1.392
   55   3HD2  LEU   8          2HD2      LEU   8 -19.803  -1.643  -1.643
   56    H    ASP   9           H        ASP   9 -24.243  -4.298  -4.298
   57    HA   ASP   9           HA       ASP   9 -26.786  -3.842  -3.842
   58   1HB   ASP   9          1HB       ASP   9 -25.891  -6.132  -6.132
   59   2HB   ASP   9          2HB       ASP   9 -26.275  -5.657  -5.657
   60    H    LYS  10           H        LYS  10 -25.849  -3.418  -3.418
   61    HA   LYS  10           HA       LYS  10 -28.369  -2.137  -2.137
   62   1HB   LYS  10          2HB       LYS  10 -26.834  -3.365  -3.365
   63   2HB   LYS  10          1HB       LYS  10 -25.626  -2.110  -2.110
   64   1HG   LYS  10          1HG       LYS  10 -26.728  -1.772  -1.772
   65   2HG   LYS  10          2HG       LYS  10 -27.196  -0.434  -0.434
   66   1HD   LYS  10          1HD       LYS  10 -29.422  -1.570  -1.570
   67   2HD   LYS  10          2HD       LYS  10 -28.928  -2.939  -2.939
   68   1HE   LYS  10          1HE       LYS  10 -28.745  -1.388  -1.388
   69   2HE   LYS  10          2HE       LYS  10 -29.234  -0.020  -0.020
   70   1HZ   LYS  10          2HZ       LYS  10 -31.350  -1.163  -1.163
   71   2HZ   LYS  10          3HZ       LYS  10 -30.894  -2.440  -2.440
   72   3HZ   LYS  10          1HZ       LYS  10 -31.112  -0.948  -0.948
   73    H    LEU  11           H        LEU  11 -25.110  -0.594  -0.594
   74    HA   LEU  11           HA       LEU  11 -26.390   2.066   2.066
   75   1HB   LEU  11          1HB       LEU  11 -24.190   3.010   3.010
   76   2HB   LEU  11          2HB       LEU  11 -24.618   2.460   2.460
   77    HG   LEU  11           HG       LEU  11 -22.931   0.557   0.557
   78   1HD1  LEU  11          2HD1      LEU  11 -21.843   2.781   2.781
   79   2HD1  LEU  11          3HD1      LEU  11 -21.706   3.030   3.030
   80   3HD1  LEU  11          1HD1      LEU  11 -20.819   1.703   1.703
   81   1HD2  LEU  11          3HD2      LEU  11 -23.649  -0.124  -0.124
   82   2HD2  LEU  11          1HD2      LEU  11 -21.888  -0.009  -0.009
   83   3HD2  LEU  11          2HD2      LEU  11 -22.802   1.287   1.287
   84    H    LYS  12           H        LYS  12 -27.481   0.922   0.922
   85    HA   LYS  12           HA       LYS  12 -25.798   0.548   0.548
   86   1HB   LYS  12          1HB       LYS  12 -27.838  -0.039  -0.039
   87   2HB   LYS  12          2HB       LYS  12 -27.605  -0.978  -0.978
   88   1HG   LYS  12          1HG       LYS  12 -29.335   0.483   0.483
   89   2HG   LYS  12          2HG       LYS  12 -29.612   1.344   1.344
   90   1HD   LYS  12          1HD       LYS  12 -30.307  -0.822  -0.822
   91   2HD   LYS  12          2HD       LYS  12 -30.008  -1.691  -1.691
   92   1HE   LYS  12          1HE       LYS  12 -31.780  -0.284  -0.284
   93   2HE   LYS  12          2HE       LYS  12 -32.083   0.584   0.584
   94   1HZ   LYS  12          3HZ       LYS  12 -32.454  -2.347  -2.347
   95   2HZ   LYS  12          1HZ       LYS  12 -33.659  -1.219  -1.219
   96   3HZ   LYS  12          2HZ       LYS  12 -32.738  -1.538  -1.538
   97    H    GLU  13           H        GLU  13 -27.931   3.076   3.076
   98    HA   GLU  13           HA       GLU  13 -27.622   4.739   4.739
   99   1HB   GLU  13          1HB       GLU  13 -29.149   6.329   6.329
  100   2HB   GLU  13          2HB       GLU  13 -29.849   4.737   4.737
  101   1HG   GLU  13          1HG       GLU  13 -28.785   6.322   6.322
  102   2HG   GLU  13          2HG       GLU  13 -30.457   6.176   6.176
  103    H    PHE  14           H        PHE  14 -26.689   5.010   5.010
  104    HA   PHE  14           HA       PHE  14 -24.826   7.276   7.276
  105   1HB   PHE  14          1HB       PHE  14 -25.789   6.834   6.834
  106   2HB   PHE  14          2HB       PHE  14 -25.026   5.269   5.269
  107    HD1  PHE  14           HD1      PHE  14 -24.251   8.973   8.973
  108    HD2  PHE  14           HD2      PHE  14 -22.766   5.099   5.099
  109    HE1  PHE  14           HE1      PHE  14 -22.234  10.014  10.014
  110    HE2  PHE  14           HE2      PHE  14 -20.755   6.156   6.156
  111    HZ   PHE  14           HZ       PHE  14 -20.482   8.610   8.610
  112    H    GLY  15           H        GLY  15 -24.320   3.727   3.727
  113   1HA   GLY  15          1HA       GLY  15 -21.421   3.662   3.662
  114   2HA   GLY  15          2HA       GLY  15 -22.471   2.387   2.387
  115    H    ASN  16           H        ASN  16 -23.923   3.523   3.523
  116    HA   ASN  16           HA       ASN  16 -22.151   3.657   3.657
  117   1HB   ASN  16          1HB       ASN  16 -24.643   3.095   3.095
  118   2HB   ASN  16          2HB       ASN  16 -25.016   4.786   4.786
  119   1HD2  ASN  16          1HD2      ASN  16 -24.769   5.368   5.368
  120   2HD2  ASN  16          2HD2      ASN  16 -25.240   5.972   5.972
  121    H    THR  17           H        THR  17 -23.376   6.415   6.415
  122    HA   THR  17           HA       THR  17 -22.456   8.545   8.545
  123    HB   THR  17           HB       THR  17 -22.910   8.544   8.544
  124    HG1  THR  17           HG1      THR  17 -24.573   9.222   9.222
  125   1HG2  THR  17          3HG2      THR  17 -22.878  10.900  10.900
  126   2HG2  THR  17          1HG2      THR  17 -23.373  10.974  10.974
  127   3HG2  THR  17          2HG2      THR  17 -21.684  10.607  10.607
  128    H    LEU  18           H        LEU  18 -20.753   7.291   7.291
  129    HA   LEU  18           HA       LEU  18 -18.253   8.573   8.573
  130   1HB   LEU  18          1HB       LEU  18 -17.216   8.355   8.355
  131   2HB   LEU  18          2HB       LEU  18 -18.856   8.759   8.759
  132    HG   LEU  18           HG       LEU  18 -17.593   5.945   5.945
  133   1HD1  LEU  18          2HD1      LEU  18 -16.607   7.569   7.569
  134   2HD1  LEU  18          3HD1      LEU  18 -18.230   7.979   7.979
  135   3HD1  LEU  18          1HD1      LEU  18 -17.573   6.340   6.340
  136   1HD2  LEU  18          2HD2      LEU  18 -20.359   6.889   6.889
  137   2HD2  LEU  18          3HD2      LEU  18 -20.050   5.710   5.710
  138   3HD2  LEU  18          1HD2      LEU  18 -19.612   5.313   5.313
  139    H    GLU  19           H        GLU  19 -19.427   5.891   5.891
  140    HA   GLU  19           HA       GLU  19 -16.832   4.472   4.472
  141   1HB   GLU  19          1HB       GLU  19 -19.680   3.904   3.904
  142   2HB   GLU  19          2HB       GLU  19 -18.316   3.187   3.187
  143   1HG   GLU  19          1HG       GLU  19 -17.502   2.102   2.102
  144   2HG   GLU  19          2HG       GLU  19 -18.805   2.812   2.812
  145    H    ASP  20           H        ASP  20 -19.305   6.433   6.433
  146    HA   ASP  20           HA       ASP  20 -17.649   6.961   6.961
  147   1HB   ASP  20          1HB       ASP  20 -20.160   7.316   7.316
  148   2HB   ASP  20          2HB       ASP  20 -19.893   8.712   8.712
  149    H    LYS  21           H        LYS  21 -17.887   8.814   8.814
  150    HA   LYS  21           HA       LYS  21 -15.913  10.874  10.874
  151   1HB   LYS  21          1HB       LYS  21 -16.606   9.868   9.868
  152   2HB   LYS  21          2HB       LYS  21 -15.628  11.263  11.263
  153   1HG   LYS  21          1HG       LYS  21 -18.604  11.004  11.004
  154   2HG   LYS  21          2HG       LYS  21 -17.926  11.862  11.862
  155   1HD   LYS  21          1HD       LYS  21 -16.646  13.387  13.387
  156   2HD   LYS  21          2HD       LYS  21 -17.475  12.577  12.577
  157   1HE   LYS  21          1HE       LYS  21 -19.720  13.290  13.290
  158   2HE   LYS  21          2HE       LYS  21 -18.872  14.131  14.131
  159   1HZ   LYS  21          1HZ       LYS  21 -17.790  15.532  15.532
  160   2HZ   LYS  21          2HZ       LYS  21 -18.580  14.748  14.748
  161   3HZ   LYS  21          3HZ       LYS  21 -19.434  15.639  15.639
  162    H    ALA  22           H        ALA  22 -15.413   7.591   7.591
  163    HA   ALA  22           HA       ALA  22 -12.492   7.961   7.961
  164   1HB   ALA  22          2HB       ALA  22 -13.664   6.232   6.232
  165   2HB   ALA  22          3HB       ALA  22 -14.124   5.389   5.389
  166   3HB   ALA  22          1HB       ALA  22 -12.408   5.496   5.496
  167    H    ARG  23           H        ARG  23 -14.400   6.465   6.465
  168    HA   ARG  23           HA       ARG  23 -11.922   6.396   6.396
  169   1HB   ARG  23          1HB       ARG  23 -14.827   5.624   5.624
  170   2HB   ARG  23          2HB       ARG  23 -13.512   5.643   5.643
  171   1HG   ARG  23          1HG       ARG  23 -13.203   3.515   3.515
  172   2HG   ARG  23          2HG       ARG  23 -12.323   3.975   3.975
  173   1HD   ARG  23          1HD       ARG  23 -15.393   3.499   3.499
  174   2HD   ARG  23          2HD       ARG  23 -14.268   2.147   2.147
  175    HE   ARG  23           HE       ARG  23 -13.488   3.912   3.912
  176   1HH1  ARG  23          1HH1      ARG  23 -15.990   1.543   1.543
  177   2HH1  ARG  23          2HH1      ARG  23 -16.222   1.103   1.103
  178   1HH2  ARG  23          1HH2      ARG  23 -13.839   3.327   3.327
  179   2HH2  ARG  23          2HH2      ARG  23 -15.087   2.045   2.045
  180    H    GLU  24           H        GLU  24 -11.581   8.616   8.616
  181    HA   GLU  24           HA       GLU  24 -12.372  10.652  10.652
  182   1HB   GLU  24          1HB       GLU  24 -14.708  10.505  10.505
  183   2HB   GLU  24          2HB       GLU  24 -14.080  10.786  10.786
  184   1HG   GLU  24          1HG       GLU  24 -13.284  13.116  13.116
  185   2HG   GLU  24          2HG       GLU  24 -14.087  12.765  12.765
  186    H    LEU  25           H        LEU  25 -11.935  10.257  10.257
  187    HA   LEU  25           HA       LEU  25  -9.913  12.482  12.482
  188   1HB   LEU  25          1HB       LEU  25 -11.217  10.657  10.657
  189   2HB   LEU  25          2HB       LEU  25  -9.742  11.486  11.486
  190    HG   LEU  25           HG       LEU  25 -10.636  13.665  13.665
  191   1HD1  LEU  25          2HD1      LEU  25 -12.173  13.541  13.541
  192   2HD1  LEU  25          3HD1      LEU  25 -13.344  12.585  12.585
  193   3HD1  LEU  25          1HD1      LEU  25 -12.986  14.265  14.265
  194   1HD2  LEU  25          3HD2      LEU  25 -11.111  12.436  12.436
  195   2HD2  LEU  25          1HD2      LEU  25 -12.373  13.636  13.636
  196   3HD2  LEU  25          2HD2      LEU  25 -12.688  11.910  11.910
  197    H    ILE  26           H        ILE  26  -9.852   8.897   8.897
  198    HA   ILE  26           HA       ILE  26  -6.874   8.782   8.782
  199    HB   ILE  26           HB       ILE  26  -8.935   6.590   6.590
  200   1HG1  ILE  26          1HG1      ILE  26  -7.166   7.205   7.205
  201   2HG1  ILE  26          2HG1      ILE  26  -8.763   7.894   7.894
  202   1HG2  ILE  26          3HG2      ILE  26  -5.896   6.223   6.223
  203   2HG2  ILE  26          1HG2      ILE  26  -7.107   4.916   4.916
  204   3HG2  ILE  26          2HG2      ILE  26  -6.814   5.756   5.756
  205   1HD1  ILE  26          2HD1      ILE  26  -9.804   5.620   5.620
  206   2HD1  ILE  26          3HD1      ILE  26  -8.198   4.897   4.897
  207   3HD1  ILE  26          1HD1      ILE  26  -8.955   5.968   5.968
  208    H    SER  27           H        SER  27  -9.181   8.534   8.534
  209    HA   SER  27           HA       SER  27  -7.049   7.961   7.961
  210   1HB   SER  27          1HB       SER  27 -10.010   8.727   8.727
  211   2HB   SER  27          2HB       SER  27  -8.890   8.324   8.324
  212    HG   SER  27           HG       SER  27  -8.547   6.306   6.306
  213    H    ARG  28           H        ARG  28  -5.657   9.580   9.580
  214    HA   ARG  28           HA       ARG  28  -5.026  11.852  11.852
  215   1HB   ARG  28          1HB       ARG  28  -5.770  13.911  13.911
  216   2HB   ARG  28          2HB       ARG  28  -7.079  13.068  13.068
  217   1HG   ARG  28          1HG       ARG  28  -7.967  12.398  12.398
  218   2HG   ARG  28          2HG       ARG  28  -6.672  13.358  13.358
  219   1HD   ARG  28          1HD       ARG  28  -7.568  15.431  15.431
  220   2HD   ARG  28          2HD       ARG  28  -8.891  14.449  14.449
  221    HE   ARG  28           HE       ARG  28  -9.981  14.511  14.511
  222   1HH1  ARG  28          1HH1      ARG  28  -6.654  15.703  15.703
  223   2HH1  ARG  28          2HH1      ARG  28  -7.075  16.315  16.315
  224   1HH2  ARG  28          1HH2      ARG  28 -10.341  15.249  15.249
  225   2HH2  ARG  28          2HH2      ARG  28  -9.018  16.074  16.074
  226    H    ILE  29           H        ILE  29  -5.754  11.027  11.027
  227    HA   ILE  29           HA       ILE  29  -3.083  11.998  11.998
  228    HB   ILE  29           HB       ILE  29  -5.328  10.528  10.528
  229   1HG1  ILE  29          1HG1      ILE  29  -4.401  13.455  13.455
  230   2HG1  ILE  29          2HG1      ILE  29  -5.771  12.967  12.967
  231   1HG2  ILE  29          2HG2      ILE  29  -3.166   9.955   9.955
  232   2HG2  ILE  29          3HG2      ILE  29  -2.758  11.685  11.685
  233   3HG2  ILE  29          1HG2      ILE  29  -4.138  11.007  11.007
  234   1HD1  ILE  29          3HD1      ILE  29  -6.935  12.061  12.061
  235   2HD1  ILE  29          1HD1      ILE  29  -5.604  12.733  12.733
  236   3HD1  ILE  29          2HD1      ILE  29  -6.630  13.814  13.814
  237    H    LYS  30           H        LYS  30  -4.360   8.669   8.669
  238    HA   LYS  30           HA       LYS  30  -3.410   6.641   6.641
  239   1HB   LYS  30          1HB       LYS  30  -3.584   7.387   7.387
  240   2HB   LYS  30          2HB       LYS  30  -1.843   7.415   7.415
  241   1HG   LYS  30          1HG       LYS  30  -2.485   5.281   5.281
  242   2HG   LYS  30          2HG       LYS  30  -1.887   4.951   4.951
  243   1HD   LYS  30          1HD       LYS  30  -4.253   4.831   4.831
  244   2HD   LYS  30          2HD       LYS  30  -4.880   5.309   5.309
  245   1HE   LYS  30          1HE       LYS  30  -3.924   3.174   3.174
  246   2HE   LYS  30          2HE       LYS  30  -3.291   2.706   2.706
  247   1HZ   LYS  30          3HZ       LYS  30  -5.582   2.693   2.693
  248   2HZ   LYS  30          1HZ       LYS  30  -6.173   3.130   3.130
  249   3HZ   LYS  30          2HZ       LYS  30  -5.427   1.668   1.668
  250    H    GLN  31           H        GLN  31  -2.401   7.238   7.238
  251    HA   GLN  31           HA       GLN  31  -0.737   7.578   7.578
  252   1HB   GLN  31          1HB       GLN  31   0.930   5.896   5.896
  253   2HB   GLN  31          2HB       GLN  31   1.396   6.379   6.379
  254   1HG   GLN  31          1HG       GLN  31  -0.570   5.195   5.195
  255   2HG   GLN  31          2HG       GLN  31  -1.098   4.706   4.706
  256   1HE2  GLN  31          2HE2      GLN  31   1.973   2.623   2.623
  257   2HE2  GLN  31          1HE2      GLN  31   1.264   4.143   4.143
  258    H    SER  32           H        SER  32  -1.121   9.852   9.852
  259    HA   SER  32           HA       SER  32   1.682  11.102  11.102
  260   1HB   SER  32          1HB       SER  32  -0.881  12.117  12.117
  261   2HB   SER  32          2HB       SER  32   0.661  12.978  12.978
  262    HG   SER  32           HG       SER  32   0.411  11.736  11.736
  263    H    GLU  33           H        GLU  33  -0.994  13.291  13.291
  264    HA   GLU  33           HA       GLU  33  -0.160  13.652  13.652
  265   1HB   GLU  33          1HB       GLU  33  -1.941  15.299  15.299
  266   2HB   GLU  33          2HB       GLU  33  -1.050  15.543  15.543
  267   1HG   GLU  33          1HG       GLU  33  -2.926  14.396  14.396
  268   2HG   GLU  33          2HG       GLU  33  -3.820  14.168  14.168
  269    H    LEU  34           H        LEU  34  -1.613  11.026  11.026
  270    HA   LEU  34           HA       LEU  34  -3.270  10.497  10.497
  271   1HB   LEU  34          1HB       LEU  34  -4.202   9.565   9.565
  272   2HB   LEU  34          2HB       LEU  34  -2.719   8.765   8.765
  273    HG   LEU  34           HG       LEU  34  -4.624   7.348   7.348
  274   1HD1  LEU  34          2HD1      LEU  34  -2.296   6.448   6.448
  275   2HD1  LEU  34          3HD1      LEU  34  -2.050   6.879   6.879
  276   3HD1  LEU  34          1HD1      LEU  34  -3.282   5.682   5.682
  277   1HD2  LEU  34          3HD2      LEU  34  -5.428   8.742   8.742
  278   2HD2  LEU  34          1HD2      LEU  34  -5.111   7.059   7.059
  279   3HD2  LEU  34          2HD2      LEU  34  -3.956   8.337   8.337
  280    H    SER  35           H        SER  35  -0.270   9.632   9.632
  281    HA   SER  35           HA       SER  35   0.886   8.315   8.315
  282   1HB   SER  35          1HB       SER  35   1.821   8.348   8.348
  283   2HB   SER  35          2HB       SER  35   2.777   7.704   7.704
  284    HG   SER  35           HG       SER  35   1.523   6.115   6.115
  285    H    ALA  36           H        ALA  36   3.167   9.887   9.887
  286    HA   ALA  36           HA       ALA  36   4.768  11.637  11.637
  287   1HB   ALA  36          2HB       ALA  36   2.893  13.207  13.207
  288   2HB   ALA  36          3HB       ALA  36   2.630  13.057  13.057
  289   3HB   ALA  36          1HB       ALA  36   4.161  13.722  13.722
  290    H    LYS  37           H        LYS  37   3.151  11.197  11.197
  291    HA   LYS  37           HA       LYS  37   5.738  10.800  10.800
  292   1HB   LYS  37          1HB       LYS  37   4.466  10.450  10.450
  293   2HB   LYS  37          2HB       LYS  37   4.029  11.954  11.954
  294   1HG   LYS  37          1HG       LYS  37   1.904  10.895  10.895
  295   2HG   LYS  37          2HG       LYS  37   2.310   9.378   9.378
  296   1HD   LYS  37          1HD       LYS  37   1.872  12.056  12.056
  297   2HD   LYS  37          2HD       LYS  37   0.629  10.840  10.840
  298   1HE   LYS  37          1HE       LYS  37   1.975   9.138   9.138
  299   2HE   LYS  37          2HE       LYS  37   3.211  10.364  10.364
  300   1HZ   LYS  37          1HZ       LYS  37   0.360  10.563  10.563
  301   2HZ   LYS  37          2HZ       LYS  37   1.642  10.214  10.214
  302   3HZ   LYS  37          3HZ       LYS  37   1.516  11.707  11.707
  303    H    MET  38           H        MET  38   3.137   8.706   8.706
  304    HA   MET  38           HA       MET  38   4.346   6.170   6.170
  305   1HB   MET  38          1HB       MET  38   2.424   6.549   6.549
  306   2HB   MET  38          2HB       MET  38   2.936   5.016   5.016
  307   1HG   MET  38          1HG       MET  38   1.204   7.092   7.092
  308   2HG   MET  38          2HG       MET  38   0.701   5.536   5.536
  309   1HE   MET  38          3HE       MET  38   1.360   3.159   3.159
  310   2HE   MET  38          2HE       MET  38   3.132   3.422   3.422
  311   3HE   MET  38          1HE       MET  38   2.349   2.927   2.927
  312    H    ARG  39           H        ARG  39   4.713   8.003   8.003
  313    HA   ARG  39           HA       ARG  39   6.557   5.933   5.933
  314   1HB   ARG  39          1HB       ARG  39   5.801   8.729   8.729
  315   2HB   ARG  39          2HB       ARG  39   7.138   7.841   7.841
  316   1HG   ARG  39          1HG       ARG  39   5.669   5.874   5.874
  317   2HG   ARG  39          2HG       ARG  39   4.270   6.737   6.737
  318   1HD   ARG  39          1HD       ARG  39   4.485   8.496   8.496
  319   2HD   ARG  39          2HD       ARG  39   5.997   7.770   7.770
  320    HE   ARG  39           HE       ARG  39   3.889   5.729   5.729
  321   1HH1  ARG  39          1HH1      ARG  39   4.892   8.665   8.665
  322   2HH1  ARG  39          2HH1      ARG  39   4.112   8.035   8.035
  323   1HH2  ARG  39          1HH2      ARG  39   3.038   5.114   5.114
  324   2HH2  ARG  39          2HH2      ARG  39   3.134   6.162   6.162
  325    H    GLU  40           H        GLU  40   7.157   8.911   8.911
  326    HA   GLU  40           HA       GLU  40  10.101   8.733   8.733
  327   1HB   GLU  40          1HB       GLU  40   8.799  10.756  10.756
  328   2HB   GLU  40          2HB       GLU  40   8.251   9.901   9.901
  329   1HG   GLU  40          1HG       GLU  40  10.680   9.725   9.725
  330   2HG   GLU  40          2HG       GLU  40  11.195  10.575  10.575
  331    H    TRP  41           H        TRP  41   7.650   7.373   7.373
  332    HA   TRP  41           HA       TRP  41   9.483   5.861   5.861
  333   1HB   TRP  41          1HB       TRP  41   7.166   6.524   6.524
  334   2HB   TRP  41          2HB       TRP  41   6.489   5.450   5.450
  335    HD1  TRP  41           HD1      TRP  41   7.901   5.494   5.494
  336    HE1  TRP  41           HE1      TRP  41   7.579   3.164   3.164
  337    HE3  TRP  41           HE3      TRP  41   6.626   2.881   2.881
  338    HZ2  TRP  41           HZ2      TRP  41   6.814   0.570   0.570
  339    HZ3  TRP  41           HZ3      TRP  41   6.108   0.451   0.451
  340    HH2  TRP  41           HH2      TRP  41   6.202  -0.671  -0.671
  341    H    PHE  42           H        PHE  42   7.940   4.896   4.896
  342    HA   PHE  42           HA       PHE  42   8.749   2.023   2.023
  343   1HB   PHE  42          1HB       PHE  42   7.920   3.634   3.634
  344   2HB   PHE  42          2HB       PHE  42   8.314   1.940   1.940
  345    HD1  PHE  42           HD1      PHE  42   6.931   0.498   0.498
  346    HD2  PHE  42           HD2      PHE  42   5.560   3.923   3.923
  347    HE1  PHE  42           HE1      PHE  42   4.600  -0.150  -0.150
  348    HE2  PHE  42           HE2      PHE  42   3.243   3.269   3.269
  349    HZ   PHE  42           HZ       PHE  42   2.750   1.235   1.235
  350    H    SER  43           H        SER  43  10.165   4.916   4.916
  351    HA   SER  43           HA       SER  43  12.693   3.465   3.465
  352   1HB   SER  43          1HB       SER  43  13.448   5.533   5.533
  353   2HB   SER  43          2HB       SER  43  11.883   5.024   5.024
  354    HG   SER  43           HG       SER  43  10.914   6.540   6.540
  355    H    GLU  44           H        GLU  44  12.819   2.931   2.931
  356    HA   GLU  44           HA       GLU  44  14.698   4.297   4.297
  357   1HB   GLU  44          1HB       GLU  44  13.134   6.110   6.110
  358   2HB   GLU  44          2HB       GLU  44  11.782   5.059   5.059
  359   1HG   GLU  44          1HG       GLU  44  14.205   5.180   5.180
  360   2HG   GLU  44          2HG       GLU  44  12.907   6.358   6.358
  361    H    THR  45           H        THR  45  11.544   2.588   2.588
  362    HA   THR  45           HA       THR  45  12.559   0.563   0.563
  363    HB   THR  45           HB       THR  45  10.009   0.603   0.603
  364    HG1  THR  45           HG1      THR  45  10.567   1.299   1.299
  365   1HG2  THR  45          3HG2      THR  45  10.651  -1.109  -1.109
  366   2HG2  THR  45          1HG2      THR  45   9.054  -0.952  -0.952
  367   3HG2  THR  45          2HG2      THR  45  10.386  -1.728  -1.728
  368    H    PHE  46           H        PHE  46  11.712   0.260   0.260
  369    HA   PHE  46           HA       PHE  46  13.000  -2.361  -2.361
  370   1HB   PHE  46          1HB       PHE  46  11.231  -1.411  -1.411
  371   2HB   PHE  46          2HB       PHE  46  12.359  -0.215  -0.215
  372    HD1  PHE  46           HD2      PHE  46  11.766  -3.943  -3.943
  373    HD2  PHE  46           HD1      PHE  46  13.954  -0.797  -0.797
  374    HE1  PHE  46           HE2      PHE  46  12.623  -5.552  -5.552
  375    HE2  PHE  46           HE1      PHE  46  14.794  -2.420  -2.420
  376    HZ   PHE  46           HZ       PHE  46  14.141  -4.798  -4.798
  377    H    GLN  47           H        GLN  47  14.268   0.972   0.972
  378    HA   GLN  47           HA       GLN  47  16.867   0.191   0.191
  379   1HB   GLN  47          1HB       GLN  47  16.190   2.724   2.724
  380   2HB   GLN  47          2HB       GLN  47  17.696   2.464   2.464
  381   1HG   GLN  47          1HG       GLN  47  14.916   2.668   2.668
  382   2HG   GLN  47          2HG       GLN  47  16.140   3.914   3.914
  383   1HE2  GLN  47          2HE2      GLN  47  16.329   1.224   1.224
  384   2HE2  GLN  47          1HE2      GLN  47  14.945   1.334   1.334
  385    H    LYS  48           H        LYS  48  15.902   0.511   0.511
  386    HA   LYS  48           HA       LYS  48  18.473  -0.124  -0.124
  387   1HB   LYS  48          1HB       LYS  48  15.612  -0.591  -0.591
  388   2HB   LYS  48          2HB       LYS  48  17.002  -1.083  -1.083
  389   1HG   LYS  48          1HG       LYS  48  17.851   1.149   1.149
  390   2HG   LYS  48          2HG       LYS  48  16.853   1.801   1.801
  391   1HD   LYS  48          1HD       LYS  48  15.900   2.559   2.559
  392   2HD   LYS  48          2HD       LYS  48  14.775   1.404   1.404
  393   1HE   LYS  48          1HE       LYS  48  16.779   0.626   0.626
  394   2HE   LYS  48          2HE       LYS  48  15.235   1.374   1.374
  395   1HZ   LYS  48          3HZ       LYS  48  14.106  -0.476  -0.476
  396   2HZ   LYS  48          1HZ       LYS  48  15.548  -1.202  -1.202
  397   3HZ   LYS  48          2HZ       LYS  48  15.077  -1.011  -1.011
  398    H    VAL  49           H        VAL  49  15.926  -2.349  -2.349
  399    HA   VAL  49           HA       VAL  49  17.387  -4.833  -4.833
  400    HB   VAL  49           HB       VAL  49  15.359  -4.606  -4.606
  401   1HG1  VAL  49          3HG1      VAL  49  16.598  -6.779  -6.779
  402   2HG1  VAL  49          1HG1      VAL  49  16.141  -7.035  -7.035
  403   3HG1  VAL  49          2HG1      VAL  49  14.898  -7.028  -7.028
  404   1HG2  VAL  49          1HG2      VAL  49  14.690  -5.165  -5.165
  405   2HG2  VAL  49          2HG2      VAL  49  14.186  -3.739  -3.739
  406   3HG2  VAL  49          3HG2      VAL  49  13.550  -5.329  -5.329
  407    H    LYS  50           H        LYS  50  17.085  -2.991  -2.991
  408    HA   LYS  50           HA       LYS  50  18.585  -4.740  -4.740
  409   1HB   LYS  50          1HB       LYS  50  16.995  -2.787  -2.787
  410   2HB   LYS  50          2HB       LYS  50  18.326  -1.679  -1.679
  411   1HG   LYS  50          1HG       LYS  50  19.616  -3.046  -3.046
  412   2HG   LYS  50          2HG       LYS  50  18.095  -3.886  -3.886
  413   1HD   LYS  50          1HD       LYS  50  17.900  -2.196  -2.196
  414   2HD   LYS  50          2HD       LYS  50  17.004  -1.505  -1.505
  415   1HE   LYS  50          1HE       LYS  50  18.357   0.281   0.281
  416   2HE   LYS  50          2HE       LYS  50  19.096  -0.142  -0.142
  417   1HZ   LYS  50          2HZ       LYS  50  20.065  -1.032  -1.032
  418   2HZ   LYS  50          3HZ       LYS  50  20.751   0.136   0.136
  419   3HZ   LYS  50          1HZ       LYS  50  20.766  -1.440  -1.440
  420    H    GLU  51           H        GLU  51  19.890  -1.751  -1.751
  421    HA   GLU  51           HA       GLU  51  22.657  -2.037  -2.037
  422   1HB   GLU  51          1HB       GLU  51  23.209  -0.444  -0.444
  423   2HB   GLU  51          2HB       GLU  51  21.695   0.018   0.018
  424   1HG   GLU  51          1HG       GLU  51  20.503  -1.037  -1.037
  425   2HG   GLU  51          2HG       GLU  51  22.095  -1.211  -1.211
  426    H    LYS  52           H        LYS  52  20.962  -3.934  -3.934
  427    HA   LYS  52           HA       LYS  52  23.505  -4.941  -4.941
  428   1HB   LYS  52          1HB       LYS  52  20.558  -5.571  -5.571
  429   2HB   LYS  52          2HB       LYS  52  21.941  -6.248  -6.248
  430   1HG   LYS  52          1HG       LYS  52  22.625  -3.977  -3.977
  431   2HG   LYS  52          2HG       LYS  52  21.301  -3.237  -3.237
  432   1HD   LYS  52          1HD       LYS  52  19.639  -4.625  -4.625
  433   2HD   LYS  52          2HD       LYS  52  20.958  -5.254  -5.254
  434   1HE   LYS  52          1HE       LYS  52  20.200  -2.254  -2.254
  435   2HE   LYS  52          2HE       LYS  52  19.649  -3.324  -3.324
  436   1HZ   LYS  52          1HZ       LYS  52  21.965  -3.642  -3.642
  437   2HZ   LYS  52          2HZ       LYS  52  22.501  -2.639  -2.639
  438   3HZ   LYS  52          3HZ       LYS  52  21.559  -2.039  -2.039
  439    H    LEU  53           H        LEU  53  20.607  -6.301  -6.301
  440    HA   LEU  53           HA       LEU  53  22.095  -8.920  -8.920
  441   1HB   LEU  53          1HB       LEU  53  19.110  -8.362  -8.362
  442   2HB   LEU  53          2HB       LEU  53  19.863  -9.938  -9.938
  443    HG   LEU  53           HG       LEU  53  19.940  -8.086  -8.086
  444   1HD1  LEU  53          2HD2      LEU  53  17.663  -8.988  -8.988
  445   2HD1  LEU  53          3HD2      LEU  53  18.299 -10.652 -10.652
  446   3HD1  LEU  53          1HD2      LEU  53  18.347  -9.689  -9.689
  447   1HD2  LEU  53          3HD1      LEU  53  20.981 -10.984 -10.984
  448   2HD2  LEU  53          1HD1      LEU  53  21.976  -9.526  -9.526
  449   3HD2  LEU  53          2HD1      LEU  53  20.867 -10.053 -10.053
  450    H    LYS  54           H        LYS  54  19.613  -9.092  -9.092
  451    HA   LYS  54           HA       LYS  54  19.602  -9.402  -9.402
  452   1HB   LYS  54          1HB       LYS  54  19.304  -6.897  -6.897
  453   2HB   LYS  54          2HB       LYS  54  21.015  -6.692  -6.692
  454   1HG   LYS  54          1HG       LYS  54  20.627  -7.920  -7.920
  455   2HG   LYS  54          2HG       LYS  54  18.927  -8.032  -8.032
  456   1HD   LYS  54          1HD       LYS  54  19.163  -6.200  -6.200
  457   2HD   LYS  54          2HD       LYS  54  18.766  -5.510  -5.510
  458   1HE   LYS  54          1HE       LYS  54  21.203  -4.875  -4.875
  459   2HE   LYS  54          2HE       LYS  54  21.637  -5.658  -5.658
  460   1HZ   LYS  54          3HZ       LYS  54  20.202  -4.063  -4.063
  461   2HZ   LYS  54          1HZ       LYS  54  19.795  -3.332  -3.332
  462   3HZ   LYS  54          2HZ       LYS  54  21.356  -3.279  -3.279
  463    H    ILE  55           H        ILE  55  22.455  -8.028  -8.028
  464    HA   ILE  55           HA       ILE  55  24.072 -10.518 -10.518
  465    HB   ILE  55           HB       ILE  55  23.786  -9.712  -9.712
  466   1HG1  ILE  55          1HG1      ILE  55  26.688  -9.294  -9.294
  467   2HG1  ILE  55          2HG1      ILE  55  25.874 -10.852 -10.852
  468   1HG2  ILE  55          1HG2      ILE  55  23.569  -7.192  -7.192
  469   2HG2  ILE  55          2HG2      ILE  55  25.330  -7.101  -7.101
  470   3HG2  ILE  55          3HG2      ILE  55  24.655  -7.645  -7.645
  471   1HD1  ILE  55          3HD1      ILE  55  25.451 -10.643 -10.643
  472   2HD1  ILE  55          1HD1      ILE  55  26.360  -9.106  -9.106
  473   3HD1  ILE  55          2HD1      ILE  55  27.185 -10.626 -10.626
  474    H    ASP  56           H        ASP  56  24.730  -7.012  -7.012
  475    HA   ASP  56           HA       ASP  56  25.716  -7.353  -7.353
  476   1HB   ASP  56          1HB       ASP  56  27.652  -6.217  -6.217
  477   2HB   ASP  56          2HB       ASP  56  27.840  -5.993  -5.993
  478    H    SER  57           H        SER  57  26.411  -4.463  -4.463
  479    HA   SER  57           HA       SER  57  24.373  -2.902  -2.902
  480   1HB   SER  57          1HB       SER  57  26.274  -2.024  -2.024
  481   2HB   SER  57          2HB       SER  57  25.209  -0.947  -0.947
  482    HG   SER  57           HG       SER  57  26.239  -1.642  -1.642

  Start of MODEL    2
    1   1H    THR   1          2H        THR   1 -11.786   3.710   3.710
    2   2H    THR   1          3H        THR   1 -11.969   4.121   4.121
    3   3H    THR   1          1H        THR   1 -10.927   4.972   4.972
    4    HA   THR   1           HA       THR   1  -9.525   3.101   3.101
    5    HB   THR   1           HB       THR   1 -10.166   3.921   3.921
    6    HG1  THR   1           HG1      THR   1  -9.398   5.446   5.446
    7   1HG2  THR   1          3HG2      THR   1  -7.578   2.408   2.408
    8   2HG2  THR   1          1HG2      THR   1  -7.937   3.211   3.211
    9   3HG2  THR   1          2HG2      THR   1  -8.876   1.802   1.802
   10    HA   PRO   2           HA       PRO   2 -12.513  -0.389  -0.389
   11   1HB   PRO   2          1HB       PRO   2 -11.315  -2.414  -2.414
   12   2HB   PRO   2          2HB       PRO   2 -12.017  -0.993  -0.993
   13   1HG   PRO   2          1HG       PRO   2  -9.086  -1.454  -1.454
   14   2HG   PRO   2          2HG       PRO   2  -9.787  -0.878  -0.878
   15   1HD   PRO   2          1HD       PRO   2  -8.732   0.845   0.845
   16   2HD   PRO   2          2HD       PRO   2 -10.148   1.323   1.323
   17    H    ASP   3           H        ASP   3 -12.376  -0.644  -0.644
   18    HA   ASP   3           HA       ASP   3 -10.256  -2.420  -2.420
   19   1HB   ASP   3          1HB       ASP   3 -10.780  -0.062  -0.062
   20   2HB   ASP   3          2HB       ASP   3 -12.389  -0.592  -0.592
   21    H    VAL   4           H        VAL   4 -10.643  -4.368  -4.368
   22    HA   VAL   4           HA       VAL   4 -13.465  -5.376  -5.376
   23    HB   VAL   4           HB       VAL   4 -12.914  -5.771  -5.771
   24   1HG1  VAL   4          3HG1      VAL   4 -10.445  -6.224  -6.224
   25   2HG1  VAL   4          1HG1      VAL   4 -10.758  -7.818  -7.818
   26   3HG1  VAL   4          2HG1      VAL   4 -11.363  -7.444  -7.444
   27   1HG2  VAL   4          1HG2      VAL   4 -14.553  -7.194  -7.194
   28   2HG2  VAL   4          2HG2      VAL   4 -13.789  -8.034  -8.034
   29   3HG2  VAL   4          3HG2      VAL   4 -13.277  -8.398  -8.398
   30    H    SER   5           H        SER   5 -11.398  -7.890  -7.890
   31    HA   SER   5           HA       SER   5 -11.066  -9.439  -9.439
   32   1HB   SER   5          1HB       SER   5  -9.171  -7.962  -7.962
   33   2HB   SER   5          2HB       SER   5 -10.239  -7.117  -7.117
   34    HG   SER   5           HG       SER   5  -9.675  -9.903  -9.903
   35    H    SER   6           H        SER   6 -13.469  -9.209  -9.209
   36    HA   SER   6           HA       SER   6 -15.698  -9.126  -9.126
   37   1HB   SER   6          1HB       SER   6 -15.256 -11.049 -11.049
   38   2HB   SER   6          2HB       SER   6 -15.041  -9.999  -9.999
   39    HG   SER   6           HG       SER   6 -17.177  -9.244  -9.244
   40    H    ALA   7           H        ALA   7 -15.105  -6.772  -6.772
   41    HA   ALA   7           HA       ALA   7 -16.735  -5.125  -5.125
   42   1HB   ALA   7          2HB       ALA   7 -14.362  -4.399  -4.399
   43   2HB   ALA   7          3HB       ALA   7 -14.238  -4.020  -4.020
   44   3HB   ALA   7          1HB       ALA   7 -15.362  -3.109  -3.109
   45    H    LEU   8           H        LEU   8 -15.398  -5.012  -5.012
   46    HA   LEU   8           HA       LEU   8 -17.870  -3.942  -3.942
   47   1HB   LEU   8          1HB       LEU   8 -15.530  -3.836  -3.836
   48   2HB   LEU   8          2HB       LEU   8 -15.580  -5.554  -5.554
   49    HG   LEU   8           HG       LEU   8 -17.469  -5.283  -5.283
   50   1HD1  LEU   8          1HD1      LEU   8 -17.149  -2.232  -2.232
   51   2HD1  LEU   8          2HD1      LEU   8 -18.124  -3.028  -3.028
   52   3HD1  LEU   8          3HD1      LEU   8 -18.575  -3.195  -3.195
   53   1HD2  LEU   8          3HD2      LEU   8 -15.105  -5.291  -5.291
   54   2HD2  LEU   8          1HD2      LEU   8 -16.118  -4.254  -4.254
   55   3HD2  LEU   8          2HD2      LEU   8 -15.015  -3.521  -3.521
   56    H    ASP   9           H        ASP   9 -16.852  -7.213  -7.213
   57    HA   ASP   9           HA       ASP   9 -18.982  -8.616  -8.616
   58   1HB   ASP   9          1HB       ASP   9 -16.808  -9.664  -9.664
   59   2HB   ASP   9          2HB       ASP   9 -17.810  -9.759  -9.759
   60    H    LYS  10           H        LYS  10 -18.899  -7.710  -7.710
   61    HA   LYS  10           HA       LYS  10 -21.727  -8.512  -8.512
   62   1HB   LYS  10          2HB       LYS  10 -21.513  -7.932  -7.932
   63   2HB   LYS  10          1HB       LYS  10 -20.121  -8.856  -8.856
   64   1HG   LYS  10          1HG       LYS  10 -18.796  -6.624  -6.624
   65   2HG   LYS  10          2HG       LYS  10 -20.211  -5.826  -5.826
   66   1HD   LYS  10          1HD       LYS  10 -20.053  -7.393  -7.393
   67   2HD   LYS  10          2HD       LYS  10 -18.560  -8.052  -8.052
   68   1HE   LYS  10          1HE       LYS  10 -17.542  -5.688  -5.688
   69   2HE   LYS  10          2HE       LYS  10 -19.031  -5.088  -5.088
   70   1HZ   LYS  10          3HZ       LYS  10 -18.645  -6.607  -6.607
   71   2HZ   LYS  10          1HZ       LYS  10 -17.254  -7.171  -7.171
   72   3HZ   LYS  10          2HZ       LYS  10 -17.357  -5.593  -5.593
   73    H    LEU  11           H        LEU  11 -20.162  -5.294  -5.294
   74    HA   LEU  11           HA       LEU  11 -22.746  -3.830  -3.830
   75   1HB   LEU  11          1HB       LEU  11 -20.062  -2.693  -2.693
   76   2HB   LEU  11          2HB       LEU  11 -21.464  -1.775  -1.775
   77    HG   LEU  11           HG       LEU  11 -19.872  -3.637  -3.637
   78   1HD1  LEU  11          2HD1      LEU  11 -18.472  -1.737  -1.737
   79   2HD1  LEU  11          3HD1      LEU  11 -19.724  -0.570  -0.570
   80   3HD1  LEU  11          1HD1      LEU  11 -18.893  -1.557  -1.557
   81   1HD2  LEU  11          2HD2      LEU  11 -22.081  -1.579  -1.579
   82   2HD2  LEU  11          3HD2      LEU  11 -22.220  -3.349  -3.349
   83   3HD2  LEU  11          1HD2      LEU  11 -21.097  -2.477  -2.477
   84    H    LYS  12           H        LYS  12 -20.498  -4.107  -4.107
   85    HA   LYS  12           HA       LYS  12 -20.778  -4.218  -4.218
   86   1HB   LYS  12          1HB       LYS  12 -22.382  -5.601  -5.601
   87   2HB   LYS  12          2HB       LYS  12 -21.680  -6.298  -6.298
   88   1HG   LYS  12          1HG       LYS  12 -23.814  -5.837  -5.837
   89   2HG   LYS  12          2HG       LYS  12 -24.536  -5.172  -5.172
   90   1HD   LYS  12          1HD       LYS  12 -24.134  -7.445  -7.445
   91   2HD   LYS  12          2HD       LYS  12 -23.438  -8.036  -8.036
   92   1HE   LYS  12          1HE       LYS  12 -25.691  -8.868  -8.868
   93   2HE   LYS  12          2HE       LYS  12 -25.655  -7.637  -7.637
   94   1HZ   LYS  12          2HZ       LYS  12 -26.685  -7.242  -7.242
   95   2HZ   LYS  12          3HZ       LYS  12 -27.605  -7.417  -7.417
   96   3HZ   LYS  12          1HZ       LYS  12 -26.661  -6.075  -6.075
   97    H    GLU  13           H        GLU  13 -24.051  -3.040  -3.040
   98    HA   GLU  13           HA       GLU  13 -23.682  -0.999  -0.999
   99   1HB   GLU  13          1HB       GLU  13 -26.031  -0.311  -0.311
  100   2HB   GLU  13          2HB       GLU  13 -25.781  -1.954  -1.954
  101   1HG   GLU  13          1HG       GLU  13 -27.616  -2.057  -2.057
  102   2HG   GLU  13          2HG       GLU  13 -26.299  -2.797  -2.797
  103    H    PHE  14           H        PHE  14 -24.109  -1.025  -1.025
  104    HA   PHE  14           HA       PHE  14 -23.421   1.863   1.863
  105   1HB   PHE  14          1HB       PHE  14 -24.782   0.554   0.554
  106   2HB   PHE  14          2HB       PHE  14 -23.377  -0.398  -0.398
  107    HD1  PHE  14           HD1      PHE  14 -24.747   3.127   3.127
  108    HD2  PHE  14           HD2      PHE  14 -21.752   0.505   0.505
  109    HE1  PHE  14           HE1      PHE  14 -24.133   4.839   4.839
  110    HE2  PHE  14           HE2      PHE  14 -21.151   2.226   2.226
  111    HZ   PHE  14           HZ       PHE  14 -22.340   4.394   4.394
  112    H    GLY  15           H        GLY  15 -21.569  -1.153  -1.153
  113   1HA   GLY  15          1HA       GLY  15 -18.932  -0.116  -0.116
  114   2HA   GLY  15          2HA       GLY  15 -19.152  -1.556  -1.556
  115    H    ASN  16           H        ASN  16 -20.166  -0.776  -0.776
  116    HA   ASN  16           HA       ASN  16 -17.904   0.347   0.347
  117   1HB   ASN  16          1HB       ASN  16 -19.794  -1.247  -1.247
  118   2HB   ASN  16          2HB       ASN  16 -20.759   0.173   0.173
  119   1HD2  ASN  16          1HD2      ASN  16 -17.656  -0.647  -0.647
  120   2HD2  ASN  16          2HD2      ASN  16 -17.829  -1.527  -1.527
  121    H    THR  17           H        THR  17 -20.916   2.068   2.068
  122    HA   THR  17           HA       THR  17 -20.374   4.470   4.470
  123    HB   THR  17           HB       THR  17 -22.623   3.847   3.847
  124    HG1  THR  17           HG1      THR  17 -23.210   5.981   5.981
  125   1HG2  THR  17          2HG2      THR  17 -22.213   3.366   3.366
  126   2HG2  THR  17          3HG2      THR  17 -21.994   5.116   5.116
  127   3HG2  THR  17          1HG2      THR  17 -23.554   4.490   4.490
  128    H    LEU  18           H        LEU  18 -19.641   3.876   3.876
  129    HA   LEU  18           HA       LEU  18 -17.437   6.003   6.003
  130   1HB   LEU  18          1HB       LEU  18 -17.155   6.084   6.084
  131   2HB   LEU  18          2HB       LEU  18 -18.754   6.563   6.563
  132    HG   LEU  18           HG       LEU  18 -18.469   3.643   3.643
  133   1HD1  LEU  18          2HD1      LEU  18 -16.971   4.710   4.710
  134   2HD1  LEU  18          3HD1      LEU  18 -18.250   5.864   5.864
  135   3HD1  LEU  18          1HD1      LEU  18 -18.459   4.121   4.121
  136   1HD2  LEU  18          3HD2      LEU  18 -20.730   4.642   4.642
  137   2HD2  LEU  18          1HD2      LEU  18 -20.671   4.049   4.049
  138   3HD2  LEU  18          2HD2      LEU  18 -20.549   5.798   5.798
  139    H    GLU  19           H        GLU  19 -17.288   3.652   3.652
  140    HA   GLU  19           HA       GLU  19 -14.331   3.670   3.670
  141   1HB   GLU  19          1HB       GLU  19 -15.778   1.410   1.410
  142   2HB   GLU  19          2HB       GLU  19 -14.070   1.544   1.544
  143   1HG   GLU  19          1HG       GLU  19 -13.794   0.989   0.989
  144   2HG   GLU  19          2HG       GLU  19 -15.466   1.296   1.296
  145    H    ASP  20           H        ASP  20 -15.559   5.737   5.737
  146    HA   ASP  20           HA       ASP  20 -14.519   6.262   6.262
  147   1HB   ASP  20          1HB       ASP  20 -16.590   4.829   4.829
  148   2HB   ASP  20          2HB       ASP  20 -17.612   6.059   6.059
  149    H    LYS  21           H        LYS  21 -17.190   7.338   7.338
  150    HA   LYS  21           HA       LYS  21 -16.101  10.121  10.121
  151   1HB   LYS  21          1HB       LYS  21 -17.520  10.747  10.747
  152   2HB   LYS  21          2HB       LYS  21 -18.461   9.913   9.913
  153   1HG   LYS  21          1HG       LYS  21 -18.707   7.938   7.938
  154   2HG   LYS  21          2HG       LYS  21 -17.664   8.676   8.676
  155   1HD   LYS  21          1HD       LYS  21 -19.300  10.625  10.625
  156   2HD   LYS  21          2HD       LYS  21 -20.350   9.832   9.832
  157   1HE   LYS  21          1HE       LYS  21 -20.635   7.866   7.866
  158   2HE   LYS  21          2HE       LYS  21 -19.563   8.651   8.651
  159   1HZ   LYS  21          3HZ       LYS  21 -22.156   9.759   9.759
  160   2HZ   LYS  21          1HZ       LYS  21 -21.891   9.060   9.060
  161   3HZ   LYS  21          2HZ       LYS  21 -21.161  10.493  10.493
  162    H    ALA  22           H        ALA  22 -15.662   7.162   7.162
  163    HA   ALA  22           HA       ALA  22 -13.251   8.421   8.421
  164   1HB   ALA  22          1HB       ALA  22 -14.712   6.871   6.871
  165   2HB   ALA  22          2HB       ALA  22 -14.223   5.546   5.546
  166   3HB   ALA  22          3HB       ALA  22 -13.006   6.360   6.360
  167    H    ARG  23           H        ARG  23 -13.047   8.515   8.515
  168    HA   ARG  23           HA       ARG  23 -10.508   6.899   6.899
  169   1HB   ARG  23          1HB       ARG  23 -12.388   6.553   6.553
  170   2HB   ARG  23          2HB       ARG  23 -12.253   8.234   8.234
  171   1HG   ARG  23          1HG       ARG  23  -9.896   7.844   7.844
  172   2HG   ARG  23          2HG       ARG  23  -9.948   6.180   6.180
  173   1HD   ARG  23          1HD       ARG  23 -11.780   7.377   7.377
  174   2HD   ARG  23          2HD       ARG  23 -10.302   6.462   6.462
  175    HE   ARG  23           HE       ARG  23 -11.866   4.692   4.692
  176   1HH1  ARG  23          1HH1      ARG  23 -12.324   6.297   6.297
  177   2HH1  ARG  23          2HH1      ARG  23 -13.431   4.939   4.939
  178   1HH2  ARG  23          1HH2      ARG  23 -13.138   3.207   3.207
  179   2HH2  ARG  23          2HH2      ARG  23 -13.859   3.308   3.308
  180    H    GLU  24           H        GLU  24 -11.846  10.133  10.133
  181    HA   GLU  24           HA       GLU  24  -9.337  11.590  11.590
  182   1HB   GLU  24          1HB       GLU  24 -12.235  12.607  12.607
  183   2HB   GLU  24          2HB       GLU  24 -10.831  13.659  13.659
  184   1HG   GLU  24          1HG       GLU  24 -10.230  12.779  12.779
  185   2HG   GLU  24          2HG       GLU  24 -11.621  11.701  11.701
  186    H    LEU  25           H        LEU  25 -11.643  10.775  10.775
  187    HA   LEU  25           HA       LEU  25 -10.322  12.531  12.531
  188   1HB   LEU  25          2HB       LEU  25 -12.289  10.194  10.194
  189   2HB   LEU  25          1HB       LEU  25 -11.388  10.781  10.781
  190    HG   LEU  25           HG       LEU  25 -12.269  13.152  13.152
  191   1HD1  LEU  25          3HD1      LEU  25 -13.221  12.782  12.782
  192   2HD1  LEU  25          1HD1      LEU  25 -14.431  11.675  11.675
  193   3HD1  LEU  25          2HD1      LEU  25 -14.426  13.391  13.391
  194   1HD2  LEU  25          3HD2      LEU  25 -13.043  11.734  11.734
  195   2HD2  LEU  25          1HD2      LEU  25 -14.385  12.692  12.692
  196   3HD2  LEU  25          2HD2      LEU  25 -14.264  10.957  10.957
  197    H    ILE  26           H        ILE  26  -9.843   9.101   9.101
  198    HA   ILE  26           HA       ILE  26  -7.719   8.572   8.572
  199    HB   ILE  26           HB       ILE  26  -8.193   7.077   7.077
  200   1HG1  ILE  26          1HG1      ILE  26 -10.300   6.939   6.939
  201   2HG1  ILE  26          2HG1      ILE  26  -9.516   5.384   5.384
  202   1HG2  ILE  26          2HG2      ILE  26  -5.995   6.493   6.493
  203   2HG2  ILE  26          3HG2      ILE  26  -6.722   6.143   6.143
  204   3HG2  ILE  26          1HG2      ILE  26  -7.093   5.121   5.121
  205   1HD1  ILE  26          1HD1      ILE  26  -9.737   7.385   7.385
  206   2HD1  ILE  26          2HD1      ILE  26 -10.667   5.885   5.885
  207   3HD1  ILE  26          3HD1      ILE  26  -8.915   5.802   5.802
  208    H    SER  27           H        SER  27  -7.607   9.651   9.651
  209    HA   SER  27           HA       SER  27  -4.726   9.844   9.844
  210   1HB   SER  27          1HB       SER  27  -6.900  11.605  11.605
  211   2HB   SER  27          2HB       SER  27  -5.207  11.550  11.550
  212    HG   SER  27           HG       SER  27  -6.510  10.172  10.172
  213    H    ARG  28           H        ARG  28  -6.956  12.341  12.341
  214    HA   ARG  28           HA       ARG  28  -4.652  14.156  14.156
  215   1HB   ARG  28          1HB       ARG  28  -7.045  14.884  14.884
  216   2HB   ARG  28          2HB       ARG  28  -7.574  14.515  14.515
  217   1HG   ARG  28          1HG       ARG  28  -5.872  16.228  16.228
  218   2HG   ARG  28          2HG       ARG  28  -5.347  16.519  16.519
  219   1HD   ARG  28          1HD       ARG  28  -7.702  17.288  17.288
  220   2HD   ARG  28          2HD       ARG  28  -8.213  17.026  17.026
  221    HE   ARG  28           HE       ARG  28  -6.539  19.291  19.291
  222   1HH1  ARG  28          1HH1      ARG  28  -7.495  17.594  17.594
  223   2HH1  ARG  28          2HH1      ARG  28  -7.078  19.080  19.080
  224   1HH2  ARG  28          1HH2      ARG  28  -6.100  20.916  20.916
  225   2HH2  ARG  28          2HH2      ARG  28  -6.342  20.832  20.832
  226    H    ILE  29           H        ILE  29  -6.063  11.473  11.473
  227    HA   ILE  29           HA       ILE  29  -5.044  12.442  12.442
  228    HB   ILE  29           HB       ILE  29  -6.918  10.225  10.225
  229   1HG1  ILE  29          1HG1      ILE  29  -7.907  12.488  12.488
  230   2HG1  ILE  29          2HG1      ILE  29  -8.587  11.320  11.320
  231   1HG2  ILE  29          1HG2      ILE  29  -5.763  10.444  10.444
  232   2HG2  ILE  29          2HG2      ILE  29  -7.229   9.513   9.513
  233   3HG2  ILE  29          3HG2      ILE  29  -5.661   9.066   9.066
  234   1HD1  ILE  29          3HD1      ILE  29  -7.213  12.320  12.320
  235   2HD1  ILE  29          1HD1      ILE  29  -6.558  13.523  13.523
  236   3HD1  ILE  29          2HD1      ILE  29  -8.299  13.504  13.504
  237    H    LYS  30           H        LYS  30  -4.920   9.278   9.278
  238    HA   LYS  30           HA       LYS  30  -2.258   8.680   8.680
  239   1HB   LYS  30          1HB       LYS  30  -3.650   7.283   7.283
  240   2HB   LYS  30          2HB       LYS  30  -2.230   6.667   6.667
  241   1HG   LYS  30          1HG       LYS  30  -5.031   6.938   6.938
  242   2HG   LYS  30          2HG       LYS  30  -4.222   5.462   5.462
  243   1HD   LYS  30          1HD       LYS  30  -3.425   7.303   7.303
  244   2HD   LYS  30          2HD       LYS  30  -4.284   5.776   5.776
  245   1HE   LYS  30          1HE       LYS  30  -2.256   4.541   4.541
  246   2HE   LYS  30          2HE       LYS  30  -1.375   6.074   6.074
  247   1HZ   LYS  30          2HZ       LYS  30  -1.635   6.323   6.323
  248   2HZ   LYS  30          3HZ       LYS  30  -2.454   4.892   4.892
  249   3HZ   LYS  30          1HZ       LYS  30  -0.869   4.905   4.905
  250    H    GLN  31           H        GLN  31  -2.791  10.683  10.683
  251    HA   GLN  31           HA       GLN  31   0.101  11.131  11.131
  252   1HB   GLN  31          1HB       GLN  31  -1.483  10.895  10.895
  253   2HB   GLN  31          2HB       GLN  31  -0.021  11.838  11.838
  254   1HG   GLN  31          1HG       GLN  31   1.277   9.781   9.781
  255   2HG   GLN  31          2HG       GLN  31  -0.181   8.816   8.816
  256   1HE2  GLN  31          2HE2      GLN  31   1.902   9.733   9.733
  257   2HE2  GLN  31          1HE2      GLN  31   2.392  10.359  10.359
  258    H    SER  32           H        SER  32  -1.239  12.439  12.439
  259    HA   SER  32           HA       SER  32  -2.512  14.893  14.893
  260   1HB   SER  32          1HB       SER  32  -2.753  13.842  13.842
  261   2HB   SER  32          2HB       SER  32  -1.112  14.363  14.363
  262    HG   SER  32           HG       SER  32  -1.805  16.509  16.509
  263    H    GLU  33           H        GLU  33  -1.800  16.986  16.986
  264    HA   GLU  33           HA       GLU  33   1.133  17.492  17.492
  265   1HB   GLU  33          1HB       GLU  33   0.612  19.580  19.580
  266   2HB   GLU  33          2HB       GLU  33  -0.493  18.432  18.432
  267   1HG   GLU  33          1HG       GLU  33  -1.179  20.464  20.464
  268   2HG   GLU  33          2HG       GLU  33  -1.461  20.698  20.698
  269    H    LEU  34           H        LEU  34   0.090  16.952  16.952
  270    HA   LEU  34           HA       LEU  34   1.646  19.060  19.060
  271   1HB   LEU  34          1HB       LEU  34  -0.376  17.979  17.979
  272   2HB   LEU  34          2HB       LEU  34   0.364  16.425  16.425
  273    HG   LEU  34           HG       LEU  34   0.797  18.577  18.577
  274   1HD1  LEU  34          2HD1      LEU  34  -0.302  16.357  16.357
  275   2HD1  LEU  34          3HD1      LEU  34   1.220  15.516  15.516
  276   3HD1  LEU  34          1HD1      LEU  34   1.126  16.612  16.612
  277   1HD2  LEU  34          3HD2      LEU  34   3.128  18.683  18.683
  278   2HD2  LEU  34          1HD2      LEU  34   3.072  17.986  17.986
  279   3HD2  LEU  34          2HD2      LEU  34   3.307  16.922  16.922
  280    H    SER  35           H        SER  35   1.517  15.563  15.563
  281    HA   SER  35           HA       SER  35   4.558  15.300  15.300
  282   1HB   SER  35          1HB       SER  35   2.287  13.258  13.258
  283   2HB   SER  35          2HB       SER  35   4.016  12.867  12.867
  284    HG   SER  35           HG       SER  35   2.633  14.498  14.498
  285    H    ALA  36           H        ALA  36   5.026  16.049  16.049
  286    HA   ALA  36           HA       ALA  36   4.499  14.319  14.319
  287   1HB   ALA  36          2HB       ALA  36   4.017  16.704  16.704
  288   2HB   ALA  36          3HB       ALA  36   5.660  17.168  17.168
  289   3HB   ALA  36          1HB       ALA  36   5.424  16.150  16.150
  290    H    LYS  37           H        LYS  37   6.916  15.565  15.565
  291    HA   LYS  37           HA       LYS  37   9.186  13.992  13.992
  292   1HB   LYS  37          1HB       LYS  37   9.296  15.934  15.934
  293   2HB   LYS  37          2HB       LYS  37  10.651  14.967  14.967
  294   1HG   LYS  37          1HG       LYS  37   9.260  17.100  17.100
  295   2HG   LYS  37          2HG       LYS  37  10.716  17.344  17.344
  296   1HD   LYS  37          1HD       LYS  37  11.934  15.593  15.593
  297   2HD   LYS  37          2HD       LYS  37  10.486  15.335  15.335
  298   1HE   LYS  37          1HE       LYS  37  10.553  17.759  17.759
  299   2HE   LYS  37          2HE       LYS  37  12.019  18.014  18.014
  300   1HZ   LYS  37          2HZ       LYS  37  11.756  16.068  16.068
  301   2HZ   LYS  37          3HZ       LYS  37  12.542  17.520  17.520
  302   3HZ   LYS  37          1HZ       LYS  37  13.126  16.304  16.304
  303    H    MET  38           H        MET  38   7.299  14.067  14.067
  304    HA   MET  38           HA       MET  38   8.336  11.571  11.571
  305   1HB   MET  38          1HB       MET  38   7.424  13.447  13.447
  306   2HB   MET  38          2HB       MET  38   5.928  13.469  13.469
  307   1HG   MET  38          1HG       MET  38   5.810  12.647  12.647
  308   2HG   MET  38          2HG       MET  38   5.039  11.637  11.637
  309   1HE   MET  38          3HE       MET  38   7.966  11.910  11.910
  310   2HE   MET  38          2HE       MET  38   8.995  10.495  10.495
  311   3HE   MET  38          1HE       MET  38   8.969  11.902  11.902
  312    H    ARG  39           H        ARG  39   5.837  12.163  12.163
  313    HA   ARG  39           HA       ARG  39   5.077   9.236   9.236
  314   1HB   ARG  39          1HB       ARG  39   3.998  11.549  11.549
  315   2HB   ARG  39          2HB       ARG  39   4.116  10.042  10.042
  316   1HG   ARG  39          1HG       ARG  39   1.964   9.954   9.954
  317   2HG   ARG  39          2HG       ARG  39   2.887   8.833   8.833
  318   1HD   ARG  39          1HD       ARG  39   3.099  10.862  10.862
  319   2HD   ARG  39          2HD       ARG  39   1.842  11.633  11.633
  320    HE   ARG  39           HE       ARG  39   1.358   8.825   8.825
  321   1HH1  ARG  39          1HH1      ARG  39   0.616  12.283  12.283
  322   2HH1  ARG  39          2HH1      ARG  39  -0.755  11.883  11.883
  323   1HH2  ARG  39          1HH2      ARG  39  -0.248   8.486   8.486
  324   2HH2  ARG  39          2HH2      ARG  39  -1.208   9.879   9.879
  325    H    GLU  40           H        GLU  40   7.345  11.229  11.229
  326    HA   GLU  40           HA       GLU  40   8.387   9.053   9.053
  327   1HB   GLU  40          1HB       GLU  40   9.681  11.603  11.603
  328   2HB   GLU  40          2HB       GLU  40  10.574  10.446  10.446
  329   1HG   GLU  40          1HG       GLU  40   9.087  10.683  10.683
  330   2HG   GLU  40          2HG       GLU  40   7.915  11.607  11.607
  331    H    TRP  41           H        TRP  41   9.247  10.109  10.109
  332    HA   TRP  41           HA       TRP  41  11.219   7.988   7.988
  333   1HB   TRP  41          1HB       TRP  41  11.063  10.173  10.173
  334   2HB   TRP  41          2HB       TRP  41   9.518   9.705   9.705
  335    HD1  TRP  41           HD1      TRP  41  13.301   9.220   9.220
  336    HE1  TRP  41           HE1      TRP  41  13.820   7.939   7.939
  337    HE3  TRP  41           HE3      TRP  41   8.513   7.743   7.743
  338    HZ2  TRP  41           HZ2      TRP  41  12.178   6.507   6.507
  339    HZ3  TRP  41           HZ3      TRP  41   8.044   6.408   6.408
  340    HH2  TRP  41           HH2      TRP  41   9.845   5.797   5.797
  341    H    PHE  42           H        PHE  42   7.619   8.022   8.022
  342    HA   PHE  42           HA       PHE  42   7.518   5.455   5.455
  343   1HB   PHE  42          1HB       PHE  42   5.316   6.783   6.783
  344   2HB   PHE  42          2HB       PHE  42   5.081   5.314   5.314
  345    HD1  PHE  42           HD2      PHE  42   6.299   5.813   5.813
  346    HD2  PHE  42           HD1      PHE  42   3.853   8.316   8.316
  347    HE1  PHE  42           HE2      PHE  42   5.512   7.040   7.040
  348    HE2  PHE  42           HE1      PHE  42   3.085   9.534   9.534
  349    HZ   PHE  42           HZ       PHE  42   3.908   8.902   8.902
  350    H    SER  43           H        SER  43   7.655   6.245   6.245
  351    HA   SER  43           HA       SER  43   7.216   3.458   3.458
  352   1HB   SER  43          1HB       SER  43   8.374   5.930   5.930
  353   2HB   SER  43          2HB       SER  43   8.068   4.365   4.365
  354    HG   SER  43           HG       SER  43   6.358   5.808   5.808
  355    H    GLU  44           H        GLU  44  10.105   5.549   5.549
  356    HA   GLU  44           HA       GLU  44  12.101   3.517   3.517
  357   1HB   GLU  44          1HB       GLU  44  12.293   6.081   6.081
  358   2HB   GLU  44          2HB       GLU  44  13.686   5.089   5.089
  359   1HG   GLU  44          1HG       GLU  44  12.005   6.438   6.438
  360   2HG   GLU  44          2HG       GLU  44  13.500   7.058   7.058
  361    H    THR  45           H        THR  45  10.703   4.310   4.310
  362    HA   THR  45           HA       THR  45  12.338   2.374   2.374
  363    HB   THR  45           HB       THR  45   9.687   3.660   3.660
  364    HG1  THR  45           HG1      THR  45  11.054   5.061   5.061
  365   1HG2  THR  45          3HG2      THR  45  11.820   2.356   2.356
  366   2HG2  THR  45          1HG2      THR  45  10.405   3.285   3.285
  367   3HG2  THR  45          2HG2      THR  45  10.173   1.734   1.734
  368    H    PHE  46           H        PHE  46   9.070   2.118   2.118
  369    HA   PHE  46           HA       PHE  46   8.538  -0.673  -0.673
  370   1HB   PHE  46          1HB       PHE  46   6.807   0.922   0.922
  371   2HB   PHE  46          2HB       PHE  46   7.585   1.032   1.032
  372    HD1  PHE  46           HD2      PHE  46   5.987  -1.503  -1.503
  373    HD2  PHE  46           HD1      PHE  46   6.851  -0.452  -0.452
  374    HE1  PHE  46           HE2      PHE  46   4.580  -3.363  -3.363
  375    HE2  PHE  46           HE1      PHE  46   5.427  -2.303  -2.303
  376    HZ   PHE  46           HZ       PHE  46   4.295  -3.765  -3.765
  377    H    GLN  47           H        GLN  47  10.147   0.667   0.667
  378    HA   GLN  47           HA       GLN  47  10.875  -1.926  -1.926
  379   1HB   GLN  47          1HB       GLN  47  12.134   0.871   0.871
  380   2HB   GLN  47          2HB       GLN  47  12.628  -0.517  -0.517
  381   1HG   GLN  47          1HG       GLN  47  10.415  -0.734  -0.734
  382   2HG   GLN  47          2HG       GLN  47   9.722   0.496   0.496
  383   1HE2  GLN  47          2HE2      GLN  47  11.826   1.747   1.747
  384   2HE2  GLN  47          1HE2      GLN  47  11.674  -0.026  -0.026
  385    H    LYS  48           H        LYS  48  12.599   0.046   0.046
  386    HA   LYS  48           HA       LYS  48  15.114  -1.431  -1.431
  387   1HB   LYS  48          1HB       LYS  48  14.722   0.819   0.819
  388   2HB   LYS  48          2HB       LYS  48  13.680   0.116   0.116
  389   1HG   LYS  48          1HG       LYS  48  15.653  -1.166  -1.166
  390   2HG   LYS  48          2HG       LYS  48  16.664  -0.551  -0.551
  391   1HD   LYS  48          1HD       LYS  48  17.157   0.784   0.784
  392   2HD   LYS  48          2HD       LYS  48  16.319   1.793   1.793
  393   1HE   LYS  48          1HE       LYS  48  15.390   2.356   2.356
  394   2HE   LYS  48          2HE       LYS  48  14.113   1.499   1.499
  395   1HZ   LYS  48          1HZ       LYS  48  15.986   0.291   0.291
  396   2HZ   LYS  48          2HZ       LYS  48  14.405   0.692   0.692
  397   3HZ   LYS  48          3HZ       LYS  48  14.785  -0.532  -0.532
  398    H    VAL  49           H        VAL  49  12.125  -1.977  -1.977
  399    HA   VAL  49           HA       VAL  49  13.154  -4.462  -4.462
  400    HB   VAL  49           HB       VAL  49  10.198  -3.813  -3.813
  401   1HG1  VAL  49          3HG1      VAL  49  10.737  -6.113  -6.113
  402   2HG1  VAL  49          1HG1      VAL  49  11.711  -5.412  -5.412
  403   3HG1  VAL  49          2HG1      VAL  49   9.951  -5.136  -5.136
  404   1HG2  VAL  49          1HG2      VAL  49  12.058  -2.795  -2.795
  405   2HG2  VAL  49          2HG2      VAL  49  11.210  -1.778  -1.778
  406   3HG2  VAL  49          3HG2      VAL  49  10.278  -2.692  -2.692
  407    H    LYS  50           H        LYS  50  10.745  -3.938  -3.938
  408    HA   LYS  50           HA       LYS  50  10.245  -6.647  -6.647
  409   1HB   LYS  50          1HB       LYS  50   8.957  -4.560  -4.560
  410   2HB   LYS  50          2HB       LYS  50  10.096  -4.345  -4.345
  411   1HG   LYS  50          1HG       LYS  50   9.354  -6.655  -6.655
  412   2HG   LYS  50          2HG       LYS  50   8.254  -6.767  -6.767
  413   1HD   LYS  50          1HD       LYS  50   6.782  -5.934  -5.934
  414   2HD   LYS  50          2HD       LYS  50   7.322  -4.407  -4.407
  415   1HE   LYS  50          1HE       LYS  50   8.881  -4.047  -4.047
  416   2HE   LYS  50          2HE       LYS  50   8.530  -5.636  -5.636
  417   1HZ   LYS  50          1HZ       LYS  50   6.547  -3.430  -3.430
  418   2HZ   LYS  50          2HZ       LYS  50   7.238  -3.928  -3.928
  419   3HZ   LYS  50          3HZ       LYS  50   6.202  -4.928  -4.928
  420    H    GLU  51           H        GLU  51  12.551  -4.634  -4.634
  421    HA   GLU  51           HA       GLU  51  13.543  -6.885  -6.885
  422   1HB   GLU  51          1HB       GLU  51  14.848  -4.150  -4.150
  423   2HB   GLU  51          2HB       GLU  51  15.401  -5.312  -5.312
  424   1HG   GLU  51          1HG       GLU  51  12.646  -3.929  -3.929
  425   2HG   GLU  51          2HG       GLU  51  14.059  -3.468  -3.468
  426    H    LYS  52           H        LYS  52  14.236  -6.298  -6.298
  427    HA   LYS  52           HA       LYS  52  16.744  -8.043  -8.043
  428   1HB   LYS  52          1HB       LYS  52  15.457  -6.652  -6.652
  429   2HB   LYS  52          2HB       LYS  52  16.775  -7.792  -7.792
  430   1HG   LYS  52          1HG       LYS  52  16.880  -5.079  -5.079
  431   2HG   LYS  52          2HG       LYS  52  17.515  -5.414  -5.414
  432   1HD   LYS  52          1HD       LYS  52  18.563  -6.622  -6.622
  433   2HD   LYS  52          2HD       LYS  52  19.271  -5.279  -5.279
  434   1HE   LYS  52          1HE       LYS  52  19.732  -6.803  -6.803
  435   2HE   LYS  52          2HE       LYS  52  19.058  -8.170  -8.170
  436   1HZ   LYS  52          2HZ       LYS  52  21.417  -6.562  -6.562
  437   2HZ   LYS  52          3HZ       LYS  52  21.459  -8.082  -8.082
  438   3HZ   LYS  52          1HZ       LYS  52  20.784  -7.837  -7.837
  439    H    LEU  53           H        LEU  53  13.590  -8.036  -8.036
  440    HA   LEU  53           HA       LEU  53  13.869 -10.923 -10.923
  441   1HB   LEU  53          1HB       LEU  53  12.012  -8.747  -8.747
  442   2HB   LEU  53          2HB       LEU  53  12.016 -10.380 -10.380
  443    HG   LEU  53           HG       LEU  53  14.406  -8.462  -8.462
  444   1HD1  LEU  53          2HD1      LEU  53  12.468  -7.725  -7.725
  445   2HD1  LEU  53          3HD1      LEU  53  12.377  -9.326  -9.326
  446   3HD1  LEU  53          1HD1      LEU  53  13.803  -8.284  -8.284
  447   1HD2  LEU  53          3HD2      LEU  53  14.032 -11.265 -11.265
  448   2HD2  LEU  53          1HD2      LEU  53  15.214 -10.823 -10.823
  449   3HD2  LEU  53          2HD2      LEU  53  15.361 -10.135 -10.135
  450    H    LYS  54           H        LYS  54  10.922  -9.009  -9.009
  451    HA   LYS  54           HA       LYS  54   9.614 -11.562 -11.562
  452   1HB   LYS  54          1HB       LYS  54   8.499  -8.707  -8.707
  453   2HB   LYS  54          2HB       LYS  54   7.595 -10.019 -10.019
  454   1HG   LYS  54          1HG       LYS  54   6.842  -9.884  -9.884
  455   2HG   LYS  54          2HG       LYS  54   7.739 -11.376 -11.376
  456   1HD   LYS  54          1HD       LYS  54   8.148 -10.316 -10.316
  457   2HD   LYS  54          2HD       LYS  54   9.635 -10.439 -10.439
  458   1HE   LYS  54          1HE       LYS  54   9.625  -8.295  -8.295
  459   2HE   LYS  54          2HE       LYS  54   9.500  -7.965  -7.965
  460   1HZ   LYS  54          1HZ       LYS  54   7.223  -7.950  -7.950
  461   2HZ   LYS  54          2HZ       LYS  54   7.955  -6.620  -6.620
  462   3HZ   LYS  54          3HZ       LYS  54   7.086  -7.639  -7.639
  463    H    ILE  55           H        ILE  55  10.311 -12.187 -12.187
  464    HA   ILE  55           HA       ILE  55  10.956 -12.255 -12.255
  465    HB   ILE  55           HB       ILE  55   8.989  -9.971  -9.971
  466   1HG1  ILE  55          1HG1      ILE  55   7.626 -12.081 -12.081
  467   2HG1  ILE  55          2HG1      ILE  55   8.619 -13.029 -13.029
  468   1HG2  ILE  55          2HG2      ILE  55  10.561 -10.229 -10.229
  469   2HG2  ILE  55          3HG2      ILE  55  10.235 -11.976 -11.976
  470   3HG2  ILE  55          1HG2      ILE  55   8.951 -10.798 -10.798
  471   1HD1  ILE  55          1HD1      ILE  55   6.799 -10.668 -10.668
  472   2HD1  ILE  55          2HD1      ILE  55   6.335 -12.385 -12.385
  473   3HD1  ILE  55          3HD1      ILE  55   7.623 -11.804 -11.804
  474    H    ASP  56           H        ASP  56  13.058 -11.849 -11.849
  475    HA   ASP  56           HA       ASP  56  14.194  -9.242  -9.242
  476   1HB   ASP  56          1HB       ASP  56  16.400 -10.179 -10.179
  477   2HB   ASP  56          2HB       ASP  56  15.295 -11.119 -11.119
  478    H    SER  57           H        SER  57  14.692 -11.164 -11.164
  479    HA   SER  57           HA       SER  57  14.944 -10.514 -10.514
  480   1HB   SER  57          1HB       SER  57  13.557  -7.878  -7.878
  481   2HB   SER  57          2HB       SER  57  13.875  -8.464  -8.464
  482    HG   SER  57           HG       SER  57  12.371  -9.808  -9.808

  Start of MODEL    3
    1   1H    THR   1          1H        THR   1 -15.616  -6.265  -6.265
    2   2H    THR   1          2H        THR   1 -17.016  -5.539  -5.539
    3   3H    THR   1          3H        THR   1 -17.058  -6.708  -6.708
    4    HA   THR   1           HA       THR   1 -16.340  -8.402  -8.402
    5    HB   THR   1           HB       THR   1 -18.657  -8.248  -8.248
    6    HG1  THR   1           HG1      THR   1 -18.092  -8.471  -8.471
    7   1HG2  THR   1          2HG2      THR   1 -18.901  -6.184  -6.184
    8   2HG2  THR   1          3HG2      THR   1 -20.245  -7.009  -7.009
    9   3HG2  THR   1          1HG2      THR   1 -19.193  -5.884  -5.884
   10    HA   PRO   2           HA       PRO   2 -14.293  -6.103  -6.103
   11   1HB   PRO   2          1HB       PRO   2 -11.644  -6.840  -6.840
   12   2HB   PRO   2          2HB       PRO   2 -12.367  -5.565  -5.565
   13   1HG   PRO   2          1HG       PRO   2 -11.897  -8.442  -8.442
   14   2HG   PRO   2          2HG       PRO   2 -11.682  -6.969  -6.969
   15   1HD   PRO   2          1HD       PRO   2 -13.917  -8.668  -8.668
   16   2HD   PRO   2          2HD       PRO   2 -14.017  -6.945  -6.945
   17    H    ASP   3           H        ASP   3 -15.647  -7.539  -7.539
   18    HA   ASP   3           HA       ASP   3 -14.401 -10.116 -10.116
   19   1HB   ASP   3          1HB       ASP   3 -17.189  -9.766  -9.766
   20   2HB   ASP   3          2HB       ASP   3 -16.746 -11.174 -11.174
   21    H    VAL   4           H        VAL   4 -14.687 -10.380 -10.380
   22    HA   VAL   4           HA       VAL   4 -16.641  -8.601  -8.601
   23    HB   VAL   4           HB       VAL   4 -14.196  -8.279  -8.279
   24   1HG1  VAL   4          3HG1      VAL   4 -13.347 -10.643 -10.643
   25   2HG1  VAL   4          1HG1      VAL   4 -14.172 -10.932 -10.932
   26   3HG1  VAL   4          2HG1      VAL   4 -12.862  -9.735  -9.735
   27   1HG2  VAL   4          2HG2      VAL   4 -15.907  -7.459  -7.459
   28   2HG2  VAL   4          3HG2      VAL   4 -14.346  -7.825  -7.825
   29   3HG2  VAL   4          1HG2      VAL   4 -15.713  -8.937  -8.937
   30    H    SER   5           H        SER   5 -16.250 -10.459 -10.459
   31    HA   SER   5           HA       SER   5 -17.914 -11.596 -11.596
   32   1HB   SER   5          1HB       SER   5 -18.194 -13.440 -13.440
   33   2HB   SER   5          2HB       SER   5 -18.873 -13.740 -13.740
   34    HG   SER   5           HG       SER   5 -16.128 -13.358 -13.358
   35    H    SER   6           H        SER   6 -18.665  -9.267  -9.267
   36    HA   SER   6           HA       SER   6 -21.633  -9.202  -9.202
   37   1HB   SER   6          1HB       SER   6 -19.942  -8.985  -8.985
   38   2HB   SER   6          2HB       SER   6 -21.546  -8.276  -8.276
   39    HG   SER   6           HG       SER   6 -22.340 -10.334 -10.334
   40    H    ALA   7           H        ALA   7 -18.941  -7.275  -7.275
   41    HA   ALA   7           HA       ALA   7 -18.066  -5.199  -5.199
   42   1HB   ALA   7          2HB       ALA   7 -18.130  -5.610  -5.610
   43   2HB   ALA   7          3HB       ALA   7 -19.763  -4.896  -4.896
   44   3HB   ALA   7          1HB       ALA   7 -18.378  -3.901  -3.901
   45    H    LEU   8           H        LEU   8 -21.448  -5.565  -5.565
   46    HA   LEU   8           HA       LEU   8 -21.701  -3.066  -3.066
   47   1HB   LEU   8          1HB       LEU   8 -22.555  -2.876  -2.876
   48   2HB   LEU   8          2HB       LEU   8 -24.027  -3.358  -3.358
   49    HG   LEU   8           HG       LEU   8 -23.917  -0.970  -0.970
   50   1HD1  LEU   8          3HD1      LEU   8 -25.063  -1.744  -1.744
   51   2HD1  LEU   8          1HD1      LEU   8 -23.562  -1.437  -1.437
   52   3HD1  LEU   8          2HD1      LEU   8 -24.417  -0.093  -0.093
   53   1HD2  LEU   8          3HD2      LEU   8 -21.436  -0.657  -0.657
   54   2HD2  LEU   8          1HD2      LEU   8 -22.216   0.532   0.532
   55   3HD2  LEU   8          2HD2      LEU   8 -21.333  -0.842  -0.842
   56    H    ASP   9           H        ASP   9 -22.976  -6.218  -6.218
   57    HA   ASP   9           HA       ASP   9 -25.127  -6.259  -6.259
   58   1HB   ASP   9          1HB       ASP   9 -24.905  -7.856  -7.856
   59   2HB   ASP   9          2HB       ASP   9 -23.709  -8.735  -8.735
   60    H    LYS  10           H        LYS  10 -21.784  -7.589  -7.589
   61    HA   LYS  10           HA       LYS  10 -21.662  -7.914  -7.914
   62   1HB   LYS  10          1HB       LYS  10 -19.453  -7.860  -7.860
   63   2HB   LYS  10          2HB       LYS  10 -19.107  -8.031  -8.031
   64   1HG   LYS  10          1HG       LYS  10 -20.844 -10.026 -10.026
   65   2HG   LYS  10          2HG       LYS  10 -19.109 -10.166 -10.166
   66   1HD   LYS  10          1HD       LYS  10 -19.473 -10.185 -10.185
   67   2HD   LYS  10          2HD       LYS  10 -21.218 -10.164 -10.164
   68   1HE   LYS  10          1HE       LYS  10 -21.040 -12.351 -12.351
   69   2HE   LYS  10          2HE       LYS  10 -19.289 -12.365 -12.365
   70   1HZ   LYS  10          2HZ       LYS  10 -19.710 -12.441 -12.441
   71   2HZ   LYS  10          3HZ       LYS  10 -21.344 -12.429 -12.429
   72   3HZ   LYS  10          1HZ       LYS  10 -20.440 -13.711 -13.711
   73    H    LEU  11           H        LEU  11 -20.272  -5.451  -5.451
   74    HA   LEU  11           HA       LEU  11 -19.692  -3.651  -3.651
   75   1HB   LEU  11          1HB       LEU  11 -18.696  -3.687  -3.687
   76   2HB   LEU  11          2HB       LEU  11 -18.625  -2.219  -2.219
   77    HG   LEU  11           HG       LEU  11 -17.363  -3.402  -3.402
   78   1HD1  LEU  11          1HD2      LEU  11 -17.087  -5.671  -5.671
   79   2HD1  LEU  11          2HD2      LEU  11 -16.083  -5.498  -5.498
   80   3HD1  LEU  11          3HD2      LEU  11 -17.817  -5.792  -5.792
   81   1HD2  LEU  11          1HD1      LEU  11 -16.258  -1.895  -1.895
   82   2HD2  LEU  11          2HD1      LEU  11 -15.184  -3.233  -3.233
   83   3HD2  LEU  11          3HD1      LEU  11 -16.017  -3.243  -3.243
   84    H    LYS  12           H        LYS  12 -22.219  -3.750  -3.750
   85    HA   LYS  12           HA       LYS  12 -22.999  -0.938  -0.938
   86   1HB   LYS  12          1HB       LYS  12 -25.301  -1.413  -1.413
   87   2HB   LYS  12          2HB       LYS  12 -24.842  -2.011  -2.011
   88   1HG   LYS  12          1HG       LYS  12 -26.160  -3.691  -3.691
   89   2HG   LYS  12          2HG       LYS  12 -24.538  -4.313  -4.313
   90   1HD   LYS  12          1HD       LYS  12 -25.508  -5.099  -5.099
   91   2HD   LYS  12          2HD       LYS  12 -24.153  -4.059  -4.059
   92   1HE   LYS  12          1HE       LYS  12 -25.765  -2.161  -2.161
   93   2HE   LYS  12          2HE       LYS  12 -27.132  -3.179  -3.179
   94   1HZ   LYS  12          2HZ       LYS  12 -26.528  -4.720  -4.720
   95   2HZ   LYS  12          3HZ       LYS  12 -25.252  -3.769  -3.769
   96   3HZ   LYS  12          1HZ       LYS  12 -26.795  -3.202  -3.202
   97    H    GLU  13           H        GLU  13 -22.647  -2.821  -2.821
   98    HA   GLU  13           HA       GLU  13 -22.612  -0.252  -0.252
   99   1HB   GLU  13          1HB       GLU  13 -22.546  -1.407  -1.407
  100   2HB   GLU  13          2HB       GLU  13 -23.806  -2.118  -2.118
  101   1HG   GLU  13          1HG       GLU  13 -21.041  -3.386  -3.386
  102   2HG   GLU  13          2HG       GLU  13 -22.526  -3.734  -3.734
  103    H    PHE  14           H        PHE  14 -20.272  -2.884  -2.884
  104    HA   PHE  14           HA       PHE  14 -17.971  -1.302  -1.302
  105   1HB   PHE  14          1HB       PHE  14 -18.047  -3.843  -3.843
  106   2HB   PHE  14          2HB       PHE  14 -17.861  -3.791  -3.791
  107    HD1  PHE  14           HD1      PHE  14 -16.248  -2.749  -2.749
  108    HD2  PHE  14           HD2      PHE  14 -15.578  -3.533  -3.533
  109    HE1  PHE  14           HE1      PHE  14 -13.820  -2.530  -2.530
  110    HE2  PHE  14           HE2      PHE  14 -13.164  -3.294  -3.294
  111    HZ   PHE  14           HZ       PHE  14 -12.274  -2.792  -2.792
  112    H    GLY  15           H        GLY  15 -19.587  -1.383  -1.383
  113   1HA   GLY  15          1HA       GLY  15 -17.573   0.055   0.055
  114   2HA   GLY  15          2HA       GLY  15 -19.294   0.107   0.107
  115    H    ASN  16           H        ASN  16 -20.357   1.286   1.286
  116    HA   ASN  16           HA       ASN  16 -19.646   4.122   4.122
  117   1HB   ASN  16          1HB       ASN  16 -21.905   3.112   3.112
  118   2HB   ASN  16          2HB       ASN  16 -21.238   2.575   2.575
  119   1HD2  ASN  16          1HD2      ASN  16 -21.853   5.817   5.817
  120   2HD2  ASN  16          2HD2      ASN  16 -21.394   4.054   4.054
  121    H    THR  17           H        THR  17 -18.481   1.524   1.524
  122    HA   THR  17           HA       THR  17 -17.055   3.261   3.261
  123    HB   THR  17           HB       THR  17 -16.461   0.339   0.339
  124    HG1  THR  17           HG1      THR  17 -17.715  -0.066  -0.066
  125   1HG2  THR  17          1HG2      THR  17 -15.715   1.896   1.896
  126   2HG2  THR  17          2HG2      THR  17 -15.508   0.141   0.141
  127   3HG2  THR  17          3HG2      THR  17 -14.576   1.297   1.297
  128    H    LEU  18           H        LEU  18 -15.778   1.467   1.467
  129    HA   LEU  18           HA       LEU  18 -13.291   3.061   3.061
  130   1HB   LEU  18          1HB       LEU  18 -12.384   1.858   1.858
  131   2HB   LEU  18          2HB       LEU  18 -13.070   0.789   0.789
  132    HG   LEU  18           HG       LEU  18 -15.078   0.385   0.385
  133   1HD1  LEU  18          1HD2      LEU  18 -13.438   2.001   2.001
  134   2HD1  LEU  18          2HD2      LEU  18 -14.811   0.937   0.937
  135   3HD1  LEU  18          3HD2      LEU  18 -15.077   2.377   2.377
  136   1HD2  LEU  18          2HD1      LEU  18 -13.139  -1.187  -1.187
  137   2HD2  LEU  18          3HD1      LEU  18 -13.797  -1.135  -1.135
  138   3HD2  LEU  18          1HD1      LEU  18 -12.284  -0.276  -0.276
  139    H    GLU  19           H        GLU  19 -16.033   4.087   4.087
  140    HA   GLU  19           HA       GLU  19 -15.088   6.074   6.074
  141   1HB   GLU  19          1HB       GLU  19 -17.789   5.722   5.722
  142   2HB   GLU  19          2HB       GLU  19 -17.417   7.177   7.177
  143   1HG   GLU  19          1HG       GLU  19 -17.027   5.943   5.943
  144   2HG   GLU  19          2HG       GLU  19 -17.194   4.392   4.392
  145    H    ASP  20           H        ASP  20 -16.193   6.172   6.172
  146    HA   ASP  20           HA       ASP  20 -15.147   8.865   8.865
  147   1HB   ASP  20          1HB       ASP  20 -16.925   7.630   7.630
  148   2HB   ASP  20          2HB       ASP  20 -15.675   6.596   6.596
  149    H    LYS  21           H        LYS  21 -13.596   5.648   5.648
  150    HA   LYS  21           HA       LYS  21 -11.094   6.556   6.556
  151   1HB   LYS  21          1HB       LYS  21 -11.599   4.131   4.131
  152   2HB   LYS  21          2HB       LYS  21 -10.085   4.420   4.420
  153   1HG   LYS  21          1HG       LYS  21 -11.041   4.178   4.178
  154   2HG   LYS  21          2HG       LYS  21 -12.682   4.199   4.199
  155   1HD   LYS  21          1HD       LYS  21 -12.169   1.939   1.939
  156   2HD   LYS  21          2HD       LYS  21 -12.359   2.031   2.031
  157   1HE   LYS  21          1HE       LYS  21  -9.818   2.008   2.008
  158   2HE   LYS  21          2HE       LYS  21  -9.642   1.929   1.929
  159   1HZ   LYS  21          2HZ       LYS  21 -10.861  -0.189  -0.189
  160   2HZ   LYS  21          3HZ       LYS  21 -11.025  -0.109  -0.109
  161   3HZ   LYS  21          1HZ       LYS  21  -9.525  -0.265  -0.265
  162    H    ALA  22           H        ALA  22 -11.835   6.054   6.054
  163    HA   ALA  22           HA       ALA  22  -9.317   7.194   7.194
  164   1HB   ALA  22          2HB       ALA  22 -10.759   5.740   5.740
  165   2HB   ALA  22          3HB       ALA  22 -12.045   6.978   6.978
  166   3HB   ALA  22          1HB       ALA  22 -10.477   7.301   7.301
  167    H    ARG  23           H        ARG  23 -12.421   8.799   8.799
  168    HA   ARG  23           HA       ARG  23 -11.735  11.486  11.486
  169   1HB   ARG  23          1HB       ARG  23 -14.047  10.658  10.658
  170   2HB   ARG  23          2HB       ARG  23 -13.600  10.711  10.711
  171   1HG   ARG  23          1HG       ARG  23 -13.172  13.211  13.211
  172   2HG   ARG  23          2HG       ARG  23 -13.617  13.111  13.111
  173   1HD   ARG  23          1HD       ARG  23 -15.938  12.274  12.274
  174   2HD   ARG  23          2HD       ARG  23 -15.469  12.416  12.416
  175    HE   ARG  23           HE       ARG  23 -15.049  14.995  14.995
  176   1HH1  ARG  23          1HH1      ARG  23 -17.660  12.970  12.970
  177   2HH1  ARG  23          2HH1      ARG  23 -18.718  14.455  14.455
  178   1HH2  ARG  23          1HH2      ARG  23 -16.330  16.611  16.611
  179   2HH2  ARG  23          2HH2      ARG  23 -18.013  16.376  16.376
  180    H    GLU  24           H        GLU  24 -11.280  10.002  10.002
  181    HA   GLU  24           HA       GLU  24  -9.792  12.262  12.262
  182   1HB   GLU  24          1HB       GLU  24  -9.834   9.291   9.291
  183   2HB   GLU  24          2HB       GLU  24  -8.978  10.515  10.515
  184   1HG   GLU  24          1HG       GLU  24 -12.029  10.514  10.514
  185   2HG   GLU  24          2HG       GLU  24 -11.203   9.911   9.911
  186    H    LEU  25           H        LEU  25  -8.596   9.324   9.324
  187    HA   LEU  25           HA       LEU  25  -5.746   9.991   9.991
  188   1HB   LEU  25          2HB       LEU  25  -7.144   7.788   7.788
  189   2HB   LEU  25          1HB       LEU  25  -5.487   8.149   8.149
  190    HG   LEU  25           HG       LEU  25  -4.743   7.792   7.792
  191   1HD1  LEU  25          2HD1      LEU  25  -6.848   8.218   8.218
  192   2HD1  LEU  25          3HD1      LEU  25  -7.591   6.756   6.756
  193   3HD1  LEU  25          1HD1      LEU  25  -6.172   6.625   6.625
  194   1HD2  LEU  25          3HD2      LEU  25  -4.613   5.962   5.962
  195   2HD2  LEU  25          1HD2      LEU  25  -4.900   5.299   5.299
  196   3HD2  LEU  25          2HD2      LEU  25  -6.241   5.397   5.397
  197    H    ILE  26           H        ILE  26  -7.849  10.623  10.623
  198    HA   ILE  26           HA       ILE  26  -5.637  11.750  11.750
  199    HB   ILE  26           HB       ILE  26  -8.654  11.879  11.879
  200   1HG1  ILE  26          1HG1      ILE  26  -6.488  10.388  10.388
  201   2HG1  ILE  26          2HG1      ILE  26  -7.342   9.632   9.632
  202   1HG2  ILE  26          3HG2      ILE  26  -7.704  13.933  13.933
  203   2HG2  ILE  26          1HG2      ILE  26  -6.494  12.960  12.960
  204   3HG2  ILE  26          2HG2      ILE  26  -8.228  12.798  12.798
  205   1HD1  ILE  26          1HD1      ILE  26  -9.549   9.985   9.985
  206   2HD1  ILE  26          2HD1      ILE  26  -8.678  10.638  10.638
  207   3HD1  ILE  26          3HD1      ILE  26  -8.409   8.954   8.954
  208    H    SER  27           H        SER  27  -8.243  13.274  13.274
  209    HA   SER  27           HA       SER  27  -7.257  16.027  16.027
  210   1HB   SER  27          1HB       SER  27  -9.542  15.323  15.323
  211   2HB   SER  27          2HB       SER  27  -8.810  14.681  14.681
  212    HG   SER  27           HG       SER  27  -9.577  16.797  16.797
  213    H    ARG  28           H        ARG  28  -5.881  13.394  13.394
  214    HA   ARG  28           HA       ARG  28  -4.249  15.108  15.108
  215   1HB   ARG  28          1HB       ARG  28  -4.588  12.070  12.070
  216   2HB   ARG  28          2HB       ARG  28  -3.239  12.757  12.757
  217   1HG   ARG  28          1HG       ARG  28  -4.546  13.773  13.773
  218   2HG   ARG  28          2HG       ARG  28  -6.068  13.570  13.570
  219   1HD   ARG  28          1HD       ARG  28  -5.705  11.007  11.007
  220   2HD   ARG  28          2HD       ARG  28  -4.308  11.298  11.298
  221    HE   ARG  28           HE       ARG  28  -6.397  12.728  12.728
  222   1HH1  ARG  28          1HH1      ARG  28  -6.044   9.346   9.346
  223   2HH1  ARG  28          2HH1      ARG  28  -7.197   8.804   8.804
  224   1HH2  ARG  28          1HH2      ARG  28  -7.693  11.998  11.998
  225   2HH2  ARG  28          2HH2      ARG  28  -8.066  10.206  10.206
  226    H    ILE  29           H        ILE  29  -3.879  12.953  12.953
  227    HA   ILE  29           HA       ILE  29  -0.965  13.406  13.406
  228    HB   ILE  29           HB       ILE  29  -3.108  12.030  12.030
  229   1HG1  ILE  29          1HG1      ILE  29  -2.045  10.863  10.863
  230   2HG1  ILE  29          2HG1      ILE  29  -1.935  10.017  10.017
  231   1HG2  ILE  29          3HG2      ILE  29  -0.329  12.534  12.534
  232   2HG2  ILE  29          1HG2      ILE  29  -1.413  11.218  11.218
  233   3HG2  ILE  29          2HG2      ILE  29  -1.915  12.890  12.890
  234   1HD1  ILE  29          2HD1      ILE  29   0.409  11.601  11.601
  235   2HD1  ILE  29          3HD1      ILE  29   0.190   9.835   9.835
  236   3HD1  ILE  29          1HD1      ILE  29   0.488  10.656  10.656
  237    H    LYS  30           H        LYS  30  -3.281  14.279  14.279
  238    HA   LYS  30           HA       LYS  30  -3.181  15.945  15.945
  239   1HB   LYS  30          1HB       LYS  30  -2.776  17.832  17.832
  240   2HB   LYS  30          2HB       LYS  30  -3.111  18.365  18.365
  241   1HG   LYS  30          1HG       LYS  30  -5.016  16.672  16.672
  242   2HG   LYS  30          2HG       LYS  30  -5.117  18.401  18.401
  243   1HD   LYS  30          1HD       LYS  30  -5.461  18.024  18.024
  244   2HD   LYS  30          2HD       LYS  30  -5.402  16.277  16.277
  245   1HE   LYS  30          1HE       LYS  30  -7.430  16.375  16.375
  246   2HE   LYS  30          2HE       LYS  30  -7.498  18.137  18.137
  247   1HZ   LYS  30          3HZ       LYS  30  -7.760  16.183  16.183
  248   2HZ   LYS  30          1HZ       LYS  30  -8.994  17.034  17.034
  249   3HZ   LYS  30          2HZ       LYS  30  -7.825  17.825  17.825
  250    H    GLN  31           H        GLN  31  -1.135  14.613  14.613
  251    HA   GLN  31           HA       GLN  31   1.004  14.337  14.337
  252   1HB   GLN  31          1HB       GLN  31   0.332  16.155  16.155
  253   2HB   GLN  31          2HB       GLN  31   1.234  17.284  17.284
  254   1HG   GLN  31          1HG       GLN  31   3.252  15.628  15.628
  255   2HG   GLN  31          2HG       GLN  31   2.300  14.768  14.768
  256   1HE2  GLN  31          2HE2      GLN  31   4.111  18.261  18.261
  257   2HE2  GLN  31          1HE2      GLN  31   4.192  17.628  17.628
  258    H    SER  32           H        SER  32   1.288  13.834  13.834
  259    HA   SER  32           HA       SER  32   2.869  13.591  13.591
  260   1HB   SER  32          1HB       SER  32   4.573  14.014  14.014
  261   2HB   SER  32          2HB       SER  32   4.560  15.752  15.752
  262    HG   SER  32           HG       SER  32   5.120  15.233  15.233
  263    H    GLU  33           H        GLU  33   3.514  14.379  14.379
  264    HA   GLU  33           HA       GLU  33   3.709  16.086  16.086
  265   1HB   GLU  33          1HB       GLU  33   2.367  17.826  17.826
  266   2HB   GLU  33          2HB       GLU  33   2.505  17.963  17.963
  267   1HG   GLU  33          1HG       GLU  33   0.258  18.377  18.377
  268   2HG   GLU  33          2HG       GLU  33   0.098  16.635  16.635
  269    H    LEU  34           H        LEU  34   1.169  14.021  14.021
  270    HA   LEU  34           HA       LEU  34   1.110  12.935  12.935
  271   1HB   LEU  34          1HB       LEU  34  -1.042  12.930  12.930
  272   2HB   LEU  34          2HB       LEU  34  -0.456  12.012  12.012
  273    HG   LEU  34           HG       LEU  34  -1.923  10.841  10.841
  274   1HD1  LEU  34          3HD1      LEU  34  -0.670   9.514   9.514
  275   2HD1  LEU  34          1HD1      LEU  34   0.724   9.384   9.384
  276   3HD1  LEU  34          2HD1      LEU  34  -0.832   8.644   8.644
  277   1HD2  LEU  34          3HD2      LEU  34  -0.896  11.689  11.689
  278   2HD2  LEU  34          1HD2      LEU  34  -1.018   9.915   9.915
  279   3HD2  LEU  34          2HD2      LEU  34   0.552  10.700  10.700
  280    H    SER  35           H        SER  35   2.358  12.428  12.428
  281    HA   SER  35           HA       SER  35   4.029  10.014  10.014
  282   1HB   SER  35          1HB       SER  35   3.660  11.342  11.342
  283   2HB   SER  35          2HB       SER  35   4.825  10.063  10.063
  284    HG   SER  35           HG       SER  35   2.028   9.898   9.898
  285    H    ALA  36           H        ALA  36   5.608  12.141  12.141
  286    HA   ALA  36           HA       ALA  36   7.622  13.471  13.471
  287   1HB   ALA  36          2HB       ALA  36   6.323  14.998  14.998
  288   2HB   ALA  36          3HB       ALA  36   6.837  14.113  14.113
  289   3HB   ALA  36          1HB       ALA  36   8.045  14.933  14.933
  290    H    LYS  37           H        LYS  37   7.456  11.755  11.755
  291    HA   LYS  37           HA       LYS  37  10.224  10.593  10.593
  292   1HB   LYS  37          1HB       LYS  37   8.088  10.030  10.030
  293   2HB   LYS  37          2HB       LYS  37   9.614   9.164   9.164
  294   1HG   LYS  37          1HG       LYS  37  10.902  11.314  11.314
  295   2HG   LYS  37          2HG       LYS  37   9.384  12.201  12.201
  296   1HD   LYS  37          1HD       LYS  37   8.805  10.794  10.794
  297   2HD   LYS  37          2HD       LYS  37  10.313   9.914   9.914
  298   1HE   LYS  37          1HE       LYS  37  10.711  11.520  11.520
  299   2HE   LYS  37          2HE       LYS  37  11.624  12.080  12.080
  300   1HZ   LYS  37          2HZ       LYS  37   8.967  13.134  13.134
  301   2HZ   LYS  37          3HZ       LYS  37  10.423  13.887  13.887
  302   3HZ   LYS  37          1HZ       LYS  37   9.809  13.674  13.674
  303    H    MET  38           H        MET  38   6.813   9.473   9.473
  304    HA   MET  38           HA       MET  38   7.609   6.776   6.776
  305   1HB   MET  38          1HB       MET  38   4.969   8.228   8.228
  306   2HB   MET  38          2HB       MET  38   5.286   6.541   6.541
  307   1HG   MET  38          1HG       MET  38   5.081   7.943   7.943
  308   2HG   MET  38          2HG       MET  38   3.931   6.839   6.839
  309   1HE   MET  38          1HE       MET  38   4.350   4.166   4.166
  310   2HE   MET  38          3HE       MET  38   5.866   4.357   4.357
  311   3HE   MET  38          2HE       MET  38   5.843   3.325   3.325
  312    H    ARG  39           H        ARG  39   8.166   9.739   9.739
  313    HA   ARG  39           HA       ARG  39   8.393   8.187   8.187
  314   1HB   ARG  39          1HB       ARG  39   7.741  11.177  11.177
  315   2HB   ARG  39          2HB       ARG  39   8.191  10.424  10.424
  316   1HG   ARG  39          1HG       ARG  39   6.196   8.932   8.932
  317   2HG   ARG  39          2HG       ARG  39   5.739   9.555   9.555
  318   1HD   ARG  39          1HD       ARG  39   5.592  11.916  11.916
  319   2HD   ARG  39          2HD       ARG  39   5.874  11.169  11.169
  320    HE   ARG  39           HE       ARG  39   3.598   9.887   9.887
  321   1HH1  ARG  39          1HH1      ARG  39   4.423  12.732  12.732
  322   2HH1  ARG  39          2HH1      ARG  39   2.657  12.956  12.956
  323   1HH2  ARG  39          1HH2      ARG  39   1.618  10.237  10.237
  324   2HH2  ARG  39          2HH2      ARG  39   1.179  11.637  11.637
  325    H    GLU  40           H        GLU  40   9.866  11.148  11.148
  326    HA   GLU  40           HA       GLU  40  12.303  10.856  10.856
  327   1HB   GLU  40          1HB       GLU  40  11.296  13.023  13.023
  328   2HB   GLU  40          2HB       GLU  40  12.060  12.579  12.579
  329   1HG   GLU  40          1HG       GLU  40  14.300  12.410  12.410
  330   2HG   GLU  40          2HG       GLU  40  13.427  13.101  13.101
  331    H    TRP  41           H        TRP  41  11.974  10.446  10.446
  332    HA   TRP  41           HA       TRP  41  14.491   8.945   8.945
  333   1HB   TRP  41          1HB       TRP  41  13.414  10.186  10.186
  334   2HB   TRP  41          2HB       TRP  41  11.980   9.194   9.194
  335    HD1  TRP  41           HD1      TRP  41  15.450   9.276   9.276
  336    HE1  TRP  41           HE1      TRP  41  15.708   7.313   7.313
  337    HE3  TRP  41           HE3      TRP  41  11.359   6.641   6.641
  338    HZ2  TRP  41           HZ2      TRP  41  14.109   5.005   5.005
  339    HZ3  TRP  41           HZ3      TRP  41  10.666   4.655   4.655
  340    HH2  TRP  41           HH2      TRP  41  12.045   3.821   3.821
  341    H    PHE  42           H        PHE  42  11.231   7.841   7.841
  342    HA   PHE  42           HA       PHE  42  11.655   4.953   4.953
  343   1HB   PHE  42          1HB       PHE  42   9.414   6.150   6.150
  344   2HB   PHE  42          2HB       PHE  42   9.872   6.246   6.246
  345    HD1  PHE  42           HD2      PHE  42  10.021   4.079   4.079
  346    HD2  PHE  42           HD1      PHE  42   8.626   4.071   4.071
  347    HE1  PHE  42           HE2      PHE  42   9.018   1.856   1.856
  348    HE2  PHE  42           HE1      PHE  42   7.582   1.872   1.872
  349    HZ   PHE  42           HZ       PHE  42   7.801   0.750   0.750
  350    H    SER  43           H        SER  43  12.607   7.125   7.125
  351    HA   SER  43           HA       SER  43  13.806   4.910   4.910
  352   1HB   SER  43          1HB       SER  43  14.295   6.595   6.595
  353   2HB   SER  43          2HB       SER  43  12.580   6.528   6.528
  354    HG   SER  43           HG       SER  43  14.457   8.412   8.412
  355    H    GLU  44           H        GLU  44  15.063   4.444   4.444
  356    HA   GLU  44           HA       GLU  44  17.831   5.074   5.074
  357   1HB   GLU  44          1HB       GLU  44  17.330   7.410   7.410
  358   2HB   GLU  44          2HB       GLU  44  16.361   6.822   6.822
  359   1HG   GLU  44          1HG       GLU  44  18.499   7.572   7.572
  360   2HG   GLU  44          2HG       GLU  44  18.402   5.841   5.841
  361    H    THR  45           H        THR  45  15.348   4.856   4.856
  362    HA   THR  45           HA       THR  45  16.310   2.049   2.049
  363    HB   THR  45           HB       THR  45  14.183   3.809   3.809
  364    HG1  THR  45           HG1      THR  45  16.911   3.673   3.673
  365   1HG2  THR  45          2HG2      THR  45  14.299   1.345   1.345
  366   2HG2  THR  45          3HG2      THR  45  15.917   1.694   1.694
  367   3HG2  THR  45          1HG2      THR  45  14.503   2.546   2.546
  368    H    PHE  46           H        PHE  46  15.437   1.901   1.901
  369    HA   PHE  46           HA       PHE  46  12.584   1.604   1.604
  370   1HB   PHE  46          1HB       PHE  46  14.287   2.423   2.423
  371   2HB   PHE  46          2HB       PHE  46  14.955   0.836   0.836
  372    HD1  PHE  46           HD2      PHE  46  12.119   3.070   3.070
  373    HD2  PHE  46           HD1      PHE  46  13.640  -0.934  -0.934
  374    HE1  PHE  46           HE2      PHE  46  10.577   2.670   2.670
  375    HE2  PHE  46           HE1      PHE  46  12.100  -1.312  -1.312
  376    HZ   PHE  46           HZ       PHE  46  10.565   0.484   0.484
  377    H    GLN  47           H        GLN  47  15.024  -1.077  -1.077
  378    HA   GLN  47           HA       GLN  47  12.873  -3.110  -3.110
  379   1HB   GLN  47          1HB       GLN  47  14.498  -4.786  -4.786
  380   2HB   GLN  47          2HB       GLN  47  14.906  -3.466  -3.466
  381   1HG   GLN  47          1HG       GLN  47  17.030  -3.864  -3.864
  382   2HG   GLN  47          2HG       GLN  47  16.611  -2.766  -2.766
  383   1HE2  GLN  47          2HE2      GLN  47  17.204  -6.772  -6.772
  384   2HE2  GLN  47          1HE2      GLN  47  17.002  -6.178  -6.178
  385    H    LYS  48           H        LYS  48  14.927  -1.720  -1.720
  386    HA   LYS  48           HA       LYS  48  14.329  -3.627  -3.627
  387   1HB   LYS  48          1HB       LYS  48  15.230  -0.701  -0.701
  388   2HB   LYS  48          2HB       LYS  48  14.985  -1.659  -1.659
  389   1HG   LYS  48          1HG       LYS  48  16.679  -3.312  -3.312
  390   2HG   LYS  48          2HG       LYS  48  16.933  -2.528  -2.528
  391   1HD   LYS  48          1HD       LYS  48  17.413  -1.073  -1.073
  392   2HD   LYS  48          2HD       LYS  48  18.636  -2.080  -2.080
  393   1HE   LYS  48          1HE       LYS  48  18.644  -0.655  -0.655
  394   2HE   LYS  48          2HE       LYS  48  17.345   0.351   0.351
  395   1HZ   LYS  48          1HZ       LYS  48  20.041   0.057   0.057
  396   2HZ   LYS  48          2HZ       LYS  48  19.502   1.361   1.361
  397   3HZ   LYS  48          3HZ       LYS  48  18.823   0.995   0.995
  398    H    VAL  49           H        VAL  49  12.690  -0.527  -0.527
  399    HA   VAL  49           HA       VAL  49  10.454  -0.855  -0.855
  400    HB   VAL  49           HB       VAL  49  10.399   0.687   0.687
  401   1HG1  VAL  49          3HG1      VAL  49   8.496   0.899   0.899
  402   2HG1  VAL  49          1HG1      VAL  49   8.553   2.077   2.077
  403   3HG1  VAL  49          2HG1      VAL  49   8.091   0.405   0.405
  404   1HG2  VAL  49          2HG2      VAL  49  12.169   1.578   1.578
  405   2HG2  VAL  49          3HG2      VAL  49  10.911   2.740   2.740
  406   3HG2  VAL  49          1HG2      VAL  49  10.866   1.879   1.879
  407    H    LYS  50           H        LYS  50  10.748  -1.734  -1.734
  408    HA   LYS  50           HA       LYS  50   8.038  -2.436  -2.436
  409   1HB   LYS  50          1HB       LYS  50   9.571  -1.683  -1.683
  410   2HB   LYS  50          2HB       LYS  50  10.585  -3.118  -3.118
  411   1HG   LYS  50          1HG       LYS  50   8.789  -4.540  -4.540
  412   2HG   LYS  50          2HG       LYS  50   7.683  -3.176  -3.176
  413   1HD   LYS  50          1HD       LYS  50  10.455  -3.268  -3.268
  414   2HD   LYS  50          2HD       LYS  50   9.027  -3.929  -3.929
  415   1HE   LYS  50          1HE       LYS  50   9.373  -0.954  -0.954
  416   2HE   LYS  50          2HE       LYS  50   9.666  -1.625  -1.625
  417   1HZ   LYS  50          3HZ       LYS  50   7.319  -2.258  -2.258
  418   2HZ   LYS  50          1HZ       LYS  50   7.023  -1.641  -1.641
  419   3HZ   LYS  50          2HZ       LYS  50   7.473  -0.635  -0.635
  420    H    GLU  51           H        GLU  51  10.782  -4.632  -4.632
  421    HA   GLU  51           HA       GLU  51   9.137  -7.082  -7.082
  422   1HB   GLU  51          1HB       GLU  51  11.027  -8.179  -8.179
  423   2HB   GLU  51          2HB       GLU  51  11.581  -7.158  -7.158
  424   1HG   GLU  51          1HG       GLU  51  12.316  -5.437  -5.437
  425   2HG   GLU  51          2HG       GLU  51  11.976  -6.727  -6.727
  426    H    LYS  52           H        LYS  52   9.625  -4.368  -4.368
  427    HA   LYS  52           HA       LYS  52   8.950  -5.790  -5.790
  428   1HB   LYS  52          1HB       LYS  52  10.457  -3.828  -3.828
  429   2HB   LYS  52          2HB       LYS  52   9.155  -2.786  -2.786
  430   1HG   LYS  52          1HG       LYS  52   7.917  -3.170  -3.170
  431   2HG   LYS  52          2HG       LYS  52   9.206  -4.253  -4.253
  432   1HD   LYS  52          1HD       LYS  52  10.867  -2.321  -2.321
  433   2HD   LYS  52          2HD       LYS  52   9.577  -1.278  -1.278
  434   1HE   LYS  52          1HE       LYS  52   9.860  -0.761  -0.761
  435   2HE   LYS  52          2HE       LYS  52   8.323  -1.614  -1.614
  436   1HZ   LYS  52          2HZ       LYS  52  10.909  -2.826  -2.826
  437   2HZ   LYS  52          3HZ       LYS  52   9.647  -2.416  -2.416
  438   3HZ   LYS  52          1HZ       LYS  52   9.478  -3.643  -3.643
  439    H    LEU  53           H        LEU  53   7.099  -3.238  -3.238
  440    HA   LEU  53           HA       LEU  53   4.522  -4.447  -4.447
  441   1HB   LEU  53          1HB       LEU  53   3.324  -2.648  -2.648
  442   2HB   LEU  53          2HB       LEU  53   4.826  -1.992  -1.992
  443    HG   LEU  53           HG       LEU  53   3.834  -1.983  -1.983
  444   1HD1  LEU  53          3HD2      LEU  53   2.394  -0.558  -0.558
  445   2HD1  LEU  53          1HD2      LEU  53   3.819   0.344   0.344
  446   3HD1  LEU  53          2HD2      LEU  53   3.307   0.460   0.460
  447   1HD2  LEU  53          1HD1      LEU  53   6.264  -0.467  -0.467
  448   2HD2  LEU  53          2HD1      LEU  53   6.307  -1.761  -1.761
  449   3HD2  LEU  53          3HD1      LEU  53   5.607  -0.195  -0.195
  450    H    LYS  54           H        LYS  54   3.249  -5.778  -5.778
  451    HA   LYS  54           HA       LYS  54   3.203  -7.279  -7.279
  452   1HB   LYS  54          1HB       LYS  54   2.661  -6.526  -6.526
  453   2HB   LYS  54          2HB       LYS  54   1.823  -5.688  -5.688
  454   1HG   LYS  54          1HG       LYS  54   2.256  -4.106  -4.106
  455   2HG   LYS  54          2HG       LYS  54   3.235  -3.649  -3.649
  456   1HD   LYS  54          1HD       LYS  54   5.270  -4.760  -4.760
  457   2HD   LYS  54          2HD       LYS  54   4.195  -5.089  -5.089
  458   1HE   LYS  54          1HE       LYS  54   5.382  -3.096  -3.096
  459   2HE   LYS  54          2HE       LYS  54   3.754  -2.556  -2.556
  460   1HZ   LYS  54          3HZ       LYS  54   6.109  -2.388  -2.388
  461   2HZ   LYS  54          1HZ       LYS  54   5.431  -1.130  -1.130
  462   3HZ   LYS  54          2HZ       LYS  54   4.586  -1.874  -1.874
  463    H    ILE  55           H        ILE  55   4.254  -7.708  -7.708
  464    HA   ILE  55           HA       ILE  55   7.202  -8.284  -8.284
  465    HB   ILE  55           HB       ILE  55   5.306 -10.176 -10.176
  466   1HG1  ILE  55          1HG1      ILE  55   6.899 -10.466 -10.466
  467   2HG1  ILE  55          2HG1      ILE  55   5.194 -10.071 -10.071
  468   1HG2  ILE  55          1HG2      ILE  55   7.577 -10.224 -10.224
  469   2HG2  ILE  55          2HG2      ILE  55   8.357 -10.464 -10.464
  470   3HG2  ILE  55          3HG2      ILE  55   7.289 -11.713 -11.713
  471   1HD1  ILE  55          1HD1      ILE  55   4.698 -12.260 -12.260
  472   2HD1  ILE  55          2HD1      ILE  55   6.413 -12.722 -12.722
  473   3HD1  ILE  55          3HD1      ILE  55   5.387 -12.421 -12.421
  474    H    ASP  56           H        ASP  56   5.383  -8.615  -8.615
  475    HA   ASP  56           HA       ASP  56   7.516  -7.047  -7.047
  476   1HB   ASP  56          1HB       ASP  56   6.658  -9.248  -9.248
  477   2HB   ASP  56          2HB       ASP  56   5.102  -8.521  -8.521
  478    H    SER  57           H        SER  57   4.008  -6.717  -6.717
  479    HA   SER  57           HA       SER  57   4.148  -3.725  -3.725
  480   1HB   SER  57          1HB       SER  57   4.830  -4.063  -4.063
  481   2HB   SER  57          2HB       SER  57   3.299  -4.884  -4.884
  482    HG   SER  57           HG       SER  57   3.254  -2.675  -2.675

  Start of MODEL    4
    1   1H    THR   1          2H        THR   1 -20.046   3.528   3.528
    2   2H    THR   1          3H        THR   1 -21.282   2.545   2.545
    3   3H    THR   1          1H        THR   1 -21.597   3.865   3.865
    4    HA   THR   1           HA       THR   1 -20.322   2.922   2.922
    5    HB   THR   1           HB       THR   1 -21.923   1.117   1.117
    6    HG1  THR   1           HG1      THR   1 -23.417   0.359   0.359
    7   1HG2  THR   1          2HG2      THR   1 -23.070   3.386   3.386
    8   2HG2  THR   1          3HG2      THR   1 -23.655   3.186   3.186
    9   3HG2  THR   1          1HG2      THR   1 -24.193   2.084   2.084
   10    HA   PRO   2           HA       PRO   2 -17.406  -0.226  -0.226
   11   1HB   PRO   2          1HB       PRO   2 -15.307   1.152   1.152
   12   2HB   PRO   2          2HB       PRO   2 -15.252   0.912   0.912
   13   1HG   PRO   2          1HG       PRO   2 -15.631   3.382   3.382
   14   2HG   PRO   2          2HG       PRO   2 -16.274   3.020   3.020
   15   1HD   PRO   2          1HD       PRO   2 -17.767   3.078   3.078
   16   2HD   PRO   2          2HD       PRO   2 -18.291   3.601   3.601
   17    H    ASP   3           H        ASP   3 -18.744  -1.552  -1.552
   18    HA   ASP   3           HA       ASP   3 -17.737  -2.968  -2.968
   19   1HB   ASP   3          1HB       ASP   3 -19.325  -2.252  -2.252
   20   2HB   ASP   3          2HB       ASP   3 -18.171  -1.006  -1.006
   21    H    VAL   4           H        VAL   4 -19.015  -4.652  -4.652
   22    HA   VAL   4           HA       VAL   4 -21.592  -5.095  -5.095
   23    HB   VAL   4           HB       VAL   4 -19.674  -6.303  -6.303
   24   1HG1  VAL   4          3HG1      VAL   4 -18.360  -7.011  -7.011
   25   2HG1  VAL   4          1HG1      VAL   4 -19.613  -8.209  -8.209
   26   3HG1  VAL   4          2HG1      VAL   4 -18.698  -8.343  -8.343
   27   1HG2  VAL   4          2HG2      VAL   4 -22.025  -7.012  -7.012
   28   2HG2  VAL   4          3HG2      VAL   4 -20.880  -8.362  -8.362
   29   3HG2  VAL   4          1HG2      VAL   4 -21.905  -8.178  -8.178
   30    H    SER   5           H        SER   5 -21.320  -7.680  -7.680
   31    HA   SER   5           HA       SER   5 -22.893  -8.525  -8.525
   32   1HB   SER   5          1HB       SER   5 -22.598  -5.920  -5.920
   33   2HB   SER   5          2HB       SER   5 -23.452  -7.369  -7.369
   34    HG   SER   5           HG       SER   5 -20.721  -7.230  -7.230
   35    H    SER   6           H        SER   6 -23.900  -7.972  -7.972
   36    HA   SER   6           HA       SER   6 -25.654  -7.387  -7.387
   37   1HB   SER   6          1HB       SER   6 -27.049  -8.670  -8.670
   38   2HB   SER   6          2HB       SER   6 -27.440  -7.188  -7.188
   39    HG   SER   6           HG       SER   6 -28.268  -6.352  -6.352
   40    H    ALA   7           H        ALA   7 -24.035  -5.516  -5.516
   41    HA   ALA   7           HA       ALA   7 -25.687  -2.973  -2.973
   42   1HB   ALA   7          2HB       ALA   7 -24.340  -2.676  -2.676
   43   2HB   ALA   7          3HB       ALA   7 -22.837  -2.990  -2.990
   44   3HB   ALA   7          1HB       ALA   7 -23.811  -1.548  -1.548
   45    H    LEU   8           H        LEU   8 -22.627  -4.564  -4.564
   46    HA   LEU   8           HA       LEU   8 -22.784  -3.326  -3.326
   47   1HB   LEU   8          1HB       LEU   8 -20.888  -5.162  -5.162
   48   2HB   LEU   8          2HB       LEU   8 -21.382  -5.895  -5.895
   49    HG   LEU   8           HG       LEU   8 -19.360  -4.701  -4.701
   50   1HD1  LEU   8          2HD1      LEU   8 -20.949  -4.692  -4.692
   51   2HD1  LEU   8          3HD1      LEU   8 -21.533  -3.079  -3.079
   52   3HD1  LEU   8          1HD1      LEU   8 -19.841  -3.304  -3.304
   53   1HD2  LEU   8          3HD2      LEU   8 -19.427  -3.019  -3.019
   54   2HD2  LEU   8          1HD2      LEU   8 -19.066  -2.229  -2.229
   55   3HD2  LEU   8          2HD2      LEU   8 -20.696  -2.098  -2.098
   56    H    ASP   9           H        ASP   9 -24.473  -5.977  -5.977
   57    HA   ASP   9           HA       ASP   9 -25.673  -7.048  -7.048
   58   1HB   ASP   9          1HB       ASP   9 -25.604  -8.283  -8.283
   59   2HB   ASP   9          2HB       ASP   9 -26.854  -7.192  -7.192
   60    H    LYS  10           H        LYS  10 -26.856  -4.721  -4.721
   61    HA   LYS  10           HA       LYS  10 -29.354  -4.174  -4.174
   62   1HB   LYS  10          2HB       LYS  10 -28.221  -2.669  -2.669
   63   2HB   LYS  10          1HB       LYS  10 -29.845  -2.515  -2.515
   64   1HG   LYS  10          1HG       LYS  10 -28.613  -4.995  -4.995
   65   2HG   LYS  10          2HG       LYS  10 -29.786  -3.912  -3.912
   66   1HD   LYS  10          1HD       LYS  10 -30.294  -5.810  -5.810
   67   2HD   LYS  10          2HD       LYS  10 -30.751  -6.097  -6.097
   68   1HE   LYS  10          1HE       LYS  10 -32.301  -4.079  -4.079
   69   2HE   LYS  10          2HE       LYS  10 -31.869  -3.798  -3.798
   70   1HZ   LYS  10          3HZ       LYS  10 -33.161  -6.270  -6.270
   71   2HZ   LYS  10          1HZ       LYS  10 -33.909  -5.071  -5.071
   72   3HZ   LYS  10          2HZ       LYS  10 -32.754  -6.006  -6.006
   73    H    LEU  11           H        LEU  11 -26.519  -2.055  -2.055
   74    HA   LEU  11           HA       LEU  11 -27.490   0.126   0.126
   75   1HB   LEU  11          1HB       LEU  11 -24.744  -0.256  -0.256
   76   2HB   LEU  11          2HB       LEU  11 -25.170   1.078   1.078
   77    HG   LEU  11           HG       LEU  11 -25.239   1.832   1.832
   78   1HD1  LEU  11          1HD2      LEU  11 -26.984   2.807   2.807
   79   2HD1  LEU  11          2HD2      LEU  11 -28.185   1.657   1.657
   80   3HD1  LEU  11          3HD2      LEU  11 -27.450   2.875   2.875
   81   1HD2  LEU  11          2HD1      LEU  11 -25.600  -0.278  -0.278
   82   2HD2  LEU  11          3HD1      LEU  11 -26.626   1.046   1.046
   83   3HD2  LEU  11          1HD1      LEU  11 -27.334  -0.244  -0.244
   84    H    LYS  12           H        LYS  12 -24.745  -2.192  -2.192
   85    HA   LYS  12           HA       LYS  12 -23.803  -3.238  -3.238
   86   1HB   LYS  12          1HB       LYS  12 -25.063  -4.289  -4.289
   87   2HB   LYS  12          2HB       LYS  12 -25.740  -4.472  -4.472
   88   1HG   LYS  12          1HG       LYS  12 -27.551  -2.831  -2.831
   89   2HG   LYS  12          2HG       LYS  12 -26.879  -2.553  -2.553
   90   1HD   LYS  12          1HD       LYS  12 -27.251  -4.986  -4.986
   91   2HD   LYS  12          2HD       LYS  12 -27.890  -5.273  -5.273
   92   1HE   LYS  12          1HE       LYS  12 -29.766  -3.613  -3.613
   93   2HE   LYS  12          2HE       LYS  12 -29.131  -3.326  -3.326
   94   1HZ   LYS  12          1HZ       LYS  12 -30.094  -5.955  -5.955
   95   2HZ   LYS  12          2HZ       LYS  12 -30.907  -4.964  -4.964
   96   3HZ   LYS  12          3HZ       LYS  12 -29.501  -5.689  -5.689
   97    H    GLU  13           H        GLU  13 -25.601  -0.946  -0.946
   98    HA   GLU  13           HA       GLU  13 -23.139  -0.361  -0.361
   99   1HB   GLU  13          1HB       GLU  13 -24.440   1.186   1.186
  100   2HB   GLU  13          2HB       GLU  13 -25.160  -0.406  -0.406
  101   1HG   GLU  13          1HG       GLU  13 -26.875   0.469   0.469
  102   2HG   GLU  13          2HG       GLU  13 -26.176   2.075   2.075
  103    H    PHE  14           H        PHE  14 -25.109   1.467   1.467
  104    HA   PHE  14           HA       PHE  14 -23.154   3.681   3.681
  105   1HB   PHE  14          1HB       PHE  14 -25.556   3.941   3.941
  106   2HB   PHE  14          2HB       PHE  14 -25.400   2.796   2.796
  107    HD1  PHE  14           HD2      PHE  14 -24.371   6.197   6.197
  108    HD2  PHE  14           HD1      PHE  14 -24.370   3.510   3.510
  109    HE1  PHE  14           HE2      PHE  14 -23.721   8.044   8.044
  110    HE2  PHE  14           HE1      PHE  14 -23.730   5.372   5.372
  111    HZ   PHE  14           HZ       PHE  14 -23.402   7.636   7.636
  112    H    GLY  15           H        GLY  15 -23.572   0.603   0.603
  113   1HA   GLY  15          1HA       GLY  15 -21.453   0.894   0.894
  114   2HA   GLY  15          2HA       GLY  15 -21.979  -0.647  -0.647
  115    H    ASN  16           H        ASN  16 -21.237  -0.550  -0.550
  116    HA   ASN  16           HA       ASN  16 -18.340  -1.027  -1.027
  117   1HB   ASN  16          1HB       ASN  16 -20.094  -2.261  -2.261
  118   2HB   ASN  16          2HB       ASN  16 -20.116  -0.877  -0.877
  119   1HD2  ASN  16          1HD2      ASN  16 -16.907  -3.480  -3.480
  120   2HD2  ASN  16          2HD2      ASN  16 -18.111  -3.516  -3.516
  121    H    THR  17           H        THR  17 -20.173   1.839   1.839
  122    HA   THR  17           HA       THR  17 -18.057   2.887   2.887
  123    HB   THR  17           HB       THR  17 -20.418   4.416   4.416
  124    HG1  THR  17           HG1      THR  17 -20.860   2.674   2.674
  125   1HG2  THR  17          3HG2      THR  17 -18.555   5.237   5.237
  126   2HG2  THR  17          1HG2      THR  17 -20.082   6.040   6.040
  127   3HG2  THR  17          2HG2      THR  17 -18.698   6.088   6.088
  128    H    LEU  18           H        LEU  18 -18.961   4.347   4.347
  129    HA   LEU  18           HA       LEU  18 -16.250   5.541   5.541
  130   1HB   LEU  18          1HB       LEU  18 -16.844   6.503   6.503
  131   2HB   LEU  18          2HB       LEU  18 -18.003   6.893   6.893
  132    HG   LEU  18           HG       LEU  18 -18.658   4.495   4.495
  133   1HD1  LEU  18          2HD1      LEU  18 -17.815   6.152   6.152
  134   2HD1  LEU  18          3HD1      LEU  18 -18.910   7.401   7.401
  135   3HD1  LEU  18          1HD1      LEU  18 -19.570   5.951   5.951
  136   1HD2  LEU  18          3HD2      LEU  18 -20.268   5.225   5.225
  137   2HD2  LEU  18          1HD2      LEU  18 -20.995   5.329   5.329
  138   3HD2  LEU  18          2HD2      LEU  18 -20.439   6.805   6.805
  139    H    GLU  19           H        GLU  19 -16.879   2.553   2.553
  140    HA   GLU  19           HA       GLU  19 -14.826   1.854   1.854
  141   1HB   GLU  19          1HB       GLU  19 -16.787   0.433   0.433
  142   2HB   GLU  19          2HB       GLU  19 -16.538   0.141   0.141
  143   1HG   GLU  19          1HG       GLU  19 -14.592  -0.816  -0.816
  144   2HG   GLU  19          2HG       GLU  19 -15.990  -1.737  -1.737
  145    H    ASP  20           H        ASP  20 -15.238   1.328   1.328
  146    HA   ASP  20           HA       ASP  20 -12.373   0.940   0.940
  147   1HB   ASP  20          1HB       ASP  20 -14.332   0.109   0.109
  148   2HB   ASP  20          2HB       ASP  20 -14.606   1.752   1.752
  149    H    LYS  21           H        LYS  21 -14.392   3.874   3.874
  150    HA   LYS  21           HA       LYS  21 -12.416   5.691   5.691
  151   1HB   LYS  21          1HB       LYS  21 -15.090   6.003   6.003
  152   2HB   LYS  21          2HB       LYS  21 -14.372   6.776   6.776
  153   1HG   LYS  21          1HG       LYS  21 -14.738   8.535   8.535
  154   2HG   LYS  21          2HG       LYS  21 -13.024   8.246   8.246
  155   1HD   LYS  21          1HD       LYS  21 -13.576   6.894   6.894
  156   2HD   LYS  21          2HD       LYS  21 -15.297   7.048   7.048
  157   1HE   LYS  21          1HE       LYS  21 -13.403   9.403   9.403
  158   2HE   LYS  21          2HE       LYS  21 -14.446   8.562   8.562
  159   1HZ   LYS  21          1HZ       LYS  21 -16.388   9.297   9.297
  160   2HZ   LYS  21          2HZ       LYS  21 -15.436  10.092  10.092
  161   3HZ   LYS  21          3HZ       LYS  21 -15.480  10.591  10.591
  162    H    ALA  22           H        ALA  22 -13.135   5.015   5.015
  163    HA   ALA  22           HA       ALA  22 -10.928   6.605   6.605
  164   1HB   ALA  22          2HB       ALA  22 -12.870   5.902   5.902
  165   2HB   ALA  22          3HB       ALA  22 -12.390   4.189   4.189
  166   3HB   ALA  22          1HB       ALA  22 -11.349   5.346   5.346
  167    H    ARG  23           H        ARG  23 -11.022   3.152   3.152
  168    HA   ARG  23           HA       ARG  23  -8.282   2.518   2.518
  169   1HB   ARG  23          1HB       ARG  23 -10.128   0.849   0.849
  170   2HB   ARG  23          2HB       ARG  23  -9.888   1.156   1.156
  171   1HG   ARG  23          1HG       ARG  23  -7.668   0.158   0.158
  172   2HG   ARG  23          2HG       ARG  23  -8.800  -0.920  -0.920
  173   1HD   ARG  23          1HD       ARG  23  -7.992  -0.195  -0.195
  174   2HD   ARG  23          2HD       ARG  23  -6.853   0.930   0.930
  175    HE   ARG  23           HE       ARG  23  -6.420  -1.821  -1.821
  176   1HH1  ARG  23          1HH1      ARG  23  -5.708   0.310   0.310
  177   2HH1  ARG  23          2HH1      ARG  23  -4.212  -0.678  -0.678
  178   1HH2  ARG  23          1HH2      ARG  23  -4.699  -2.864  -2.864
  179   2HH2  ARG  23          2HH2      ARG  23  -3.682  -2.353  -2.353
  180    H    GLU  24           H        GLU  24  -9.538   3.539   3.539
  181    HA   GLU  24           HA       GLU  24  -6.982   3.873   3.873
  182   1HB   GLU  24          1HB       GLU  24  -9.246   3.854   3.854
  183   2HB   GLU  24          2HB       GLU  24  -9.616   5.421   5.421
  184   1HG   GLU  24          1HG       GLU  24  -9.003   5.666   5.666
  185   2HG   GLU  24          2HG       GLU  24  -7.811   6.494   6.494
  186    H    LEU  25           H        LEU  25  -8.591   6.175   6.175
  187    HA   LEU  25           HA       LEU  25  -6.604   8.348   8.348
  188   1HB   LEU  25          1HB       LEU  25  -8.935   8.055   8.055
  189   2HB   LEU  25          2HB       LEU  25  -7.646   9.153   9.153
  190    HG   LEU  25           HG       LEU  25  -7.878  10.394  10.394
  191   1HD1  LEU  25          2HD1      LEU  25  -8.978   8.651   8.651
  192   2HD1  LEU  25          3HD1      LEU  25 -10.465   8.778   8.778
  193   3HD1  LEU  25          1HD1      LEU  25  -9.887  10.170  10.170
  194   1HD2  LEU  25          3HD2      LEU  25  -8.989  11.187  11.187
  195   2HD2  LEU  25          1HD2      LEU  25  -9.958  11.609  11.609
  196   3HD2  LEU  25          2HD2      LEU  25 -10.450  10.245  10.245
  197    H    ILE  26           H        ILE  26  -7.098   6.354   6.354
  198    HA   ILE  26           HA       ILE  26  -4.546   7.278   7.278
  199    HB   ILE  26           HB       ILE  26  -6.480   5.054   5.054
  200   1HG1  ILE  26          1HG1      ILE  26  -6.714   6.760   6.760
  201   2HG1  ILE  26          2HG1      ILE  26  -5.960   7.942   7.942
  202   1HG2  ILE  26          3HG2      ILE  26  -3.978   5.958   5.958
  203   2HG2  ILE  26          1HG2      ILE  26  -5.305   4.982   4.982
  204   3HG2  ILE  26          2HG2      ILE  26  -4.322   4.334   4.334
  205   1HD1  ILE  26          3HD1      ILE  26  -8.623   6.446   6.446
  206   2HD1  ILE  26          1HD1      ILE  26  -8.461   8.099   8.099
  207   3HD1  ILE  26          2HD1      ILE  26  -7.966   7.744   7.744
  208    H    SER  27           H        SER  27  -5.232   4.156   4.156
  209    HA   SER  27           HA       SER  27  -2.562   3.013   3.013
  210   1HB   SER  27          1HB       SER  27  -4.577   1.711   1.711
  211   2HB   SER  27          2HB       SER  27  -4.423   2.491   2.491
  212    HG   SER  27           HG       SER  27  -2.291   1.653   1.653
  213    H    ARG  28           H        ARG  28  -3.694   5.323   5.323
  214    HA   ARG  28           HA       ARG  28  -1.105   5.448   5.448
  215   1HB   ARG  28          1HB       ARG  28  -3.370   5.865   5.865
  216   2HB   ARG  28          2HB       ARG  28  -3.555   7.312   7.312
  217   1HG   ARG  28          1HG       ARG  28  -1.540   8.330   8.330
  218   2HG   ARG  28          2HG       ARG  28  -1.316   6.848   6.848
  219   1HD   ARG  28          1HD       ARG  28  -3.613   7.146   7.146
  220   2HD   ARG  28          2HD       ARG  28  -3.848   8.630   8.630
  221    HE   ARG  28           HE       ARG  28  -1.369   8.937   8.937
  222   1HH1  ARG  28          1HH1      ARG  28  -4.858   8.726   8.726
  223   2HH1  ARG  28          2HH1      ARG  28  -4.647   9.721   9.721
  224   1HH2  ARG  28          1HH2      ARG  28  -1.246  10.060  10.060
  225   2HH2  ARG  28          2HH2      ARG  28  -2.738  10.424  10.424
  226    H    ILE  29           H        ILE  29  -2.749   7.383   7.383
  227    HA   ILE  29           HA       ILE  29  -0.570   9.445   9.445
  228    HB   ILE  29           HB       ILE  29  -3.145   8.985   8.985
  229   1HG1  ILE  29          1HG1      ILE  29  -2.490  11.238  11.238
  230   2HG1  ILE  29          2HG1      ILE  29  -3.309   9.779   9.779
  231   1HG2  ILE  29          3HG2      ILE  29  -1.107  11.262  11.262
  232   2HG2  ILE  29          1HG2      ILE  29  -2.761  11.340  11.340
  233   3HG2  ILE  29          2HG2      ILE  29  -1.624  10.148  10.148
  234   1HD1  ILE  29          3HD1      ILE  29  -5.204  10.264  10.264
  235   2HD1  ILE  29          1HD1      ILE  29  -4.441  11.838  11.838
  236   3HD1  ILE  29          2HD1      ILE  29  -5.007  11.468  11.468
  237    H    LYS  30           H        LYS  30  -1.830   7.800   7.800
  238    HA   LYS  30           HA       LYS  30  -0.737   7.192   7.192
  239   1HB   LYS  30          1HB       LYS  30  -0.207   5.208   5.208
  240   2HB   LYS  30          2HB       LYS  30   1.435   5.677   5.677
  241   1HG   LYS  30          1HG       LYS  30   0.956   3.847   3.847
  242   2HG   LYS  30          2HG       LYS  30   0.968   5.238   5.238
  243   1HD   LYS  30          1HD       LYS  30  -1.581   5.303   5.303
  244   2HD   LYS  30          2HD       LYS  30  -1.568   3.912   3.912
  245   1HE   LYS  30          1HE       LYS  30  -0.438   2.519   2.519
  246   2HE   LYS  30          2HE       LYS  30  -0.444   3.919   3.919
  247   1HZ   LYS  30          1HZ       LYS  30  -2.877   2.628   2.628
  248   2HZ   LYS  30          2HZ       LYS  30  -2.335   2.474   2.474
  249   3HZ   LYS  30          3HZ       LYS  30  -2.882   3.935   3.935
  250    H    GLN  31           H        GLN  31   0.592   9.522   9.522
  251    HA   GLN  31           HA       GLN  31   2.976  10.019  10.019
  252   1HB   GLN  31          1HB       GLN  31   3.270   9.363   9.363
  253   2HB   GLN  31          2HB       GLN  31   4.492  10.296  10.296
  254   1HG   GLN  31          1HG       GLN  31   4.853   8.438   8.438
  255   2HG   GLN  31          2HG       GLN  31   3.718   7.432   7.432
  256   1HE2  GLN  31          2HE2      GLN  31   6.150   6.537   6.537
  257   2HE2  GLN  31          1HE2      GLN  31   4.435   6.388   6.388
  258    H    SER  32           H        SER  32   0.488  11.444  11.444
  259    HA   SER  32           HA       SER  32   1.896  14.149  14.149
  260   1HB   SER  32          1HB       SER  32   2.566  12.974  12.974
  261   2HB   SER  32          2HB       SER  32   0.870  12.742  12.742
  262    HG   SER  32           HG       SER  32   0.649  15.027  15.027
  263    H    GLU  33           H        GLU  33   0.471  15.185  15.185
  264    HA   GLU  33           HA       GLU  33  -1.398  16.353  16.353
  265   1HB   GLU  33          1HB       GLU  33  -1.194  17.165  17.165
  266   2HB   GLU  33          2HB       GLU  33  -2.472  16.055  16.055
  267   1HG   GLU  33          1HG       GLU  33  -4.103  17.257  17.257
  268   2HG   GLU  33          2HG       GLU  33  -2.807  18.299  18.299
  269    H    LEU  34           H        LEU  34  -1.742  13.187  13.187
  270    HA   LEU  34           HA       LEU  34  -4.158  12.908  12.908
  271   1HB   LEU  34          1HB       LEU  34  -3.586  11.076  11.076
  272   2HB   LEU  34          2HB       LEU  34  -2.013  10.896  10.896
  273    HG   LEU  34           HG       LEU  34  -4.771  10.115  10.115
  274   1HD1  LEU  34          2HD1      LEU  34  -3.604   8.591   8.591
  275   2HD1  LEU  34          3HD1      LEU  34  -2.211   8.473   8.473
  276   3HD1  LEU  34          1HD1      LEU  34  -3.780   7.807   7.807
  277   1HD2  LEU  34          2HD2      LEU  34  -2.129   9.859   9.859
  278   2HD2  LEU  34          3HD2      LEU  34  -3.535  10.855  10.855
  279   3HD2  LEU  34          1HD2      LEU  34  -3.671   9.094   9.094
  280    H    SER  35           H        SER  35  -0.618  12.585  12.585
  281    HA   SER  35           HA       SER  35   0.006  13.624  13.624
  282   1HB   SER  35          1HB       SER  35   0.268  10.714  10.714
  283   2HB   SER  35          2HB       SER  35   1.301  11.384  11.384
  284    HG   SER  35           HG       SER  35  -1.526  11.331  11.331
  285    H    ALA  36           H        ALA  36   1.484  15.011  15.011
  286    HA   ALA  36           HA       ALA  36   3.348  14.420  14.420
  287   1HB   ALA  36          2HB       ALA  36   2.290  16.617  16.617
  288   2HB   ALA  36          3HB       ALA  36   3.104  16.977  16.977
  289   3HB   ALA  36          1HB       ALA  36   4.058  16.754  16.754
  290    H    LYS  37           H        LYS  37   3.769  14.750  14.750
  291    HA   LYS  37           HA       LYS  37   6.717  14.357  14.357
  292   1HB   LYS  37          1HB       LYS  37   5.485  15.523  15.523
  293   2HB   LYS  37          2HB       LYS  37   4.898  13.955  13.955
  294   1HG   LYS  37          1HG       LYS  37   7.281  13.198  13.198
  295   2HG   LYS  37          2HG       LYS  37   7.881  14.715  14.715
  296   1HD   LYS  37          1HD       LYS  37   6.741  15.991  15.991
  297   2HD   LYS  37          2HD       LYS  37   6.127  14.473  14.473
  298   1HE   LYS  37          1HE       LYS  37   8.048  15.041  15.041
  299   2HE   LYS  37          2HE       LYS  37   8.516  13.649  13.649
  300   1HZ   LYS  37          3HZ       LYS  37   9.221  16.491  16.491
  301   2HZ   LYS  37          1HZ       LYS  37  10.240  15.346  15.346
  302   3HZ   LYS  37          2HZ       LYS  37   9.670  15.198  15.198
  303    H    MET  38           H        MET  38   3.975  11.948  11.948
  304    HA   MET  38           HA       MET  38   5.504   9.571   9.571
  305   1HB   MET  38          1HB       MET  38   3.052  10.011  10.011
  306   2HB   MET  38          2HB       MET  38   2.998  10.489  10.489
  307   1HG   MET  38          1HG       MET  38   2.004   8.391   8.391
  308   2HG   MET  38          2HG       MET  38   3.228   8.335   8.335
  309   1HE   MET  38          3HE       MET  38   2.164   5.656   5.656
  310   2HE   MET  38          2HE       MET  38   3.111   5.103   5.103
  311   3HE   MET  38          1HE       MET  38   1.938   6.442   6.442
  312    H    ARG  39           H        ARG  39   5.554  11.819  11.819
  313    HA   ARG  39           HA       ARG  39   6.551   9.999   9.999
  314   1HB   ARG  39          1HB       ARG  39   5.719  12.452  12.452
  315   2HB   ARG  39          2HB       ARG  39   7.286  12.976  12.976
  316   1HG   ARG  39          1HG       ARG  39   8.314  11.645  11.645
  317   2HG   ARG  39          2HG       ARG  39   6.684  11.271  11.271
  318   1HD   ARG  39          1HD       ARG  39   7.928  14.082  14.082
  319   2HD   ARG  39          2HD       ARG  39   7.689  13.211  13.211
  320    HE   ARG  39           HE       ARG  39   5.056  13.366  13.366
  321   1HH1  ARG  39          1HH1      ARG  39   7.531  15.811  15.811
  322   2HH1  ARG  39          2HH1      ARG  39   6.229  17.088  17.088
  323   1HH2  ARG  39          1HH2      ARG  39   3.663  14.899  14.899
  324   2HH2  ARG  39          2HH2      ARG  39   4.190  16.605  16.605
  325    H    GLU  40           H        GLU  40   8.417  12.124  12.124
  326    HA   GLU  40           HA       GLU  40  11.030  10.949  10.949
  327   1HB   GLU  40          1HB       GLU  40  11.930  12.022  12.022
  328   2HB   GLU  40          2HB       GLU  40  11.053  13.122  13.122
  329   1HG   GLU  40          1HG       GLU  40   9.119  13.170  13.170
  330   2HG   GLU  40          2HG       GLU  40   9.873  11.956  11.956
  331    H    TRP  41           H        TRP  41   8.656  10.003  10.003
  332    HA   TRP  41           HA       TRP  41  10.237   7.858   7.858
  333   1HB   TRP  41          1HB       TRP  41   8.176   8.764   8.764
  334   2HB   TRP  41          2HB       TRP  41   7.187   8.132   8.132
  335    HD1  TRP  41           HD1      TRP  41   8.953   7.045   7.045
  336    HE1  TRP  41           HE1      TRP  41   8.329   4.570   4.570
  337    HE3  TRP  41           HE3      TRP  41   6.643   5.827   5.827
  338    HZ2  TRP  41           HZ2      TRP  41   6.992   2.444   2.444
  339    HZ3  TRP  41           HZ3      TRP  41   5.745   3.533   3.533
  340    HH2  TRP  41           HH2      TRP  41   5.924   1.870   1.870
  341    H    PHE  42           H        PHE  42   8.165   7.722   7.722
  342    HA   PHE  42           HA       PHE  42   8.567   4.796   4.796
  343   1HB   PHE  42          1HB       PHE  42   7.391   6.955   6.955
  344   2HB   PHE  42          2HB       PHE  42   7.945   5.495   5.495
  345    HD1  PHE  42           HD1      PHE  42   7.049   3.234   3.234
  346    HD2  PHE  42           HD2      PHE  42   5.218   6.885   6.885
  347    HE1  PHE  42           HE1      PHE  42   4.959   2.023   2.023
  348    HE2  PHE  42           HE2      PHE  42   3.150   5.668   5.668
  349    HZ   PHE  42           HZ       PHE  42   3.006   3.238   3.238
  350    H    SER  43           H        SER  43  10.361   7.604   7.604
  351    HA   SER  43           HA       SER  43  12.367   6.183   6.183
  352   1HB   SER  43          1HB       SER  43  12.573   8.934   8.934
  353   2HB   SER  43          2HB       SER  43  13.761   8.263   8.263
  354    HG   SER  43           HG       SER  43  12.103   8.108   8.108
  355    H    GLU  44           H        GLU  44  12.330   7.239   7.239
  356    HA   GLU  44           HA       GLU  44  14.922   6.135   6.135
  357   1HB   GLU  44          1HB       GLU  44  12.403   6.814   6.814
  358   2HB   GLU  44          2HB       GLU  44  13.833   6.169   6.169
  359   1HG   GLU  44          1HG       GLU  44  15.236   8.045   8.045
  360   2HG   GLU  44          2HG       GLU  44  14.034   8.671   8.671
  361    H    THR  45           H        THR  45  11.654   4.660   4.660
  362    HA   THR  45           HA       THR  45  12.610   2.200   2.200
  363    HB   THR  45           HB       THR  45   9.894   2.792   2.792
  364    HG1  THR  45           HG1      THR  45  10.855   2.977   2.977
  365   1HG2  THR  45          3HG2      THR  45  10.651   0.640   0.640
  366   2HG2  THR  45          1HG2      THR  45   8.997   1.064   1.064
  367   3HG2  THR  45          2HG2      THR  45  10.116   0.324   0.324
  368    H    PHE  46           H        PHE  46  11.302   2.671   2.671
  369    HA   PHE  46           HA       PHE  46  11.796  -0.084  -0.084
  370   1HB   PHE  46          1HB       PHE  46  10.086   1.418   1.418
  371   2HB   PHE  46          2HB       PHE  46  11.351   2.360   2.360
  372    HD1  PHE  46           HD2      PHE  46  10.573  -1.393  -1.393
  373    HD2  PHE  46           HD1      PHE  46  11.430   1.941   1.941
  374    HE1  PHE  46           HE2      PHE  46  10.438  -2.865  -2.865
  375    HE2  PHE  46           HE1      PHE  46  11.258   0.452   0.452
  376    HZ   PHE  46           HZ       PHE  46  10.784  -1.952  -1.952
  377    H    GLN  47           H        GLN  47  13.821   2.819   2.819
  378    HA   GLN  47           HA       GLN  47  15.916   1.355   1.355
  379   1HB   GLN  47          1HB       GLN  47  16.278   3.949   3.949
  380   2HB   GLN  47          2HB       GLN  47  17.414   3.293   3.293
  381   1HG   GLN  47          1HG       GLN  47  14.614   4.386   4.386
  382   2HG   GLN  47          2HG       GLN  47  16.143   5.179   5.179
  383   1HE2  GLN  47          2HE2      GLN  47  14.740   3.270   3.270
  384   2HE2  GLN  47          1HE2      GLN  47  13.855   4.141   4.141
  385    H    LYS  48           H        LYS  48  15.490   1.805   1.805
  386    HA   LYS  48           HA       LYS  48  18.044   0.609   0.609
  387   1HB   LYS  48          1HB       LYS  48  16.564   1.990   1.990
  388   2HB   LYS  48          2HB       LYS  48  15.348   0.721   0.721
  389   1HG   LYS  48          1HG       LYS  48  16.983  -0.819  -0.819
  390   2HG   LYS  48          2HG       LYS  48  18.219   0.426   0.426
  391   1HD   LYS  48          1HD       LYS  48  17.349   0.516   0.516
  392   2HD   LYS  48          2HD       LYS  48  16.846   1.967   1.967
  393   1HE   LYS  48          1HE       LYS  48  14.893   1.209   1.209
  394   2HE   LYS  48          2HE       LYS  48  14.470   0.907   0.907
  395   1HZ   LYS  48          2HZ       LYS  48  15.532  -1.132  -1.132
  396   2HZ   LYS  48          3HZ       LYS  48  13.965  -0.982  -0.982
  397   3HZ   LYS  48          1HZ       LYS  48  15.139  -1.433  -1.433
  398    H    VAL  49           H        VAL  49  14.843  -0.922  -0.922
  399    HA   VAL  49           HA       VAL  49  15.757  -3.691  -3.691
  400    HB   VAL  49           HB       VAL  49  13.614  -3.091  -3.091
  401   1HG1  VAL  49          1HG1      VAL  49  14.374  -5.485  -5.485
  402   2HG1  VAL  49          2HG1      VAL  49  13.923  -5.441  -5.441
  403   3HG1  VAL  49          3HG1      VAL  49  12.676  -5.287  -5.287
  404   1HG2  VAL  49          1HG2      VAL  49  13.073  -3.142  -3.142
  405   2HG2  VAL  49          2HG2      VAL  49  12.796  -1.778  -1.778
  406   3HG2  VAL  49          3HG2      VAL  49  11.819  -3.238  -3.238
  407    H    LYS  50           H        LYS  50  15.673  -1.606  -1.606
  408    HA   LYS  50           HA       LYS  50  16.556  -3.576  -3.576
  409   1HB   LYS  50          1HB       LYS  50  16.898  -0.517  -0.517
  410   2HB   LYS  50          2HB       LYS  50  17.343  -1.555  -1.555
  411   1HG   LYS  50          1HG       LYS  50  15.054  -2.372  -2.372
  412   2HG   LYS  50          2HG       LYS  50  14.487  -1.534  -1.534
  413   1HD   LYS  50          1HD       LYS  50  13.815  -0.327  -0.327
  414   2HD   LYS  50          2HD       LYS  50  14.895   0.684   0.684
  415   1HE   LYS  50          1HE       LYS  50  16.761   0.305   0.305
  416   2HE   LYS  50          2HE       LYS  50  15.870  -0.977  -0.977
  417   1HZ   LYS  50          3HZ       LYS  50  14.239   0.687   0.687
  418   2HZ   LYS  50          1HZ       LYS  50  15.069   1.890   1.890
  419   3HZ   LYS  50          2HZ       LYS  50  15.757   1.097   1.097
  420    H    GLU  51           H        GLU  51  18.604  -1.366  -1.366
  421    HA   GLU  51           HA       GLU  51  21.239  -2.118  -2.118
  422   1HB   GLU  51          1HB       GLU  51  20.286  -1.336  -1.336
  423   2HB   GLU  51          2HB       GLU  51  21.980  -1.576  -1.576
  424   1HG   GLU  51          1HG       GLU  51  22.013   0.262   0.262
  425   2HG   GLU  51          2HG       GLU  51  20.275   0.485   0.485
  426    H    LYS  52           H        LYS  52  19.103  -3.962  -3.962
  427    HA   LYS  52           HA       LYS  52  21.209  -6.087  -6.087
  428   1HB   LYS  52          1HB       LYS  52  18.297  -5.935  -5.935
  429   2HB   LYS  52          2HB       LYS  52  19.450  -7.193  -7.193
  430   1HG   LYS  52          1HG       LYS  52  20.910  -5.528  -5.528
  431   2HG   LYS  52          2HG       LYS  52  19.828  -4.218  -4.218
  432   1HD   LYS  52          1HD       LYS  52  17.916  -5.388  -5.388
  433   2HD   LYS  52          2HD       LYS  52  19.076  -6.596  -6.596
  434   1HE   LYS  52          1HE       LYS  52  18.847  -5.049  -5.049
  435   2HE   LYS  52          2HE       LYS  52  20.444  -4.745  -4.745
  436   1HZ   LYS  52          3HZ       LYS  52  17.994  -3.122  -3.122
  437   2HZ   LYS  52          1HZ       LYS  52  19.249  -2.687  -2.687
  438   3HZ   LYS  52          2HZ       LYS  52  19.484  -2.819  -2.819
  439    H    LEU  53           H        LEU  53  17.776  -6.195  -6.195
  440    HA   LEU  53           HA       LEU  53  18.252  -8.772  -8.772
  441   1HB   LEU  53          1HB       LEU  53  15.864  -6.980  -6.980
  442   2HB   LEU  53          2HB       LEU  53  15.706  -8.257  -8.257
  443    HG   LEU  53           HG       LEU  53  16.411  -9.959  -9.959
  444   1HD1  LEU  53          1HD2      LEU  53  16.184  -7.597  -7.597
  445   2HD1  LEU  53          2HD2      LEU  53  16.233  -9.319  -9.319
  446   3HD1  LEU  53          3HD2      LEU  53  17.635  -8.583  -8.583
  447   1HD2  LEU  53          2HD1      LEU  53  14.009  -9.542  -9.542
  448   2HD2  LEU  53          3HD1      LEU  53  14.188  -9.963  -9.963
  449   3HD2  LEU  53          1HD1      LEU  53  13.914  -8.266  -8.266
  450    H    LYS  54           H        LYS  54  17.117  -5.578  -5.578
  451    HA   LYS  54           HA       LYS  54  17.453  -4.515  -4.515
  452   1HB   LYS  54          1HB       LYS  54  18.551  -7.035  -7.035
  453   2HB   LYS  54          2HB       LYS  54  18.276  -5.518  -5.518
  454   1HG   LYS  54          1HG       LYS  54  20.146  -5.746  -5.746
  455   2HG   LYS  54          2HG       LYS  54  20.677  -6.037  -6.037
  456   1HD   LYS  54          1HD       LYS  54  20.129  -3.718  -3.718
  457   2HD   LYS  54          2HD       LYS  54  19.374  -3.378  -3.378
  458   1HE   LYS  54          1HE       LYS  54  21.520  -2.329  -2.329
  459   2HE   LYS  54          2HE       LYS  54  21.604  -3.696  -3.696
  460   1HZ   LYS  54          2HZ       LYS  54  22.691  -3.652  -3.652
  461   2HZ   LYS  54          3HZ       LYS  54  23.576  -3.547  -3.547
  462   3HZ   LYS  54          1HZ       LYS  54  22.778  -4.947  -4.947
  463    H    ILE  55           H        ILE  55  15.390  -4.067  -4.067
  464    HA   ILE  55           HA       ILE  55  13.556  -5.878  -5.878
  465    HB   ILE  55           HB       ILE  55  12.565  -3.987  -3.987
  466   1HG1  ILE  55          1HG1      ILE  55  11.833  -6.341  -6.341
  467   2HG1  ILE  55          2HG1      ILE  55  13.230  -6.969  -6.969
  468   1HG2  ILE  55          3HG2      ILE  55  10.935  -4.418  -4.418
  469   2HG2  ILE  55          1HG2      ILE  55  11.082  -6.172  -6.172
  470   3HG2  ILE  55          2HG2      ILE  55  10.384  -5.128  -5.128
  471   1HD1  ILE  55          3HD1      ILE  55  13.219  -4.648  -4.648
  472   2HD1  ILE  55          1HD1      ILE  55  13.682  -6.334  -6.334
  473   3HD1  ILE  55          2HD1      ILE  55  14.689  -5.329  -5.329
  474    H    ASP  56           H        ASP  56  13.687  -4.891  -4.891
  475    HA   ASP  56           HA       ASP  56  14.216  -2.097  -2.097
  476   1HB   ASP  56          1HB       ASP  56  14.680  -3.981  -3.981
  477   2HB   ASP  56          2HB       ASP  56  12.971  -4.103  -4.103
  478    H    SER  57           H        SER  57  11.014  -3.648  -3.648
  479    HA   SER  57           HA       SER  57   9.682  -0.958  -0.958
  480   1HB   SER  57          1HB       SER  57   9.094  -2.731  -2.731
  481   2HB   SER  57          2HB       SER  57   8.456  -3.761  -3.761
  482    HG   SER  57           HG       SER  57   7.012  -2.050  -2.050

  Start of MODEL    5
    1   1H    THR   1          2H        THR   1 -42.075  -4.032  -4.032
    2   2H    THR   1          3H        THR   1 -40.868  -4.754  -4.754
    3   3H    THR   1          1H        THR   1 -40.533  -3.441  -3.441
    4    HA   THR   1           HA       THR   1 -41.863  -2.015  -2.015
    5    HB   THR   1           HB       THR   1 -39.427  -2.316  -2.316
    6    HG1  THR   1           HG1      THR   1 -40.714  -0.745  -0.745
    7   1HG2  THR   1          2HG2      THR   1 -39.463  -4.622  -4.622
    8   2HG2  THR   1          3HG2      THR   1 -40.312  -3.912  -3.912
    9   3HG2  THR   1          1HG2      THR   1 -38.662  -3.374  -3.374
   10    HA   PRO   2           HA       PRO   2 -45.030  -4.280  -4.280
   11   1HB   PRO   2          1HB       PRO   2 -46.271  -2.195  -2.195
   12   2HB   PRO   2          2HB       PRO   2 -46.411  -2.318  -2.318
   13   1HG   PRO   2          1HG       PRO   2 -44.498  -0.548  -0.548
   14   2HG   PRO   2          2HG       PRO   2 -45.513  -0.116  -0.116
   15   1HD   PRO   2          1HD       PRO   2 -42.823  -0.756  -0.756
   16   2HD   PRO   2          2HD       PRO   2 -44.001  -1.131  -1.131
   17    H    ASP   3           H        ASP   3 -44.010  -5.596  -5.596
   18    HA   ASP   3           HA       ASP   3 -42.970  -6.520  -6.520
   19   1HB   ASP   3          1HB       ASP   3 -43.793  -4.028  -4.028
   20   2HB   ASP   3          2HB       ASP   3 -42.950  -5.395  -5.395
   21    H    VAL   4           H        VAL   4 -41.774  -3.421  -3.421
   22    HA   VAL   4           HA       VAL   4 -39.157  -3.979  -3.979
   23    HB   VAL   4           HB       VAL   4 -39.306  -4.763  -4.763
   24   1HG1  VAL   4          1HG1      VAL   4 -40.028  -2.648  -2.648
   25   2HG1  VAL   4          2HG1      VAL   4 -38.474  -1.897  -1.897
   26   3HG1  VAL   4          3HG1      VAL   4 -38.512  -3.303  -3.303
   27   1HG2  VAL   4          2HG2      VAL   4 -37.285  -4.894  -4.894
   28   2HG2  VAL   4          3HG2      VAL   4 -36.863  -4.513  -4.513
   29   3HG2  VAL   4          1HG2      VAL   4 -36.844  -3.226  -3.226
   30    H    SER   5           H        SER   5 -40.571  -1.461  -1.461
   31    HA   SER   5           HA       SER   5 -40.641   0.893   0.893
   32   1HB   SER   5          1HB       SER   5 -40.845   0.420   0.420
   33   2HB   SER   5          2HB       SER   5 -41.188   1.938   1.938
   34    HG   SER   5           HG       SER   5 -43.037   0.700   0.700
   35    H    SER   6           H        SER   6 -38.281   0.146   0.146
   36    HA   SER   6           HA       SER   6 -36.013   0.489   0.489
   37   1HB   SER   6          1HB       SER   6 -36.637   2.829   2.829
   38   2HB   SER   6          2HB       SER   6 -36.516   3.209   3.209
   39    HG   SER   6           HG       SER   6 -34.629   3.677   3.677
   40    H    ALA   7           H        ALA   7 -36.274  -1.363  -1.363
   41    HA   ALA   7           HA       ALA   7 -34.583  -0.803  -0.803
   42   1HB   ALA   7          1HB       ALA   7 -36.253  -3.304  -3.304
   43   2HB   ALA   7          2HB       ALA   7 -35.251  -3.051  -3.051
   44   3HB   ALA   7          3HB       ALA   7 -36.663  -2.017  -2.017
   45    H    LEU   8           H        LEU   8 -34.779  -3.398  -3.398
   46    HA   LEU   8           HA       LEU   8 -31.880  -3.914  -3.914
   47   1HB   LEU   8          1HB       LEU   8 -34.286  -4.825  -4.825
   48   2HB   LEU   8          2HB       LEU   8 -32.708  -5.102  -5.102
   49    HG   LEU   8           HG       LEU   8 -33.555  -7.076  -7.076
   50   1HD1  LEU   8          3HD1      LEU   8 -31.073  -6.736  -6.736
   51   2HD1  LEU   8          1HD1      LEU   8 -31.188  -6.056  -6.056
   52   3HD1  LEU   8          2HD1      LEU   8 -31.640  -7.750  -7.750
   53   1HD2  LEU   8          3HD2      LEU   8 -35.053  -6.089  -6.089
   54   2HD2  LEU   8          1HD2      LEU   8 -34.010  -7.372  -7.372
   55   3HD2  LEU   8          2HD2      LEU   8 -33.631  -5.666  -5.666
   56    H    ASP   9           H        ASP   9 -33.847  -1.660  -1.660
   57    HA   ASP   9           HA       ASP   9 -31.909  -1.168  -1.168
   58   1HB   ASP   9          1HB       ASP   9 -34.416  -0.508  -0.508
   59   2HB   ASP   9          2HB       ASP   9 -33.990   0.859   0.859
   60    H    LYS  10           H        LYS  10 -32.483   0.719   0.719
   61    HA   LYS  10           HA       LYS  10 -30.131   2.434   2.434
   62   1HB   LYS  10          2HB       LYS  10 -30.416   3.149   3.149
   63   2HB   LYS  10          1HB       LYS  10 -31.961   3.101   3.101
   64   1HG   LYS  10          1HG       LYS  10 -32.520   0.923   0.923
   65   2HG   LYS  10          2HG       LYS  10 -30.963   0.984   0.984
   66   1HD   LYS  10          1HD       LYS  10 -31.609   3.213   3.213
   67   2HD   LYS  10          2HD       LYS  10 -33.182   3.117   3.117
   68   1HE   LYS  10          1HE       LYS  10 -33.687   0.962   0.962
   69   2HE   LYS  10          2HE       LYS  10 -32.111   1.059   1.059
   70   1HZ   LYS  10          3HZ       LYS  10 -32.808   3.187   3.187
   71   2HZ   LYS  10          1HZ       LYS  10 -34.279   3.094   3.094
   72   3HZ   LYS  10          2HZ       LYS  10 -33.866   1.984   1.984
   73    H    LEU  11           H        LEU  11 -30.314  -0.846  -0.846
   74    HA   LEU  11           HA       LEU  11 -27.581  -0.809  -0.809
   75   1HB   LEU  11          1HB       LEU  11 -29.418  -3.157  -3.157
   76   2HB   LEU  11          2HB       LEU  11 -27.868  -3.363  -3.363
   77    HG   LEU  11           HG       LEU  11 -30.158  -1.716  -1.716
   78   1HD1  LEU  11          3HD2      LEU  11 -30.847  -4.096  -4.096
   79   2HD1  LEU  11          1HD2      LEU  11 -29.367  -4.644  -4.644
   80   3HD1  LEU  11          2HD2      LEU  11 -30.594  -3.696  -3.696
   81   1HD2  LEU  11          1HD1      LEU  11 -27.539  -2.763  -2.763
   82   2HD2  LEU  11          2HD1      LEU  11 -27.938  -1.061  -1.061
   83   3HD2  LEU  11          3HD1      LEU  11 -28.865  -1.959  -1.959
   84    H    LYS  12           H        LYS  12 -28.826  -1.986  -1.986
   85    HA   LYS  12           HA       LYS  12 -26.092  -2.733  -2.733
   86   1HB   LYS  12          1HB       LYS  12 -26.987  -3.185  -3.185
   87   2HB   LYS  12          2HB       LYS  12 -28.027  -3.901  -3.901
   88   1HG   LYS  12          1HG       LYS  12 -29.704  -2.036  -2.036
   89   2HG   LYS  12          2HG       LYS  12 -28.643  -1.261  -1.261
   90   1HD   LYS  12          1HD       LYS  12 -28.797  -3.313  -3.313
   91   2HD   LYS  12          2HD       LYS  12 -29.858  -4.074  -4.074
   92   1HE   LYS  12          1HE       LYS  12 -31.251  -3.199  -3.199
   93   2HE   LYS  12          2HE       LYS  12 -31.581  -2.242  -2.242
   94   1HZ   LYS  12          1HZ       LYS  12 -29.813  -1.412  -1.412
   95   2HZ   LYS  12          2HZ       LYS  12 -31.338  -0.851  -0.851
   96   3HZ   LYS  12          3HZ       LYS  12 -30.110  -0.500  -0.500
   97    H    GLU  13           H        GLU  13 -27.836   0.310   0.310
   98    HA   GLU  13           HA       GLU  13 -25.850   1.537   1.537
   99   1HB   GLU  13          1HB       GLU  13 -28.081   2.920   2.920
  100   2HB   GLU  13          2HB       GLU  13 -27.033   3.722   3.722
  101   1HG   GLU  13          1HG       GLU  13 -29.116   1.551   1.551
  102   2HG   GLU  13          2HG       GLU  13 -29.280   3.270   3.270
  103    H    PHE  14           H        PHE  14 -26.587   1.875   1.875
  104    HA   PHE  14           HA       PHE  14 -23.801   3.001   3.001
  105   1HB   PHE  14          1HB       PHE  14 -25.822   3.881   3.881
  106   2HB   PHE  14          2HB       PHE  14 -26.009   2.319   2.319
  107    HD1  PHE  14           HD1      PHE  14 -23.692   5.261   5.261
  108    HD2  PHE  14           HD2      PHE  14 -24.569   1.712   1.712
  109    HE1  PHE  14           HE1      PHE  14 -22.091   5.961   5.961
  110    HE2  PHE  14           HE2      PHE  14 -22.956   2.425   2.425
  111    HZ   PHE  14           HZ       PHE  14 -21.714   4.546   4.546
  112    H    GLY  15           H        GLY  15 -22.999   1.126   1.126
  113   1HA   GLY  15          1HA       GLY  15 -21.978  -1.129  -1.129
  114   2HA   GLY  15          2HA       GLY  15 -23.391  -1.598  -1.598
  115    H    ASN  16           H        ASN  16 -23.277  -0.739  -0.739
  116    HA   ASN  16           HA       ASN  16 -20.856  -1.508  -1.508
  117   1HB   ASN  16          1HB       ASN  16 -23.336  -1.424  -1.424
  118   2HB   ASN  16          2HB       ASN  16 -23.157   0.298   0.298
  119   1HD2  ASN  16          1HD2      ASN  16 -21.408  -2.115  -2.115
  120   2HD2  ASN  16          2HD2      ASN  16 -22.074  -2.802  -2.802
  121    H    THR  17           H        THR  17 -22.012   1.716   1.716
  122    HA   THR  17           HA       THR  17 -19.934   3.303   3.303
  123    HB   THR  17           HB       THR  17 -21.537   4.005   4.005
  124    HG1  THR  17           HG1      THR  17 -21.881   4.629   4.629
  125   1HG2  THR  17          2HG2      THR  17 -19.986   5.876   5.876
  126   2HG2  THR  17          3HG2      THR  17 -21.076   6.395   6.395
  127   3HG2  THR  17          1HG2      THR  17 -19.560   5.559   5.559
  128    H    LEU  18           H        LEU  18 -20.054   2.235   2.235
  129    HA   LEU  18           HA       LEU  18 -17.055   2.534   2.534
  130   1HB   LEU  18          1HB       LEU  18 -17.229   2.026   2.026
  131   2HB   LEU  18          2HB       LEU  18 -18.287   3.332   3.332
  132    HG   LEU  18           HG       LEU  18 -19.525   0.538   0.538
  133   1HD1  LEU  18          2HD1      LEU  18 -18.107   0.517   0.517
  134   2HD1  LEU  18          3HD1      LEU  18 -18.821   2.058   2.058
  135   3HD1  LEU  18          1HD1      LEU  18 -19.829   0.590   0.590
  136   1HD2  LEU  18          2HD2      LEU  18 -20.563   3.285   3.285
  137   2HD2  LEU  18          3HD2      LEU  18 -20.997   2.501   2.501
  138   3HD2  LEU  18          1HD2      LEU  18 -21.495   1.769   1.769
  139    H    GLU  19           H        GLU  19 -18.101   0.517   0.517
  140    HA   GLU  19           HA       GLU  19 -16.374  -1.793  -1.793
  141   1HB   GLU  19          1HB       GLU  19 -18.542  -2.281  -2.281
  142   2HB   GLU  19          2HB       GLU  19 -17.893  -1.533  -1.533
  143   1HG   GLU  19          1HG       GLU  19 -16.732  -4.016  -4.016
  144   2HG   GLU  19          2HG       GLU  19 -17.852  -4.070  -4.070
  145    H    ASP  20           H        ASP  20 -16.539   0.256   0.256
  146    HA   ASP  20           HA       ASP  20 -13.616   0.206   0.206
  147   1HB   ASP  20          1HB       ASP  20 -15.378   0.508   0.508
  148   2HB   ASP  20          2HB       ASP  20 -15.659   2.140   2.140
  149    H    LYS  21           H        LYS  21 -15.769   2.662   2.662
  150    HA   LYS  21           HA       LYS  21 -13.636   4.609   4.609
  151   1HB   LYS  21          1HB       LYS  21 -16.225   5.014   5.014
  152   2HB   LYS  21          2HB       LYS  21 -16.164   4.364   4.364
  153   1HG   LYS  21          1HG       LYS  21 -16.165   6.714   6.714
  154   2HG   LYS  21          2HG       LYS  21 -14.563   6.195   6.195
  155   1HD   LYS  21          1HD       LYS  21 -13.592   6.902   6.902
  156   2HD   LYS  21          2HD       LYS  21 -15.203   7.249   7.249
  157   1HE   LYS  21          1HE       LYS  21 -15.531   9.064   9.064
  158   2HE   LYS  21          2HE       LYS  21 -13.936   8.718   8.718
  159   1HZ   LYS  21          1HZ       LYS  21 -14.427   9.638   9.638
  160   2HZ   LYS  21          2HZ       LYS  21 -13.843  10.564  10.564
  161   3HZ   LYS  21          3HZ       LYS  21 -12.940   9.314   9.314
  162    H    ALA  22           H        ALA  22 -14.695   1.814   1.814
  163    HA   ALA  22           HA       ALA  22 -12.885   2.390   2.390
  164   1HB   ALA  22          2HB       ALA  22 -14.752   0.807   0.807
  165   2HB   ALA  22          3HB       ALA  22 -14.049  -0.307  -0.307
  166   3HB   ALA  22          1HB       ALA  22 -13.210   0.001   0.001
  167    H    ARG  23           H        ARG  23 -12.455   0.371   0.371
  168    HA   ARG  23           HA       ARG  23  -9.642  -0.303  -0.303
  169   1HB   ARG  23          1HB       ARG  23 -11.348   0.171   0.171
  170   2HB   ARG  23          2HB       ARG  23  -9.685  -0.352  -0.352
  171   1HG   ARG  23          1HG       ARG  23 -10.088  -2.483  -2.483
  172   2HG   ARG  23          2HG       ARG  23 -11.630  -1.995  -1.995
  173   1HD   ARG  23          1HD       ARG  23 -12.025  -3.493  -3.493
  174   2HD   ARG  23          2HD       ARG  23 -12.718  -1.904  -1.904
  175    HE   ARG  23           HE       ARG  23  -9.975  -2.349  -2.349
  176   1HH1  ARG  23          1HH1      ARG  23 -13.481  -2.465  -2.465
  177   2HH1  ARG  23          2HH1      ARG  23 -13.183  -2.372  -2.372
  178   1HH2  ARG  23          1HH2      ARG  23  -9.761  -2.246  -2.246
  179   2HH2  ARG  23          2HH2      ARG  23 -11.221  -2.257  -2.257
  180    H    GLU  24           H        GLU  24 -11.020   2.804   2.804
  181    HA   GLU  24           HA       GLU  24  -8.432   4.013   4.013
  182   1HB   GLU  24          1HB       GLU  24 -10.994   5.440   5.440
  183   2HB   GLU  24          2HB       GLU  24  -9.582   6.254   6.254
  184   1HG   GLU  24          1HG       GLU  24 -11.366   4.337   4.337
  185   2HG   GLU  24          2HG       GLU  24 -11.384   6.084   6.084
  186    H    LEU  25           H        LEU  25 -10.134   3.849   3.849
  187    HA   LEU  25           HA       LEU  25  -7.988   5.319   5.319
  188   1HB   LEU  25          1HB       LEU  25 -10.215   3.490   3.490
  189   2HB   LEU  25          2HB       LEU  25  -8.993   4.190   4.190
  190    HG   LEU  25           HG       LEU  25 -10.912   5.467   5.467
  191   1HD1  LEU  25          2HD1      LEU  25  -8.774   6.788   6.788
  192   2HD1  LEU  25          3HD1      LEU  25  -9.076   7.253   7.253
  193   3HD1  LEU  25          1HD1      LEU  25 -10.193   7.773   7.773
  194   1HD2  LEU  25          2HD2      LEU  25 -12.174   4.973   4.973
  195   2HD2  LEU  25          3HD2      LEU  25 -12.192   6.704   6.704
  196   3HD2  LEU  25          1HD2      LEU  25 -11.147   6.106   6.106
  197    H    ILE  26           H        ILE  26  -8.370   1.866   1.866
  198    HA   ILE  26           HA       ILE  26  -6.113   0.940   0.940
  199    HB   ILE  26           HB       ILE  26  -7.137  -0.417  -0.417
  200   1HG1  ILE  26          1HG1      ILE  26  -9.078  -0.322  -0.322
  201   2HG1  ILE  26          2HG1      ILE  26  -8.486  -1.952  -1.952
  202   1HG2  ILE  26          2HG2      ILE  26  -4.936  -1.325  -1.325
  203   2HG2  ILE  26          3HG2      ILE  26  -5.494  -1.607  -1.607
  204   3HG2  ILE  26          1HG2      ILE  26  -6.187  -2.533  -2.533
  205   1HD1  ILE  26          2HD1      ILE  26  -7.537  -1.584  -1.584
  206   2HD1  ILE  26          3HD1      ILE  26  -8.177   0.084   0.084
  207   3HD1  ILE  26          1HD1      ILE  26  -9.292  -1.299  -1.299
  208    H    SER  27           H        SER  27  -6.244   1.827   1.827
  209    HA   SER  27           HA       SER  27  -3.377   1.703   1.703
  210   1HB   SER  27          1HB       SER  27  -3.787   3.029   3.029
  211   2HB   SER  27          2HB       SER  27  -4.963   1.732   1.732
  212    HG   SER  27           HG       SER  27  -5.905   3.700   3.700
  213    H    ARG  28           H        ARG  28  -5.314   4.495   4.495
  214    HA   ARG  28           HA       ARG  28  -3.157   6.444   6.444
  215   1HB   ARG  28          1HB       ARG  28  -5.634   6.919   6.919
  216   2HB   ARG  28          2HB       ARG  28  -5.744   6.133   6.133
  217   1HG   ARG  28          1HG       ARG  28  -4.162   7.910   7.910
  218   2HG   ARG  28          2HG       ARG  28  -4.130   8.686   8.686
  219   1HD   ARG  28          1HD       ARG  28  -6.647   9.020   9.020
  220   2HD   ARG  28          2HD       ARG  28  -6.681   8.199   8.199
  221    HE   ARG  28           HE       ARG  28  -4.779  10.435  10.435
  222   1HH1  ARG  28          1HH1      ARG  28  -8.285   9.839   9.839
  223   2HH1  ARG  28          2HH1      ARG  28  -8.594  11.419  11.419
  224   1HH2  ARG  28          1HH2      ARG  28  -5.249  12.210  12.210
  225   2HH2  ARG  28          2HH2      ARG  28  -6.988  12.668  12.668
  226    H    ILE  29           H        ILE  29  -4.301   3.977   3.977
  227    HA   ILE  29           HA       ILE  29  -2.487   4.698   4.698
  228    HB   ILE  29           HB       ILE  29  -4.275   2.345   2.345
  229   1HG1  ILE  29          1HG1      ILE  29  -5.276   4.357   4.357
  230   2HG1  ILE  29          2HG1      ILE  29  -5.459   2.938   2.938
  231   1HG2  ILE  29          3HG2      ILE  29  -2.266   2.139   2.139
  232   2HG2  ILE  29          1HG2      ILE  29  -3.749   1.152   1.152
  233   3HG2  ILE  29          2HG2      ILE  29  -2.474   1.029   1.029
  234   1HD1  ILE  29          2HD1      ILE  29  -3.537   3.756   3.756
  235   2HD1  ILE  29          3HD1      ILE  29  -3.445   5.232   5.232
  236   3HD1  ILE  29          1HD1      ILE  29  -4.923   4.881   4.881
  237    H    LYS  30           H        LYS  30  -2.221   1.864   1.864
  238    HA   LYS  30           HA       LYS  30   0.557   1.383   1.383
  239   1HB   LYS  30          1HB       LYS  30   0.543  -0.437  -0.437
  240   2HB   LYS  30          2HB       LYS  30  -1.004  -0.373  -0.373
  241   1HG   LYS  30          1HG       LYS  30  -1.819   1.005   1.005
  242   2HG   LYS  30          2HG       LYS  30  -0.350   0.456   0.456
  243   1HD   LYS  30          1HD       LYS  30  -2.516  -1.359  -1.359
  244   2HD   LYS  30          2HD       LYS  30  -2.459  -0.925  -0.925
  245   1HE   LYS  30          1HE       LYS  30  -0.259  -2.553  -2.553
  246   2HE   LYS  30          2HE       LYS  30  -1.571  -3.247  -3.247
  247   1HZ   LYS  30          1HZ       LYS  30  -0.715  -2.097  -2.097
  248   2HZ   LYS  30          2HZ       LYS  30   0.521  -1.435  -1.435
  249   3HZ   LYS  30          3HZ       LYS  30   0.444  -3.072  -3.072
  250    H    GLN  31           H        GLN  31  -0.198   3.863   3.863
  251    HA   GLN  31           HA       GLN  31   2.464   4.078   4.078
  252   1HB   GLN  31          1HB       GLN  31  -0.107   5.341   5.341
  253   2HB   GLN  31          2HB       GLN  31   1.482   5.726   5.726
  254   1HG   GLN  31          1HG       GLN  31   1.844   3.379   3.379
  255   2HG   GLN  31          2HG       GLN  31   0.310   2.882   2.882
  256   1HE2  GLN  31          2HE2      GLN  31   0.258   4.734   4.734
  257   2HE2  GLN  31          1HE2      GLN  31   1.802   4.528   4.528
  258    H    SER  32           H        SER  32   0.413   5.507   5.507
  259    HA   SER  32           HA       SER  32   2.376   7.731   7.731
  260   1HB   SER  32          1HB       SER  32   0.785   8.783   8.783
  261   2HB   SER  32          2HB       SER  32  -0.591   8.397   8.397
  262    HG   SER  32           HG       SER  32   1.652  10.002  10.002
  263    H    GLU  33           H        GLU  33   2.530   8.030   8.030
  264    HA   GLU  33           HA       GLU  33   2.413   7.740   7.740
  265   1HB   GLU  33          1HB       GLU  33   0.640   7.980   7.980
  266   2HB   GLU  33          2HB       GLU  33   0.348   9.016   9.016
  267   1HG   GLU  33          1HG       GLU  33  -1.448   7.541   7.541
  268   2HG   GLU  33          2HG       GLU  33  -1.034   6.269   6.269
  269    H    LEU  34           H        LEU  34   1.476   5.064   5.064
  270    HA   LEU  34           HA       LEU  34   2.694   3.252   3.252
  271   1HB   LEU  34          1HB       LEU  34   1.058   2.127   2.127
  272   2HB   LEU  34          2HB       LEU  34   2.017   2.647   2.647
  273    HG   LEU  34           HG       LEU  34   4.006   1.289   1.289
  274   1HD1  LEU  34          2HD1      LEU  34   3.281   1.027   1.027
  275   2HD1  LEU  34          3HD1      LEU  34   1.872   0.059   0.059
  276   3HD1  LEU  34          1HD1      LEU  34   3.531  -0.550  -0.550
  277   1HD2  LEU  34          1HD2      LEU  34   2.713   0.478   0.478
  278   2HD2  LEU  34          2HD2      LEU  34   3.211  -0.869  -0.869
  279   3HD2  LEU  34          3HD2      LEU  34   1.519  -0.296  -0.296
  280    H    SER  35           H        SER  35   3.297   4.933   4.933
  281    HA   SER  35           HA       SER  35   6.220   4.272   4.272
  282   1HB   SER  35          1HB       SER  35   4.553   6.024   6.024
  283   2HB   SER  35          2HB       SER  35   6.256   5.617   5.617
  284    HG   SER  35           HG       SER  35   5.663   3.415   3.415
  285    H    ALA  36           H        ALA  36   5.581   7.533   7.533
  286    HA   ALA  36           HA       ALA  36   6.631   9.569   9.569
  287   1HB   ALA  36          1HB       ALA  36   4.969   9.389   9.389
  288   2HB   ALA  36          2HB       ALA  36   6.133   8.505   8.505
  289   3HB   ALA  36          3HB       ALA  36   6.471  10.183  10.183
  290    H    LYS  37           H        LYS  37   8.033   7.079   7.079
  291    HA   LYS  37           HA       LYS  37  10.859   7.990   7.990
  292   1HB   LYS  37          1HB       LYS  37   9.745   5.482   5.482
  293   2HB   LYS  37          2HB       LYS  37  11.444   5.738   5.738
  294   1HG   LYS  37          1HG       LYS  37  11.103   6.345   6.345
  295   2HG   LYS  37          2HG       LYS  37  11.497   7.800   7.800
  296   1HD   LYS  37          1HD       LYS  37   9.813   8.268   8.268
  297   2HD   LYS  37          2HD       LYS  37   9.133   8.575   8.575
  298   1HE   LYS  37          1HE       LYS  37   7.918   6.317   6.317
  299   2HE   LYS  37          2HE       LYS  37   8.622   6.030   6.030
  300   1HZ   LYS  37          1HZ       LYS  37   6.821   8.300   8.300
  301   2HZ   LYS  37          2HZ       LYS  37   6.394   6.954   6.954
  302   3HZ   LYS  37          3HZ       LYS  37   7.469   8.034   8.034
  303    H    MET  38           H        MET  38   8.710   5.363   5.363
  304    HA   MET  38           HA       MET  38  10.735   4.387   4.387
  305   1HB   MET  38          1HB       MET  38   7.675   3.979   3.979
  306   2HB   MET  38          2HB       MET  38   8.817   3.113   3.113
  307   1HG   MET  38          1HG       MET  38   8.331   2.847   2.847
  308   2HG   MET  38          2HG       MET  38   8.016   1.677   1.677
  309   1HE   MET  38          2HE       MET  38   9.892   0.213   0.213
  310   2HE   MET  38          1HE       MET  38  10.776   1.644   1.644
  311   3HE   MET  38          3HE       MET  38  11.652   0.375   0.375
  312    H    ARG  39           H        ARG  39   9.204   7.349   7.349
  313    HA   ARG  39           HA       ARG  39   9.113   7.450   7.450
  314   1HB   ARG  39          1HB       ARG  39   6.893   7.111   7.111
  315   2HB   ARG  39          2HB       ARG  39   7.094   8.402   8.402
  316   1HG   ARG  39          1HG       ARG  39   7.000  10.124  10.124
  317   2HG   ARG  39          2HG       ARG  39   6.985   8.890   8.890
  318   1HD   ARG  39          1HD       ARG  39   4.692   9.797   9.797
  319   2HD   ARG  39          2HD       ARG  39   4.784   8.074   8.074
  320    HE   ARG  39           HE       ARG  39   4.601   8.365   8.365
  321   1HH1  ARG  39          1HH1      ARG  39   4.417  11.490  11.490
  322   2HH1  ARG  39          2HH1      ARG  39   3.877  12.305  12.305
  323   1HH2  ARG  39          1HH2      ARG  39   3.934   9.386   9.386
  324   2HH2  ARG  39          2HH2      ARG  39   3.624  11.193  11.193
  325    H    GLU  40           H        GLU  40   8.816   9.901   9.901
  326    HA   GLU  40           HA       GLU  40  10.302  11.917  11.917
  327   1HB   GLU  40          1HB       GLU  40   8.496  12.387  12.387
  328   2HB   GLU  40          2HB       GLU  40   9.637  11.970  11.970
  329   1HG   GLU  40          1HG       GLU  40  11.166  13.865  13.865
  330   2HG   GLU  40          2HG       GLU  40   9.973  14.258  14.258
  331    H    TRP  41           H        TRP  41  11.305  10.130  10.130
  332    HA   TRP  41           HA       TRP  41  14.177  10.802  10.802
  333   1HB   TRP  41          1HB       TRP  41  13.075  10.038  10.038
  334   2HB   TRP  41          2HB       TRP  41  12.706   8.492   8.492
  335    HD1  TRP  41           HD1      TRP  41  15.463  10.324  10.324
  336    HE1  TRP  41           HE1      TRP  41  17.439   8.696   8.696
  337    HE3  TRP  41           HE3      TRP  41  14.056   6.473   6.473
  338    HZ2  TRP  41           HZ2      TRP  41  18.119   6.032   6.032
  339    HZ3  TRP  41           HZ3      TRP  41  15.408   4.405   4.405
  340    HH2  TRP  41           HH2      TRP  41  17.405   4.185   4.185
  341    H    PHE  42           H        PHE  42  12.262   8.185   8.185
  342    HA   PHE  42           HA       PHE  42  14.537   6.543   6.543
  343   1HB   PHE  42          1HB       PHE  42  11.997   5.903   5.903
  344   2HB   PHE  42          2HB       PHE  42  11.992   6.648   6.648
  345    HD1  PHE  42           HD2      PHE  42  13.387   3.894   3.894
  346    HD2  PHE  42           HD1      PHE  42  13.171   5.468   5.468
  347    HE1  PHE  42           HE2      PHE  42  14.262   1.775   1.775
  348    HE2  PHE  42           HE1      PHE  42  14.049   3.340   3.340
  349    HZ   PHE  42           HZ       PHE  42  14.595   1.492   1.492
  350    H    SER  43           H        SER  43  12.978   9.199   9.199
  351    HA   SER  43           HA       SER  43  14.617   9.190   9.190
  352   1HB   SER  43          1HB       SER  43  13.572  11.348  11.348
  353   2HB   SER  43          2HB       SER  43  12.369  10.139  10.139
  354    HG   SER  43           HG       SER  43  12.314  11.057  11.057
  355    H    GLU  44           H        GLU  44  14.791  11.003  11.003
  356    HA   GLU  44           HA       GLU  44  17.149  12.631  12.631
  357   1HB   GLU  44          1HB       GLU  44  15.962  11.744  11.744
  358   2HB   GLU  44          2HB       GLU  44  17.345  12.793  12.793
  359   1HG   GLU  44          1HG       GLU  44  14.603  13.478  13.478
  360   2HG   GLU  44          2HG       GLU  44  15.144  13.978  13.978
  361    H    THR  45           H        THR  45  16.913   9.438   9.438
  362    HA   THR  45           HA       THR  45  19.864   9.377   9.377
  363    HB   THR  45           HB       THR  45  17.750   7.326   7.326
  364    HG1  THR  45           HG1      THR  45  17.826   8.406   8.406
  365   1HG2  THR  45          2HG2      THR  45  20.143   6.481   6.481
  366   2HG2  THR  45          3HG2      THR  45  20.505   7.874   7.874
  367   3HG2  THR  45          1HG2      THR  45  19.317   6.651   6.651
  368    H    PHE  46           H        PHE  46  17.701   7.025   7.025
  369    HA   PHE  46           HA       PHE  46  19.271   5.066   5.066
  370   1HB   PHE  46          1HB       PHE  46  16.856   5.370   5.370
  371   2HB   PHE  46          2HB       PHE  46  17.298   6.211   6.211
  372    HD1  PHE  46           HD2      PHE  46  18.047   2.938   2.938
  373    HD2  PHE  46           HD1      PHE  46  17.083   4.825   4.825
  374    HE1  PHE  46           HE2      PHE  46  17.838   0.733   0.733
  375    HE2  PHE  46           HE1      PHE  46  16.837   2.611   2.611
  376    HZ   PHE  46           HZ       PHE  46  17.212   0.562   0.562
  377    H    GLN  47           H        GLN  47  20.814   4.723   4.723
  378    HA   GLN  47           HA       GLN  47  22.828   4.595   4.595
  379   1HB   GLN  47          1HB       GLN  47  22.590   7.649   7.649
  380   2HB   GLN  47          2HB       GLN  47  24.062   6.789   6.789
  381   1HG   GLN  47          1HG       GLN  47  22.996   5.663   5.663
  382   2HG   GLN  47          2HG       GLN  47  21.445   6.389   6.389
  383   1HE2  GLN  47          2HE2      GLN  47  22.358   9.551   9.551
  384   2HE2  GLN  47          1HE2      GLN  47  21.147   8.622   8.622
  385    H    LYS  48           H        LYS  48  22.285   6.916   6.916
  386    HA   LYS  48           HA       LYS  48  24.691   5.957   5.957
  387   1HB   LYS  48          1HB       LYS  48  22.233   7.480   7.480
  388   2HB   LYS  48          2HB       LYS  48  23.635   7.094   7.094
  389   1HG   LYS  48          1HG       LYS  48  23.523   8.998   8.998
  390   2HG   LYS  48          2HG       LYS  48  23.677   9.433   9.433
  391   1HD   LYS  48          1HD       LYS  48  25.796   8.009   8.009
  392   2HD   LYS  48          2HD       LYS  48  25.802   9.695   9.695
  393   1HE   LYS  48          1HE       LYS  48  26.020   9.000   9.000
  394   2HE   LYS  48          2HE       LYS  48  26.042   7.300   7.300
  395   1HZ   LYS  48          3HZ       LYS  48  28.053   7.752   7.752
  396   2HZ   LYS  48          1HZ       LYS  48  28.042   9.338   9.338
  397   3HZ   LYS  48          2HZ       LYS  48  28.276   8.155   8.155
  398    H    VAL  49           H        VAL  49  21.252   4.948   4.948
  399    HA   VAL  49           HA       VAL  49  21.557   2.767   2.767
  400    HB   VAL  49           HB       VAL  49  19.671   2.512   2.512
  401   1HG1  VAL  49          1HG1      VAL  49  19.793   0.517   0.517
  402   2HG1  VAL  49          2HG1      VAL  49  19.407   1.504   1.504
  403   3HG1  VAL  49          3HG1      VAL  49  18.199   1.260   1.260
  404   1HG2  VAL  49          1HG2      VAL  49  19.075   4.785   4.785
  405   2HG2  VAL  49          2HG2      VAL  49  17.794   3.629   3.629
  406   3HG2  VAL  49          3HG2      VAL  49  18.951   4.107   4.107
  407    H    LYS  50           H        LYS  50  22.258   3.010   3.010
  408    HA   LYS  50           HA       LYS  50  22.687   0.136   0.136
  409   1HB   LYS  50          1HB       LYS  50  23.764   2.372   2.372
  410   2HB   LYS  50          2HB       LYS  50  23.884   0.661   0.661
  411   1HG   LYS  50          1HG       LYS  50  21.420   0.423   0.423
  412   2HG   LYS  50          2HG       LYS  50  21.200   2.081   2.081
  413   1HD   LYS  50          1HD       LYS  50  22.557   2.863   2.863
  414   2HD   LYS  50          2HD       LYS  50  22.567   1.187   1.187
  415   1HE   LYS  50          1HE       LYS  50  20.015   1.211   1.211
  416   2HE   LYS  50          2HE       LYS  50  20.038   2.891   2.891
  417   1HZ   LYS  50          2HZ       LYS  50  21.253   3.499   3.499
  418   2HZ   LYS  50          3HZ       LYS  50  21.237   1.935   1.935
  419   3HZ   LYS  50          1HZ       LYS  50  19.820   2.770   2.770
  420    H    GLU  51           H        GLU  51  24.962   2.801   2.801
  421    HA   GLU  51           HA       GLU  51  27.388   1.195   1.195
  422   1HB   GLU  51          1HB       GLU  51  26.443   3.883   3.883
  423   2HB   GLU  51          2HB       GLU  51  28.007   3.161   3.161
  424   1HG   GLU  51          1HG       GLU  51  28.691   3.296   3.296
  425   2HG   GLU  51          2HG       GLU  51  27.111   3.922   3.922
  426    H    LYS  52           H        LYS  52  24.529   1.967   1.967
  427    HA   LYS  52           HA       LYS  52  25.698   0.355   0.355
  428   1HB   LYS  52          1HB       LYS  52  25.174   2.861   2.861
  429   2HB   LYS  52          2HB       LYS  52  23.481   2.494   2.494
  430   1HG   LYS  52          1HG       LYS  52  23.575   0.897   0.897
  431   2HG   LYS  52          2HG       LYS  52  25.215   1.488   1.488
  432   1HD   LYS  52          1HD       LYS  52  24.305   3.858   3.858
  433   2HD   LYS  52          2HD       LYS  52  22.675   3.230   3.230
  434   1HE   LYS  52          1HE       LYS  52  22.867   1.834   1.834
  435   2HE   LYS  52          2HE       LYS  52  24.502   2.460   2.460
  436   1HZ   LYS  52          2HZ       LYS  52  22.029   4.122   4.122
  437   2HZ   LYS  52          3HZ       LYS  52  22.864   3.703   3.703
  438   3HZ   LYS  52          1HZ       LYS  52  23.554   4.706   4.706
  439    H    LEU  53           H        LEU  53  24.649  -1.152  -1.152
  440    HA   LEU  53           HA       LEU  53  22.242  -2.158  -2.158
  441   1HB   LEU  53          1HB       LEU  53  24.439  -4.194  -4.194
  442   2HB   LEU  53          2HB       LEU  53  22.897  -4.473  -4.473
  443    HG   LEU  53           HG       LEU  53  23.759  -2.598  -2.598
  444   1HD1  LEU  53          3HD1      LEU  53  26.412  -3.860  -3.860
  445   2HD1  LEU  53          1HD1      LEU  53  26.223  -2.864  -2.864
  446   3HD1  LEU  53          2HD1      LEU  53  25.975  -2.142  -2.142
  447   1HD2  LEU  53          3HD2      LEU  53  23.072  -4.918  -4.918
  448   2HD2  LEU  53          1HD2      LEU  53  24.540  -4.453  -4.453
  449   3HD2  LEU  53          2HD2      LEU  53  24.653  -5.552  -5.552
  450    H    LYS  54           H        LYS  54  24.152  -3.195  -3.195
  451    HA   LYS  54           HA       LYS  54  21.560  -3.279  -3.279
  452   1HB   LYS  54          1HB       LYS  54  23.897  -5.218  -5.218
  453   2HB   LYS  54          2HB       LYS  54  22.619  -4.942  -4.942
  454   1HG   LYS  54          1HG       LYS  54  22.279  -6.123  -6.123
  455   2HG   LYS  54          2HG       LYS  54  22.297  -7.025  -7.025
  456   1HD   LYS  54          1HD       LYS  54  20.100  -5.012  -5.012
  457   2HD   LYS  54          2HD       LYS  54  20.040  -6.746  -6.746
  458   1HE   LYS  54          1HE       LYS  54  18.738  -6.375  -6.375
  459   2HE   LYS  54          2HE       LYS  54  20.260  -6.955  -6.955
  460   1HZ   LYS  54          3HZ       LYS  54  19.408  -4.097  -4.097
  461   2HZ   LYS  54          1HZ       LYS  54  19.419  -5.028  -5.028
  462   3HZ   LYS  54          2HZ       LYS  54  20.843  -4.611  -4.611
  463    H    ILE  55           H        ILE  55  24.972  -3.444  -3.444
  464    HA   ILE  55           HA       ILE  55  24.887  -0.504  -0.504
  465    HB   ILE  55           HB       ILE  55  25.975  -0.745  -0.745
  466   1HG1  ILE  55          1HG1      ILE  55  26.930  -2.941  -2.941
  467   2HG1  ILE  55          2HG1      ILE  55  25.842  -2.658  -2.658
  468   1HG2  ILE  55          2HG2      ILE  55  23.592  -0.166  -0.166
  469   2HG2  ILE  55          3HG2      ILE  55  23.130  -1.878  -1.878
  470   3HG2  ILE  55          1HG2      ILE  55  23.946  -1.063  -1.063
  471   1HD1  ILE  55          3HD1      ILE  55  24.059  -4.084  -4.084
  472   2HD1  ILE  55          1HD1      ILE  55  25.321  -4.490  -4.490
  473   3HD1  ILE  55          2HD1      ILE  55  25.531  -4.955  -4.955
  474    H    ASP  56           H        ASP  56  26.360   0.230   0.230
  475    HA   ASP  56           HA       ASP  56  29.175  -0.795  -0.795
  476   1HB   ASP  56          1HB       ASP  56  28.090  -2.360  -2.360
  477   2HB   ASP  56          2HB       ASP  56  27.585  -1.023  -1.023
  478    H    SER  57           H        SER  57  27.809   1.113   1.113
  479    HA   SER  57           HA       SER  57  27.891   3.364   3.364
  480   1HB   SER  57          1HB       SER  57  28.927   4.144   4.144
  481   2HB   SER  57          2HB       SER  57  28.440   5.234   5.234
  482    HG   SER  57           HG       SER  57  26.793   4.856   4.856

  Start of MODEL    6
    1   1H    THR   1          2H        THR   1 -33.156   2.460   2.460
    2   2H    THR   1          3H        THR   1 -31.874   1.660   1.660
    3   3H    THR   1          1H        THR   1 -31.650   2.620   2.620
    4    HA   THR   1           HA       THR   1 -32.989   1.193   1.193
    5    HB   THR   1           HB       THR   1 -30.604   0.927   0.927
    6    HG1  THR   1           HG1      THR   1 -31.914  -0.507  -0.507
    7   1HG2  THR   1          2HG2      THR   1 -30.111   0.393   0.393
    8   2HG2  THR   1          3HG2      THR   1 -30.780  -1.238  -1.238
    9   3HG2  THR   1          1HG2      THR   1 -29.338  -0.716  -0.716
   10    HA   PRO   2           HA       PRO   2 -35.507  -1.244  -1.244
   11   1HB   PRO   2          1HB       PRO   2 -38.013  -0.046  -0.046
   12   2HB   PRO   2          2HB       PRO   2 -36.714   0.757   0.757
   13   1HG   PRO   2          1HG       PRO   2 -37.589   1.299   1.299
   14   2HG   PRO   2          2HG       PRO   2 -37.254   2.470   2.470
   15   1HD   PRO   2          1HD       PRO   2 -35.379   1.807   1.807
   16   2HD   PRO   2          2HD       PRO   2 -34.884   2.266   2.266
   17    H    ASP   3           H        ASP   3 -36.451  -3.125  -3.125
   18    HA   ASP   3           HA       ASP   3 -37.132  -5.012  -5.012
   19   1HB   ASP   3          1HB       ASP   3 -39.143  -3.710  -3.710
   20   2HB   ASP   3          2HB       ASP   3 -39.327  -3.088  -3.088
   21    H    VAL   4           H        VAL   4 -38.247  -3.212  -3.212
   22    HA   VAL   4           HA       VAL   4 -35.903  -4.264  -4.264
   23    HB   VAL   4           HB       VAL   4 -37.601  -6.085  -6.085
   24   1HG1  VAL   4          3HG1      VAL   4 -39.758  -4.798  -4.798
   25   2HG1  VAL   4          1HG1      VAL   4 -39.378  -4.592  -4.592
   26   3HG1  VAL   4          2HG1      VAL   4 -39.606  -6.217  -6.217
   27   1HG2  VAL   4          2HG2      VAL   4 -35.807  -6.086  -6.086
   28   2HG2  VAL   4          3HG2      VAL   4 -37.266  -6.888  -6.888
   29   3HG2  VAL   4          1HG2      VAL   4 -36.848  -5.245  -5.245
   30    H    SER   5           H        SER   5 -38.015  -3.506  -3.506
   31    HA   SER   5           HA       SER   5 -37.774  -1.922  -1.922
   32   1HB   SER   5          1HB       SER   5 -37.675   0.216   0.216
   33   2HB   SER   5          2HB       SER   5 -37.851   0.523   0.523
   34    HG   SER   5           HG       SER   5 -39.830   0.438   0.438
   35    H    SER   6           H        SER   6 -35.672  -3.353  -3.353
   36    HA   SER   6           HA       SER   6 -33.397  -3.627  -3.627
   37   1HB   SER   6          1HB       SER   6 -33.275  -0.707  -0.707
   38   2HB   SER   6          2HB       SER   6 -32.029  -1.933  -1.933
   39    HG   SER   6           HG       SER   6 -34.687  -2.084  -2.084
   40    H    ALA   7           H        ALA   7 -33.782  -3.799  -3.799
   41    HA   ALA   7           HA       ALA   7 -32.285  -1.832  -1.832
   42   1HB   ALA   7          2HB       ALA   7 -34.243  -2.936  -2.936
   43   2HB   ALA   7          3HB       ALA   7 -33.495  -4.546  -4.546
   44   3HB   ALA   7          1HB       ALA   7 -32.798  -3.349  -3.349
   45    H    LEU   8           H        LEU   8 -31.515  -5.168  -5.168
   46    HA   LEU   8           HA       LEU   8 -28.869  -5.308  -5.308
   47   1HB   LEU   8          1HB       LEU   8 -30.406  -6.840  -6.840
   48   2HB   LEU   8          2HB       LEU   8 -28.705  -7.019  -7.019
   49    HG   LEU   8           HG       LEU   8 -29.793  -8.831  -8.831
   50   1HD1  LEU   8          2HD1      LEU   8 -27.486  -8.211  -8.211
   51   2HD1  LEU   8          3HD1      LEU   8 -28.162  -7.208  -7.208
   52   3HD1  LEU   8          1HD1      LEU   8 -28.426  -8.967  -8.967
   53   1HD2  LEU   8          1HD2      LEU   8 -31.827  -7.680  -7.680
   54   2HD2  LEU   8          2HD2      LEU   8 -31.006  -8.657  -8.657
   55   3HD2  LEU   8          3HD2      LEU   8 -30.833  -6.886  -6.886
   56    H    ASP   9           H        ASP   9 -29.975  -3.877  -3.877
   57    HA   ASP   9           HA       ASP   9 -27.318  -3.217  -3.217
   58   1HB   ASP   9          1HB       ASP   9 -29.598  -3.161  -3.161
   59   2HB   ASP   9          2HB       ASP   9 -29.944  -1.667  -1.667
   60    H    LYS  10           H        LYS  10 -29.565  -1.375  -1.375
   61    HA   LYS  10           HA       LYS  10 -27.772   0.914   0.914
   62   1HB   LYS  10          1HB       LYS  10 -30.160  -0.156  -0.156
   63   2HB   LYS  10          2HB       LYS  10 -29.307   1.324   1.324
   64   1HG   LYS  10          1HG       LYS  10 -29.928   2.380   2.380
   65   2HG   LYS  10          2HG       LYS  10 -30.664   0.891   0.891
   66   1HD   LYS  10          1HD       LYS  10 -32.498   2.231   2.231
   67   2HD   LYS  10          2HD       LYS  10 -32.341   0.982   0.982
   68   1HE   LYS  10          1HE       LYS  10 -32.833   3.030   3.030
   69   2HE   LYS  10          2HE       LYS  10 -31.154   2.662   2.662
   70   1HZ   LYS  10          2HZ       LYS  10 -32.074   4.634   4.634
   71   2HZ   LYS  10          3HZ       LYS  10 -31.451   4.993   4.993
   72   3HZ   LYS  10          1HZ       LYS  10 -30.491   4.298   4.298
   73    H    LEU  11           H        LEU  11 -27.937  -2.259  -2.259
   74    HA   LEU  11           HA       LEU  11 -26.163  -1.479  -1.479
   75   1HB   LEU  11          1HB       LEU  11 -27.094  -4.209  -4.209
   76   2HB   LEU  11          2HB       LEU  11 -25.980  -4.092  -4.092
   77    HG   LEU  11           HG       LEU  11 -28.730  -2.726  -2.726
   78   1HD1  LEU  11          2HD1      LEU  11 -29.106  -5.149  -5.149
   79   2HD1  LEU  11          3HD1      LEU  11 -28.014  -5.567  -5.567
   80   3HD1  LEU  11          1HD1      LEU  11 -29.545  -4.709  -4.709
   81   1HD2  LEU  11          2HD2      LEU  11 -26.754  -3.547  -3.547
   82   2HD2  LEU  11          3HD2      LEU  11 -27.071  -1.884  -1.884
   83   3HD2  LEU  11          1HD2      LEU  11 -28.356  -2.808  -2.808
   84    H    LYS  12           H        LYS  12 -25.551  -3.136  -3.136
   85    HA   LYS  12           HA       LYS  12 -22.619  -3.303  -3.303
   86   1HB   LYS  12          1HB       LYS  12 -22.294  -4.075  -4.075
   87   2HB   LYS  12          2HB       LYS  12 -23.597  -4.945  -4.945
   88   1HG   LYS  12          1HG       LYS  12 -25.262  -3.450  -3.450
   89   2HG   LYS  12          2HG       LYS  12 -23.921  -2.756  -2.756
   90   1HD   LYS  12          1HD       LYS  12 -24.555  -5.774  -5.774
   91   2HD   LYS  12          2HD       LYS  12 -25.226  -4.677  -4.677
   92   1HE   LYS  12          1HE       LYS  12 -22.888  -4.119  -4.119
   93   2HE   LYS  12          2HE       LYS  12 -22.201  -5.235  -5.235
   94   1HZ   LYS  12          3HZ       LYS  12 -24.079  -6.007  -6.007
   95   2HZ   LYS  12          1HZ       LYS  12 -22.452  -6.291  -6.291
   96   3HZ   LYS  12          2HZ       LYS  12 -23.440  -7.047  -7.047
   97    H    GLU  13           H        GLU  13 -24.656  -0.784  -0.784
   98    HA   GLU  13           HA       GLU  13 -22.338   0.857   0.857
   99   1HB   GLU  13          1HB       GLU  13 -24.592   1.037   1.037
  100   2HB   GLU  13          2HB       GLU  13 -25.301   1.615   1.615
  101   1HG   GLU  13          1HG       GLU  13 -24.968   3.492   3.492
  102   2HG   GLU  13          2HG       GLU  13 -23.923   3.714   3.714
  103    H    PHE  14           H        PHE  14 -24.630   1.101   1.101
  104    HA   PHE  14           HA       PHE  14 -22.593   2.773   2.773
  105   1HB   PHE  14          1HB       PHE  14 -25.051   3.378   3.378
  106   2HB   PHE  14          2HB       PHE  14 -25.356   1.877   1.877
  107    HD1  PHE  14           HD2      PHE  14 -23.264   5.044   5.044
  108    HD2  PHE  14           HD1      PHE  14 -24.977   1.818   1.818
  109    HE1  PHE  14           HE2      PHE  14 -22.541   6.122   6.122
  110    HE2  PHE  14           HE1      PHE  14 -24.250   2.917   2.917
  111    HZ   PHE  14           HZ       PHE  14 -23.028   5.062   5.062
  112    H    GLY  15           H        GLY  15 -21.085   1.122   1.122
  113   1HA   GLY  15          1HA       GLY  15 -20.509  -0.539  -0.539
  114   2HA   GLY  15          2HA       GLY  15 -21.370  -1.616  -1.616
  115    H    ASN  16           H        ASN  16 -20.263  -0.759  -0.759
  116    HA   ASN  16           HA       ASN  16 -17.303  -0.744  -0.744
  117   1HB   ASN  16          1HB       ASN  16 -18.862  -1.051  -1.051
  118   2HB   ASN  16          2HB       ASN  16 -19.213   0.652   0.652
  119   1HD2  ASN  16          1HD2      ASN  16 -16.182   1.431   1.431
  120   2HD2  ASN  16          2HD2      ASN  16 -17.799   1.976   1.976
  121    H    THR  17           H        THR  17 -19.748   1.817   1.817
  122    HA   THR  17           HA       THR  17 -17.740   3.880   3.880
  123    HB   THR  17           HB       THR  17 -20.705   3.661   3.661
  124    HG1  THR  17           HG1      THR  17 -20.363   3.827   3.827
  125   1HG2  THR  17          3HG2      THR  17 -18.816   6.103   6.103
  126   2HG2  THR  17          1HG2      THR  17 -20.573   6.138   6.138
  127   3HG2  THR  17          2HG2      THR  17 -19.506   5.274   5.274
  128    H    LEU  18           H        LEU  18 -17.307   4.265   4.265
  129    HA   LEU  18           HA       LEU  18 -16.198   3.582   3.582
  130   1HB   LEU  18          1HB       LEU  18 -18.077   1.335   1.335
  131   2HB   LEU  18          2HB       LEU  18 -17.282   2.497   2.497
  132    HG   LEU  18           HG       LEU  18 -19.642   3.088   3.088
  133   1HD1  LEU  18          3HD2      LEU  18 -20.309   1.520   1.520
  134   2HD1  LEU  18          1HD2      LEU  18 -19.661   2.620   2.620
  135   3HD1  LEU  18          2HD2      LEU  18 -21.066   3.102   3.102
  136   1HD2  LEU  18          2HD1      LEU  18 -18.322   5.189   5.189
  137   2HD2  LEU  18          3HD1      LEU  18 -19.911   5.248   5.248
  138   3HD2  LEU  18          1HD1      LEU  18 -18.458   4.877   4.877
  139    H    GLU  19           H        GLU  19 -16.537   1.219   1.219
  140    HA   GLU  19           HA       GLU  19 -14.162  -0.355  -0.355
  141   1HB   GLU  19          1HB       GLU  19 -16.176  -1.700  -1.700
  142   2HB   GLU  19          2HB       GLU  19 -15.807  -1.198  -1.198
  143   1HG   GLU  19          1HG       GLU  19 -14.958  -3.421  -3.421
  144   2HG   GLU  19          2HG       GLU  19 -13.565  -2.369  -2.369
  145    H    ASP  20           H        ASP  20 -14.896   0.457   0.457
  146    HA   ASP  20           HA       ASP  20 -12.069   1.013   1.013
  147   1HB   ASP  20          1HB       ASP  20 -13.844   0.136   0.136
  148   2HB   ASP  20          2HB       ASP  20 -14.574   1.727   1.727
  149    H    LYS  21           H        LYS  21 -14.832   3.172   3.172
  150    HA   LYS  21           HA       LYS  21 -13.393   5.690   5.690
  151   1HB   LYS  21          1HB       LYS  21 -15.905   5.487   5.487
  152   2HB   LYS  21          2HB       LYS  21 -15.746   5.137   5.137
  153   1HG   LYS  21          1HG       LYS  21 -16.436   7.422   7.422
  154   2HG   LYS  21          2HG       LYS  21 -14.827   7.416   7.416
  155   1HD   LYS  21          1HD       LYS  21 -13.833   7.939   7.939
  156   2HD   LYS  21          2HD       LYS  21 -15.456   7.925   7.925
  157   1HE   LYS  21          1HE       LYS  21 -16.118   9.859   9.859
  158   2HE   LYS  21          2HE       LYS  21 -14.497   9.853   9.853
  159   1HZ   LYS  21          2HZ       LYS  21 -13.589  10.353  10.353
  160   2HZ   LYS  21          3HZ       LYS  21 -15.100  10.358  10.358
  161   3HZ   LYS  21          1HZ       LYS  21 -14.686  11.500  11.500
  162    H    ALA  22           H        ALA  22 -13.484   3.545   3.545
  163    HA   ALA  22           HA       ALA  22 -11.744   5.375   5.375
  164   1HB   ALA  22          1HB       ALA  22 -13.222   3.763   3.763
  165   2HB   ALA  22          2HB       ALA  22 -12.317   2.394   2.394
  166   3HB   ALA  22          3HB       ALA  22 -11.515   3.513   3.513
  167    H    ARG  23           H        ARG  23 -11.145   2.534   2.534
  168    HA   ARG  23           HA       ARG  23  -8.154   2.763   2.763
  169   1HB   ARG  23          1HB       ARG  23  -9.410   0.553   0.553
  170   2HB   ARG  23          2HB       ARG  23  -9.803   0.943   0.943
  171   1HG   ARG  23          1HG       ARG  23  -7.270   1.059   1.059
  172   2HG   ARG  23          2HG       ARG  23  -6.965   0.569   0.569
  173   1HD   ARG  23          1HD       ARG  23  -8.491  -1.080  -1.080
  174   2HD   ARG  23          2HD       ARG  23  -6.827  -1.311  -1.311
  175    HE   ARG  23           HE       ARG  23  -7.485  -2.198  -2.198
  176   1HH1  ARG  23          1HH1      ARG  23 -10.298  -1.600  -1.600
  177   2HH1  ARG  23          2HH1      ARG  23 -11.324  -2.706  -2.706
  178   1HH2  ARG  23          1HH2      ARG  23  -8.741  -3.445  -3.445
  179   2HH2  ARG  23          2HH2      ARG  23 -10.501  -3.678  -3.678
  180    H    GLU  24           H        GLU  24  -8.402   5.019   5.019
  181    HA   GLU  24           HA       GLU  24  -7.685   5.909   5.909
  182   1HB   GLU  24          1HB       GLU  24  -9.961   5.126   5.126
  183   2HB   GLU  24          2HB       GLU  24 -10.741   6.090   6.090
  184   1HG   GLU  24          1HG       GLU  24 -10.949   7.198   7.198
  185   2HG   GLU  24          2HG       GLU  24  -9.936   8.199   8.199
  186    H    LEU  25           H        LEU  25  -9.951   6.809   6.809
  187    HA   LEU  25           HA       LEU  25  -8.830   9.554   9.554
  188   1HB   LEU  25          2HB       LEU  25 -11.209   9.004   9.004
  189   2HB   LEU  25          1HB       LEU  25 -10.682   7.921   7.921
  190    HG   LEU  25           HG       LEU  25  -9.693   9.880   9.880
  191   1HD1  LEU  25          2HD1      LEU  25 -10.971  11.633  11.633
  192   2HD1  LEU  25          3HD1      LEU  25 -10.311  12.231  12.231
  193   3HD1  LEU  25          1HD1      LEU  25  -9.231  11.489  11.489
  194   1HD2  LEU  25          3HD2      LEU  25 -11.999   9.063   9.063
  195   2HD2  LEU  25          1HD2      LEU  25 -11.882  10.816  10.816
  196   3HD2  LEU  25          2HD2      LEU  25 -12.684  10.173  10.173
  197    H    ILE  26           H        ILE  26  -8.440   6.471   6.471
  198    HA   ILE  26           HA       ILE  26  -6.393   7.565   7.565
  199    HB   ILE  26           HB       ILE  26  -7.229   4.692   4.692
  200   1HG1  ILE  26          1HG1      ILE  26  -7.717   6.487   6.487
  201   2HG1  ILE  26          2HG1      ILE  26  -8.876   6.362   6.362
  202   1HG2  ILE  26          3HG2      ILE  26  -5.262   5.714   5.714
  203   2HG2  ILE  26          1HG2      ILE  26  -5.928   4.063   4.063
  204   3HG2  ILE  26          2HG2      ILE  26  -4.861   4.644   4.644
  205   1HD1  ILE  26          2HD1      ILE  26  -9.095   3.890   3.890
  206   2HD1  ILE  26          3HD1      ILE  26  -8.022   4.023   4.023
  207   3HD1  ILE  26          1HD1      ILE  26  -9.584   4.879   4.879
  208    H    SER  27           H        SER  27  -6.225   5.649   5.649
  209    HA   SER  27           HA       SER  27  -3.322   5.397   5.397
  210   1HB   SER  27          1HB       SER  27  -5.386   5.556   5.556
  211   2HB   SER  27          2HB       SER  27  -3.704   5.049   5.049
  212    HG   SER  27           HG       SER  27  -5.636   3.834   3.834
  213    H    ARG  28           H        ARG  28  -5.377   8.122   8.122
  214    HA   ARG  28           HA       ARG  28  -3.198   9.763   9.763
  215   1HB   ARG  28          1HB       ARG  28  -5.636   9.985   9.985
  216   2HB   ARG  28          2HB       ARG  28  -6.011  10.551  10.551
  217   1HG   ARG  28          1HG       ARG  28  -4.389  12.551  12.551
  218   2HG   ARG  28          2HG       ARG  28  -4.203  11.936  11.936
  219   1HD   ARG  28          1HD       ARG  28  -5.828  13.693  13.693
  220   2HD   ARG  28          2HD       ARG  28  -6.730  12.194  12.194
  221    HE   ARG  28           HE       ARG  28  -6.845  12.784  12.784
  222   1HH1  ARG  28          1HH1      ARG  28  -8.013  14.256  14.256
  223   2HH1  ARG  28          2HH1      ARG  28  -9.390  15.059  15.059
  224   1HH2  ARG  28          1HH2      ARG  28  -8.445  13.744  13.744
  225   2HH2  ARG  28          2HH2      ARG  28  -9.615  14.787  14.787
  226    H    ILE  29           H        ILE  29  -4.829   9.590   9.590
  227    HA   ILE  29           HA       ILE  29  -3.342  11.868  11.868
  228    HB   ILE  29           HB       ILE  29  -5.318   9.855   9.855
  229   1HG1  ILE  29          1HG1      ILE  29  -6.250  11.630  11.630
  230   2HG1  ILE  29          2HG1      ILE  29  -6.864  11.690  11.690
  231   1HG2  ILE  29          3HG2      ILE  29  -4.026  12.041  12.041
  232   2HG2  ILE  29          1HG2      ILE  29  -5.498  11.129  11.129
  233   3HG2  ILE  29          2HG2      ILE  29  -3.960  10.286  10.286
  234   1HD1  ILE  29          2HD1      ILE  29  -5.380  13.682  13.682
  235   2HD1  ILE  29          3HD1      ILE  29  -4.743  13.611  13.611
  236   3HD1  ILE  29          1HD1      ILE  29  -6.462  13.969  13.969
  237    H    LYS  30           H        LYS  30  -3.356   8.724   8.724
  238    HA   LYS  30           HA       LYS  30  -1.668   7.520   7.520
  239   1HB   LYS  30          1HB       LYS  30   0.222   8.247   8.247
  240   2HB   LYS  30          2HB       LYS  30   0.485   6.999   6.999
  241   1HG   LYS  30          1HG       LYS  30  -1.683   7.018   7.018
  242   2HG   LYS  30          2HG       LYS  30  -0.198   6.108   6.108
  243   1HD   LYS  30          1HD       LYS  30  -2.449   5.619   5.619
  244   2HD   LYS  30          2HD       LYS  30  -2.287   4.795   4.795
  245   1HE   LYS  30          1HE       LYS  30  -1.388   3.248   3.248
  246   2HE   LYS  30          2HE       LYS  30   0.036   3.928   3.928
  247   1HZ   LYS  30          2HZ       LYS  30  -1.019   4.708   4.708
  248   2HZ   LYS  30          3HZ       LYS  30   0.307   3.766   3.766
  249   3HZ   LYS  30          1HZ       LYS  30   0.323   5.363   5.363
  250    H    GLN  31           H        GLN  31  -2.008   9.384   9.384
  251    HA   GLN  31           HA       GLN  31  -1.391  11.014  11.014
  252   1HB   GLN  31          1HB       GLN  31   0.439   9.316   9.316
  253   2HB   GLN  31          2HB       GLN  31   1.537  10.325  10.325
  254   1HG   GLN  31          1HG       GLN  31   0.712  12.297  12.297
  255   2HG   GLN  31          2HG       GLN  31  -0.064  11.081  11.081
  256   1HE2  GLN  31          2HE2      GLN  31   4.016  11.494  11.494
  257   2HE2  GLN  31          1HE2      GLN  31   3.031  12.411  12.411
  258    H    SER  32           H        SER  32  -2.166  12.048  12.048
  259    HA   SER  32           HA       SER  32  -2.501  14.343  14.343
  260   1HB   SER  32          1HB       SER  32  -0.904  15.322  15.322
  261   2HB   SER  32          2HB       SER  32   0.430  15.043  15.043
  262    HG   SER  32           HG       SER  32  -1.929  16.534  16.534
  263    H    GLU  33           H        GLU  33  -2.560  14.866  14.866
  264    HA   GLU  33           HA       GLU  33  -0.978  13.255  13.255
  265   1HB   GLU  33          1HB       GLU  33  -2.323  14.196  14.196
  266   2HB   GLU  33          2HB       GLU  33  -3.321  13.615  13.615
  267   1HG   GLU  33          1HG       GLU  33  -3.565  16.065  16.065
  268   2HG   GLU  33          2HG       GLU  33  -2.683  16.576  16.576
  269    H    LEU  34           H        LEU  34   0.557  15.014  15.014
  270    HA   LEU  34           HA       LEU  34   2.204  16.422  16.422
  271   1HB   LEU  34          1HB       LEU  34   1.610  17.854  17.854
  272   2HB   LEU  34          2HB       LEU  34   2.442  16.729  16.729
  273    HG   LEU  34           HG       LEU  34   3.673  18.807  18.807
  274   1HD1  LEU  34          2HD1      LEU  34   4.979  16.749  16.749
  275   2HD1  LEU  34          3HD1      LEU  34   5.305  16.448  16.448
  276   3HD1  LEU  34          1HD1      LEU  34   5.915  17.922  17.922
  277   1HD2  LEU  34          3HD2      LEU  34   2.960  19.236  19.236
  278   2HD2  LEU  34          1HD2      LEU  34   4.720  19.357  19.357
  279   3HD2  LEU  34          2HD2      LEU  34   4.015  17.917  17.917
  280    H    SER  35           H        SER  35   2.145  14.221  14.221
  281    HA   SER  35           HA       SER  35   4.157  12.312  12.312
  282   1HB   SER  35          1HB       SER  35   3.426  12.611  12.611
  283   2HB   SER  35          2HB       SER  35   1.983  11.705  11.705
  284    HG   SER  35           HG       SER  35   3.388  10.067  10.067
  285    H    ALA  36           H        ALA  36   2.305  10.118  10.118
  286    HA   ALA  36           HA       ALA  36   1.768   8.401   8.401
  287   1HB   ALA  36          2HB       ALA  36  -0.408   9.430   9.430
  288   2HB   ALA  36          3HB       ALA  36   0.258  10.530  10.530
  289   3HB   ALA  36          1HB       ALA  36   0.237   8.772   8.772
  290    H    LYS  37           H        LYS  37   2.948  11.299  11.299
  291    HA   LYS  37           HA       LYS  37   4.507   9.794   9.794
  292   1HB   LYS  37          1HB       LYS  37   5.279  11.916  11.916
  293   2HB   LYS  37          2HB       LYS  37   3.536  11.810  11.810
  294   1HG   LYS  37          1HG       LYS  37   3.600  13.248  13.248
  295   2HG   LYS  37          2HG       LYS  37   5.333  13.418  13.418
  296   1HD   LYS  37          1HD       LYS  37   4.418  15.405  15.405
  297   2HD   LYS  37          2HD       LYS  37   4.860  14.484  14.484
  298   1HE   LYS  37          1HE       LYS  37   2.414  13.772  13.772
  299   2HE   LYS  37          2HE       LYS  37   1.999  14.668  14.668
  300   1HZ   LYS  37          1HZ       LYS  37   2.745  16.711  16.711
  301   2HZ   LYS  37          2HZ       LYS  37   3.134  15.874  15.874
  302   3HZ   LYS  37          3HZ       LYS  37   1.560  15.968  15.968
  303    H    MET  38           H        MET  38   5.227  11.608  11.608
  304    HA   MET  38           HA       MET  38   8.090  10.923  10.923
  305   1HB   MET  38          1HB       MET  38   6.171  11.435  11.435
  306   2HB   MET  38          2HB       MET  38   7.905  11.290  11.290
  307   1HG   MET  38          1HG       MET  38   6.422  13.523  13.523
  308   2HG   MET  38          2HG       MET  38   7.243  13.662  13.662
  309   1HE   MET  38          3HE       MET  38   9.866  13.655  13.655
  310   2HE   MET  38          2HE       MET  38  10.142  12.059  12.059
  311   3HE   MET  38          1HE       MET  38  11.069  13.482  13.482
  312    H    ARG  39           H        ARG  39   5.187   9.105   9.105
  313    HA   ARG  39           HA       ARG  39   6.867   6.951   6.951
  314   1HB   ARG  39          1HB       ARG  39   3.842   7.134   7.134
  315   2HB   ARG  39          2HB       ARG  39   4.603   5.669   5.669
  316   1HG   ARG  39          1HG       ARG  39   5.561   6.814   6.814
  317   2HG   ARG  39          2HG       ARG  39   4.952   8.376   8.376
  318   1HD   ARG  39          1HD       ARG  39   2.589   7.605   7.605
  319   2HD   ARG  39          2HD       ARG  39   3.132   5.970   5.970
  320    HE   ARG  39           HE       ARG  39   4.377   7.906   7.906
  321   1HH1  ARG  39          1HH1      ARG  39   1.218   6.397   6.397
  322   2HH1  ARG  39          2HH1      ARG  39   0.788   6.544   6.544
  323   1HH2  ARG  39          1HH2      ARG  39   3.785   8.020   8.020
  324   2HH2  ARG  39          2HH2      ARG  39   2.146   7.402   7.402
  325    H    GLU  40           H        GLU  40   5.209   7.200   7.200
  326    HA   GLU  40           HA       GLU  40   6.100   4.592   4.592
  327   1HB   GLU  40          1HB       GLU  40   5.357   7.190   7.190
  328   2HB   GLU  40          2HB       GLU  40   5.840   5.755   5.755
  329   1HG   GLU  40          1HG       GLU  40   3.953   4.430   4.430
  330   2HG   GLU  40          2HG       GLU  40   3.466   5.720   5.720
  331    H    TRP  41           H        TRP  41   7.672   7.806   7.806
  332    HA   TRP  41           HA       TRP  41  10.125   6.975   6.975
  333   1HB   TRP  41          1HB       TRP  41   9.345   9.338   9.338
  334   2HB   TRP  41          2HB       TRP  41   9.600   9.373   9.373
  335    HD1  TRP  41           HD1      TRP  41  11.473   9.675   9.675
  336    HE1  TRP  41           HE1      TRP  41  13.994  10.380  10.380
  337    HE3  TRP  41           HE3      TRP  41  11.581   8.965   8.965
  338    HZ2  TRP  41           HZ2      TRP  41  15.689  10.538  10.538
  339    HZ3  TRP  41           HZ3      TRP  41  13.713   9.385   9.385
  340    HH2  TRP  41           HH2      TRP  41  15.721  10.147  10.147
  341    H    PHE  42           H        PHE  42   9.300   6.955   6.955
  342    HA   PHE  42           HA       PHE  42  12.071   6.345   6.345
  343   1HB   PHE  42          1HB       PHE  42   9.386   5.941   5.941
  344   2HB   PHE  42          2HB       PHE  42  10.915   5.521   5.521
  345    HD1  PHE  42           HD2      PHE  42  12.820   7.573   7.573
  346    HD2  PHE  42           HD1      PHE  42   8.551   7.990   7.990
  347    HE1  PHE  42           HE2      PHE  42  13.112   9.805   9.805
  348    HE2  PHE  42           HE1      PHE  42   8.868  10.219  10.219
  349    HZ   PHE  42           HZ       PHE  42  11.143  11.138  11.138
  350    H    SER  43           H        SER  43   9.360   4.387   4.387
  351    HA   SER  43           HA       SER  43  10.593   1.732   1.732
  352   1HB   SER  43          1HB       SER  43   8.732   0.682   0.682
  353   2HB   SER  43          2HB       SER  43   8.160   1.841   1.841
  354    HG   SER  43           HG       SER  43   7.096   2.027   2.027
  355    H    GLU  44           H        GLU  44  10.228   3.616   3.616
  356    HA   GLU  44           HA       GLU  44  11.740   1.704   1.704
  357   1HB   GLU  44          1HB       GLU  44  10.059   3.361   3.361
  358   2HB   GLU  44          2HB       GLU  44  11.164   4.674   4.674
  359   1HG   GLU  44          1HG       GLU  44  11.255   4.162   4.162
  360   2HG   GLU  44          2HG       GLU  44  12.812   3.775   3.775
  361    H    THR  45           H        THR  45  12.834   4.609   4.609
  362    HA   THR  45           HA       THR  45  15.642   4.494   4.494
  363    HB   THR  45           HB       THR  45  14.476   5.803   5.803
  364    HG1  THR  45           HG1      THR  45  14.585   7.637   7.637
  365   1HG2  THR  45          2HG2      THR  45  17.176   6.349   6.349
  366   2HG2  THR  45          3HG2      THR  45  16.472   7.324   7.324
  367   3HG2  THR  45          1HG2      THR  45  16.977   5.651   5.651
  368    H    PHE  46           H        PHE  46  13.987   3.071   3.071
  369    HA   PHE  46           HA       PHE  46  16.278   1.668   1.668
  370   1HB   PHE  46          1HB       PHE  46  14.111   2.056   2.056
  371   2HB   PHE  46          2HB       PHE  46  13.263   1.045   1.045
  372    HD1  PHE  46           HD2      PHE  46  16.125   0.889   0.889
  373    HD2  PHE  46           HD1      PHE  46  12.882  -1.232  -1.232
  374    HE1  PHE  46           HE2      PHE  46  16.448  -0.997  -0.997
  375    HE2  PHE  46           HE1      PHE  46  13.213  -3.100  -3.100
  376    HZ   PHE  46           HZ       PHE  46  14.991  -2.988  -2.988
  377    H    GLN  47           H        GLN  47  13.916   0.508   0.508
  378    HA   GLN  47           HA       GLN  47  15.252  -2.045  -2.045
  379   1HB   GLN  47          1HB       GLN  47  13.432  -0.280  -0.280
  380   2HB   GLN  47          2HB       GLN  47  14.000  -1.868  -1.868
  381   1HG   GLN  47          1HG       GLN  47  12.832  -2.972  -2.972
  382   2HG   GLN  47          2HG       GLN  47  12.303  -1.433  -1.433
  383   1HE2  GLN  47          2HE2      GLN  47   9.580  -1.135  -1.135
  384   2HE2  GLN  47          1HE2      GLN  47  10.590  -0.317  -0.317
  385    H    LYS  48           H        LYS  48  15.880   1.229   1.229
  386    HA   LYS  48           HA       LYS  48  17.695   0.454   0.454
  387   1HB   LYS  48          1HB       LYS  48  16.518   2.662   2.662
  388   2HB   LYS  48          2HB       LYS  48  17.559   3.086   3.086
  389   1HG   LYS  48          1HG       LYS  48  19.572   3.017   3.017
  390   2HG   LYS  48          2HG       LYS  48  18.540   2.480   2.480
  391   1HD   LYS  48          1HD       LYS  48  18.922   4.820   4.820
  392   2HD   LYS  48          2HD       LYS  48  17.228   4.631   4.631
  393   1HE   LYS  48          1HE       LYS  48  17.777   5.365   5.365
  394   2HE   LYS  48          2HE       LYS  48  19.482   5.521   5.521
  395   1HZ   LYS  48          2HZ       LYS  48  18.831   7.224   7.224
  396   2HZ   LYS  48          3HZ       LYS  48  17.240   7.071   7.071
  397   3HZ   LYS  48          1HZ       LYS  48  18.331   7.641   7.641
  398    H    VAL  49           H        VAL  49  18.428   1.285   1.285
  399    HA   VAL  49           HA       VAL  49  21.333   0.743   0.743
  400    HB   VAL  49           HB       VAL  49  19.747   0.255   0.255
  401   1HG1  VAL  49          3HG1      VAL  49  22.152  -0.400  -0.400
  402   2HG1  VAL  49          1HG1      VAL  49  22.655   1.226   1.226
  403   3HG1  VAL  49          2HG1      VAL  49  21.856   0.980   0.980
  404   1HG2  VAL  49          1HG2      VAL  49  20.751   3.051   3.051
  405   2HG2  VAL  49          2HG2      VAL  49  19.056   2.574   2.574
  406   3HG2  VAL  49          3HG2      VAL  49  20.147   2.658   2.658
  407    H    LYS  50           H        LYS  50  18.542  -1.357  -1.357
  408    HA   LYS  50           HA       LYS  50  20.165  -3.660  -3.660
  409   1HB   LYS  50          1HB       LYS  50  17.210  -3.445  -3.445
  410   2HB   LYS  50          2HB       LYS  50  17.917  -4.981  -4.981
  411   1HG   LYS  50          1HG       LYS  50  18.296  -4.329  -4.329
  412   2HG   LYS  50          2HG       LYS  50  18.072  -2.624  -2.624
  413   1HD   LYS  50          1HD       LYS  50  16.177  -3.439  -3.439
  414   2HD   LYS  50          2HD       LYS  50  15.650  -2.885  -2.885
  415   1HE   LYS  50          1HE       LYS  50  16.138  -5.882  -5.882
  416   2HE   LYS  50          2HE       LYS  50  14.615  -5.073  -5.073
  417   1HZ   LYS  50          2HZ       LYS  50  14.358  -4.542  -4.542
  418   2HZ   LYS  50          3HZ       LYS  50  15.781  -5.295  -5.295
  419   3HZ   LYS  50          1HZ       LYS  50  14.512  -6.171  -6.171
  420    H    GLU  51           H        GLU  51  18.571  -2.840  -2.840
  421    HA   GLU  51           HA       GLU  51  19.685  -4.982  -4.982
  422   1HB   GLU  51          1HB       GLU  51  18.859  -2.084  -2.084
  423   2HB   GLU  51          2HB       GLU  51  19.337  -3.250  -3.250
  424   1HG   GLU  51          1HG       GLU  51  17.431  -4.727  -4.727
  425   2HG   GLU  51          2HG       GLU  51  16.953  -3.784  -3.784
  426    H    LYS  52           H        LYS  52  21.141  -1.979  -1.979
  427    HA   LYS  52           HA       LYS  52  23.705  -2.555  -2.555
  428   1HB   LYS  52          1HB       LYS  52  22.717   0.217   0.217
  429   2HB   LYS  52          2HB       LYS  52  24.209  -0.122  -0.122
  430   1HG   LYS  52          1HG       LYS  52  21.379  -0.444  -0.444
  431   2HG   LYS  52          2HG       LYS  52  22.499   0.849   0.849
  432   1HD   LYS  52          1HD       LYS  52  22.865  -2.110  -2.110
  433   2HD   LYS  52          2HD       LYS  52  22.320  -0.843  -0.843
  434   1HE   LYS  52          1HE       LYS  52  25.136  -0.962  -0.962
  435   2HE   LYS  52          2HE       LYS  52  24.732  -1.502  -1.502
  436   1HZ   LYS  52          3HZ       LYS  52  24.087   0.777   0.777
  437   2HZ   LYS  52          1HZ       LYS  52  24.460   1.304   1.304
  438   3HZ   LYS  52          2HZ       LYS  52  25.650   0.723   0.723
  439    H    LEU  53           H        LEU  53  23.160  -3.780  -3.780
  440    HA   LEU  53           HA       LEU  53  24.468  -2.470  -2.470
  441   1HB   LEU  53          1HB       LEU  53  23.992  -4.209  -4.209
  442   2HB   LEU  53          2HB       LEU  53  22.722  -4.292  -4.292
  443    HG   LEU  53           HG       LEU  53  25.251  -5.986  -5.986
  444   1HD1  LEU  53          2HD2      LEU  53  23.775  -6.490  -6.490
  445   2HD1  LEU  53          3HD2      LEU  53  22.398  -6.802  -6.802
  446   3HD1  LEU  53          1HD2      LEU  53  23.818  -7.878  -7.878
  447   1HD2  LEU  53          2HD1      LEU  53  24.384  -5.950  -5.950
  448   2HD2  LEU  53          3HD1      LEU  53  24.149  -7.558  -7.558
  449   3HD2  LEU  53          1HD1      LEU  53  22.767  -6.445  -6.445
  450    H    LYS  54           H        LYS  54  26.362  -3.321  -3.321
  451    HA   LYS  54           HA       LYS  54  28.803  -3.430  -3.430
  452   1HB   LYS  54          1HB       LYS  54  28.602  -1.853  -1.853
  453   2HB   LYS  54          2HB       LYS  54  28.620  -3.198  -3.198
  454   1HG   LYS  54          1HG       LYS  54  30.893  -2.589  -2.589
  455   2HG   LYS  54          2HG       LYS  54  30.790  -1.858  -1.858
  456   1HD   LYS  54          1HD       LYS  54  30.882  -4.157  -4.157
  457   2HD   LYS  54          2HD       LYS  54  31.101  -4.879  -4.879
  458   1HE   LYS  54          1HE       LYS  54  33.225  -3.560  -3.560
  459   2HE   LYS  54          2HE       LYS  54  33.017  -2.796  -2.796
  460   1HZ   LYS  54          2HZ       LYS  54  33.353  -5.722  -5.722
  461   2HZ   LYS  54          3HZ       LYS  54  34.508  -4.690  -4.690
  462   3HZ   LYS  54          1HZ       LYS  54  33.159  -5.007  -5.007
  463    H    ILE  55           H        ILE  55  29.323  -5.366  -5.366
  464    HA   ILE  55           HA       ILE  55  29.495  -7.742  -7.742
  465    HB   ILE  55           HB       ILE  55  28.695  -9.250  -9.250
  466   1HG1  ILE  55          1HG1      ILE  55  26.639  -8.478  -8.478
  467   2HG1  ILE  55          2HG1      ILE  55  26.836  -6.849  -6.849
  468   1HG2  ILE  55          2HG2      ILE  55  27.751  -9.270  -9.270
  469   2HG2  ILE  55          3HG2      ILE  55  26.702  -7.886  -7.886
  470   3HG2  ILE  55          1HG2      ILE  55  26.473  -9.447  -9.447
  471   1HD1  ILE  55          3HD1      ILE  55  28.805  -8.232  -8.232
  472   2HD1  ILE  55          1HD1      ILE  55  27.549  -7.046  -7.046
  473   3HD1  ILE  55          2HD1      ILE  55  28.912  -6.542  -6.542
  474    H    ASP  56           H        ASP  56  31.594  -7.402  -7.402
  475    HA   ASP  56           HA       ASP  56  33.282  -8.402  -8.402
  476   1HB   ASP  56          1HB       ASP  56  33.175  -5.891  -5.891
  477   2HB   ASP  56          2HB       ASP  56  33.902  -5.659  -5.659
  478    H    SER  57           H        SER  57  34.676  -6.808  -6.808
  479    HA   SER  57           HA       SER  57  35.728  -7.586  -7.586
  480   1HB   SER  57          1HB       SER  57  34.135 -10.200 -10.200
  481   2HB   SER  57          2HB       SER  57  35.133  -9.672  -9.672
  482    HG   SER  57           HG       SER  57  32.957  -9.136  -9.136

  Start of MODEL    7
    1   1H    THR   1          3H        THR   1 -30.128 -19.893 -19.893
    2   2H    THR   1          1H        THR   1 -31.027 -18.952 -18.952
    3   3H    THR   1          2H        THR   1 -31.414 -20.543 -20.543
    4    HA   THR   1           HA       THR   1 -31.939 -20.231 -20.231
    5    HB   THR   1           HB       THR   1 -33.382 -18.405 -18.405
    6    HG1  THR   1           HG1      THR   1 -34.817 -20.134 -20.134
    7   1HG2  THR   1          3HG2      THR   1 -34.659 -19.146 -19.146
    8   2HG2  THR   1          1HG2      THR   1 -35.470 -18.393 -18.393
    9   3HG2  THR   1          2HG2      THR   1 -34.214 -17.504 -17.504
   10    HA   PRO   2           HA       PRO   2 -29.828 -16.382 -16.382
   11   1HB   PRO   2          1HB       PRO   2 -30.307 -16.593 -16.593
   12   2HB   PRO   2          2HB       PRO   2 -29.228 -17.732 -17.732
   13   1HG   PRO   2          1HG       PRO   2 -32.157 -18.161 -18.161
   14   2HG   PRO   2          2HG       PRO   2 -30.783 -19.260 -19.260
   15   1HD   PRO   2          1HD       PRO   2 -32.506 -19.503 -19.503
   16   2HD   PRO   2          2HD       PRO   2 -30.769 -19.947 -19.947
   17    H    ASP   3           H        ASP   3 -30.798 -14.630 -14.630
   18    HA   ASP   3           HA       ASP   3 -33.000 -13.299 -13.299
   19   1HB   ASP   3          1HB       ASP   3 -34.603 -13.043 -13.043
   20   2HB   ASP   3          2HB       ASP   3 -34.384 -14.732 -14.732
   21    H    VAL   4           H        VAL   4 -33.286 -11.198 -11.198
   22    HA   VAL   4           HA       VAL   4 -30.851  -9.790  -9.790
   23    HB   VAL   4           HB       VAL   4 -33.268  -8.396  -8.396
   24   1HG1  VAL   4          3HG1      VAL   4 -31.634  -6.845  -6.845
   25   2HG1  VAL   4          1HG1      VAL   4 -30.308  -7.570  -7.570
   26   3HG1  VAL   4          2HG1      VAL   4 -31.609  -6.668  -6.668
   27   1HG2  VAL   4          1HG2      VAL   4 -30.866  -9.559  -9.559
   28   2HG2  VAL   4          2HG2      VAL   4 -32.557 -10.099 -10.099
   29   3HG2  VAL   4          3HG2      VAL   4 -32.114  -8.476  -8.476
   30    H    SER   5           H        SER   5 -31.105  -7.947  -7.947
   31    HA   SER   5           HA       SER   5 -33.516  -7.539  -7.539
   32   1HB   SER   5          1HB       SER   5 -31.209  -8.886  -8.886
   33   2HB   SER   5          2HB       SER   5 -32.582  -8.052  -8.052
   34    HG   SER   5           HG       SER   5 -32.732 -10.273 -10.273
   35    H    SER   6           H        SER   6 -32.870  -5.707  -5.707
   36    HA   SER   6           HA       SER   6 -31.741  -3.808  -3.808
   37   1HB   SER   6          1HB       SER   6 -31.387  -3.307  -3.307
   38   2HB   SER   6          2HB       SER   6 -31.178  -2.102  -2.102
   39    HG   SER   6           HG       SER   6 -33.241  -2.062  -2.062
   40    H    ALA   7           H        ALA   7 -30.134  -5.922  -5.922
   41    HA   ALA   7           HA       ALA   7 -27.303  -5.074  -5.074
   42   1HB   ALA   7          1HB       ALA   7 -27.810  -7.495  -7.495
   43   2HB   ALA   7          2HB       ALA   7 -28.238  -7.503  -7.503
   44   3HB   ALA   7          3HB       ALA   7 -26.574  -7.136  -7.136
   45    H    LEU   8           H        LEU   8 -29.149  -5.676  -5.676
   46    HA   LEU   8           HA       LEU   8 -27.357  -4.061  -4.061
   47   1HB   LEU   8          1HB       LEU   8 -28.827  -5.887  -5.887
   48   2HB   LEU   8          2HB       LEU   8 -30.250  -4.940  -4.940
   49    HG   LEU   8           HG       LEU   8 -29.547  -3.186  -3.186
   50   1HD1  LEU   8          3HD1      LEU   8 -27.265  -5.139  -5.139
   51   2HD1  LEU   8          1HD1      LEU   8 -27.749  -3.703  -3.703
   52   3HD1  LEU   8          2HD1      LEU   8 -27.070  -3.505  -3.505
   53   1HD2  LEU   8          3HD2      LEU   8 -31.134  -5.003  -5.003
   54   2HD2  LEU   8          1HD2      LEU   8 -30.127  -4.525  -4.525
   55   3HD2  LEU   8          2HD2      LEU   8 -29.779  -6.041  -6.041
   56    H    ASP   9           H        ASP   9 -30.350  -3.238  -3.238
   57    HA   ASP   9           HA       ASP   9 -30.731  -0.545  -0.545
   58   1HB   ASP   9          1HB       ASP   9 -32.415  -1.926  -1.926
   59   2HB   ASP   9          2HB       ASP   9 -31.513  -1.539  -1.539
   60    H    LYS  10           H        LYS  10 -28.979  -1.497  -1.497
   61    HA   LYS  10           HA       LYS  10 -27.884   1.168   1.168
   62   1HB   LYS  10          1HB       LYS  10 -26.903  -1.624  -1.624
   63   2HB   LYS  10          2HB       LYS  10 -26.151  -0.137  -0.137
   64   1HG   LYS  10          1HG       LYS  10 -28.291   0.649   0.649
   65   2HG   LYS  10          2HG       LYS  10 -29.098  -0.830  -0.830
   66   1HD   LYS  10          1HD       LYS  10 -27.405  -2.190  -2.190
   67   2HD   LYS  10          2HD       LYS  10 -26.681  -0.703  -0.703
   68   1HE   LYS  10          1HE       LYS  10 -29.633  -1.538  -1.538
   69   2HE   LYS  10          2HE       LYS  10 -28.318  -1.832  -1.832
   70   1HZ   LYS  10          3HZ       LYS  10 -27.988   0.573   0.573
   71   2HZ   LYS  10          1HZ       LYS  10 -29.219   0.869   0.869
   72   3HZ   LYS  10          2HZ       LYS  10 -29.538   0.159   0.159
   73    H    LEU  11           H        LEU  11 -26.528  -1.516  -1.516
   74    HA   LEU  11           HA       LEU  11 -24.001  -0.245  -0.245
   75   1HB   LEU  11          1HB       LEU  11 -24.570  -2.656  -2.656
   76   2HB   LEU  11          2HB       LEU  11 -25.652  -2.306  -2.306
   77    HG   LEU  11           HG       LEU  11 -23.420  -3.341  -3.341
   78   1HD1  LEU  11          3HD2      LEU  11 -24.783  -2.297  -2.297
   79   2HD1  LEU  11          1HD2      LEU  11 -23.869  -0.781  -0.781
   80   3HD1  LEU  11          2HD2      LEU  11 -23.041  -2.265  -2.265
   81   1HD2  LEU  11          2HD1      LEU  11 -21.942  -2.002  -2.002
   82   2HD2  LEU  11          3HD1      LEU  11 -21.345  -2.031  -2.031
   83   3HD2  LEU  11          1HD1      LEU  11 -22.152  -0.576  -0.576
   84    H    LYS  12           H        LYS  12 -27.210   0.472   0.472
   85    HA   LYS  12           HA       LYS  12 -26.292   1.738   1.738
   86   1HB   LYS  12          1HB       LYS  12 -28.836   2.550   2.550
   87   2HB   LYS  12          2HB       LYS  12 -28.459   2.905   2.905
   88   1HG   LYS  12          1HG       LYS  12 -29.236   0.225   0.225
   89   2HG   LYS  12          2HG       LYS  12 -30.124   1.171   1.171
   90   1HD   LYS  12          1HD       LYS  12 -27.500  -0.348  -0.348
   91   2HD   LYS  12          2HD       LYS  12 -29.098  -0.884  -0.884
   92   1HE   LYS  12          1HE       LYS  12 -27.725   1.652   1.652
   93   2HE   LYS  12          2HE       LYS  12 -27.749   0.075   0.075
   94   1HZ   LYS  12          3HZ       LYS  12 -30.178   0.210   0.210
   95   2HZ   LYS  12          1HZ       LYS  12 -30.175   1.690   1.690
   96   3HZ   LYS  12          2HZ       LYS  12 -29.476   1.504   1.504
   97    H    GLU  13           H        GLU  13 -27.104   3.434   3.434
   98    HA   GLU  13           HA       GLU  13 -26.284   5.999   5.999
   99   1HB   GLU  13          1HB       GLU  13 -26.944   7.141   7.141
  100   2HB   GLU  13          2HB       GLU  13 -28.131   5.904   5.904
  101   1HG   GLU  13          1HG       GLU  13 -26.009   5.928   5.928
  102   2HG   GLU  13          2HG       GLU  13 -27.699   6.340   6.340
  103    H    PHE  14           H        PHE  14 -24.625   4.121   4.121
  104    HA   PHE  14           HA       PHE  14 -22.237   5.878   5.878
  105   1HB   PHE  14          1HB       PHE  14 -21.060   4.468   4.468
  106   2HB   PHE  14          2HB       PHE  14 -22.577   5.064   5.064
  107    HD1  PHE  14           HD2      PHE  14 -21.137   1.911   1.911
  108    HD2  PHE  14           HD1      PHE  14 -23.921   3.563   3.563
  109    HE1  PHE  14           HE2      PHE  14 -21.690  -0.352  -0.352
  110    HE2  PHE  14           HE1      PHE  14 -24.421   1.298   1.298
  111    HZ   PHE  14           HZ       PHE  14 -23.327  -0.667  -0.667
  112    H    GLY  15           H        GLY  15 -23.135   3.059   3.059
  113   1HA   GLY  15          1HA       GLY  15 -20.489   2.427   2.427
  114   2HA   GLY  15          2HA       GLY  15 -22.027   2.039   2.039
  115    H    ASN  16           H        ASN  16 -23.262   4.376   4.376
  116    HA   ASN  16           HA       ASN  16 -21.897   5.744   5.744
  117   1HB   ASN  16          1HB       ASN  16 -24.436   5.570   5.570
  118   2HB   ASN  16          2HB       ASN  16 -24.270   6.772   6.772
  119   1HD2  ASN  16          1HD2      ASN  16 -24.452   9.411   9.411
  120   2HD2  ASN  16          2HD2      ASN  16 -24.463   8.889   8.889
  121    H    THR  17           H        THR  17 -21.959   6.594   6.594
  122    HA   THR  17           HA       THR  17 -20.606   9.198   9.198
  123    HB   THR  17           HB       THR  17 -20.577   7.150   7.150
  124    HG1  THR  17           HG1      THR  17 -22.184   8.510   8.510
  125   1HG2  THR  17          2HG2      THR  17 -19.892  10.150  10.150
  126   2HG2  THR  17          3HG2      THR  17 -20.114   9.064   9.064
  127   3HG2  THR  17          1HG2      THR  17 -18.761   8.797   8.797
  128    H    LEU  18           H        LEU  18 -19.242   5.915   5.915
  129    HA   LEU  18           HA       LEU  18 -16.500   6.883   6.883
  130   1HB   LEU  18          1HB       LEU  18 -15.558   4.815   4.815
  131   2HB   LEU  18          2HB       LEU  18 -16.691   5.307   5.307
  132    HG   LEU  18           HG       LEU  18 -18.397   3.607   3.607
  133   1HD1  LEU  18          1HD2      LEU  18 -15.750   2.568   2.568
  134   2HD1  LEU  18          2HD2      LEU  18 -17.267   1.638   1.638
  135   3HD1  LEU  18          3HD2      LEU  18 -17.193   3.096   3.096
  136   1HD2  LEU  18          2HD1      LEU  18 -17.356   3.286   3.286
  137   2HD2  LEU  18          3HD1      LEU  18 -17.462   1.744   1.744
  138   3HD2  LEU  18          1HD1      LEU  18 -15.897   2.591   2.591
  139    H    GLU  19           H        GLU  19 -18.759   6.566   6.566
  140    HA   GLU  19           HA       GLU  19 -17.105   5.556   5.556
  141   1HB   GLU  19          1HB       GLU  19 -19.905   6.736   6.736
  142   2HB   GLU  19          2HB       GLU  19 -19.023   6.443   6.443
  143   1HG   GLU  19          1HG       GLU  19 -19.833   4.256   4.256
  144   2HG   GLU  19          2HG       GLU  19 -20.680   4.655   4.655
  145    H    ASP  20           H        ASP  20 -18.723   8.666   8.666
  146    HA   ASP  20           HA       ASP  20 -16.998  10.362  10.362
  147   1HB   ASP  20          1HB       ASP  20 -17.898  12.278  12.278
  148   2HB   ASP  20          2HB       ASP  20 -19.149  11.148  11.148
  149    H    LYS  21           H        LYS  21 -16.621   9.512   9.512
  150    HA   LYS  21           HA       LYS  21 -14.134  10.999  10.999
  151   1HB   LYS  21          1HB       LYS  21 -15.255   8.526   8.526
  152   2HB   LYS  21          2HB       LYS  21 -13.776   9.271   9.271
  153   1HG   LYS  21          1HG       LYS  21 -14.987  11.470  11.470
  154   2HG   LYS  21          2HG       LYS  21 -16.488  10.726  10.726
  155   1HD   LYS  21          1HD       LYS  21 -16.572  10.695  10.695
  156   2HD   LYS  21          2HD       LYS  21 -16.315   9.024   9.024
  157   1HE   LYS  21          1HE       LYS  21 -13.830   9.255   9.255
  158   2HE   LYS  21          2HE       LYS  21 -14.095  10.944  10.944
  159   1HZ   LYS  21          2HZ       LYS  21 -15.629  10.172  10.172
  160   2HZ   LYS  21          3HZ       LYS  21 -15.382   8.595   8.595
  161   3HZ   LYS  21          1HZ       LYS  21 -14.136   9.489   9.489
  162    H    ALA  22           H        ALA  22 -14.516   7.665   7.665
  163    HA   ALA  22           HA       ALA  22 -11.610   7.091   7.091
  164   1HB   ALA  22          2HB       ALA  22 -13.235   5.242   5.242
  165   2HB   ALA  22          3HB       ALA  22 -13.841   5.773   5.773
  166   3HB   ALA  22          1HB       ALA  22 -12.169   5.176   5.176
  167    H    ARG  23           H        ARG  23 -13.773   8.178   8.178
  168    HA   ARG  23           HA       ARG  23 -11.583   8.542   8.542
  169   1HB   ARG  23          1HB       ARG  23 -14.420   9.746   9.746
  170   2HB   ARG  23          2HB       ARG  23 -13.252  10.130  10.130
  171   1HG   ARG  23          1HG       ARG  23 -14.523   8.484   8.484
  172   2HG   ARG  23          2HG       ARG  23 -13.022   7.669   7.669
  173   1HD   ARG  23          1HD       ARG  23 -14.190   6.656   6.656
  174   2HD   ARG  23          2HD       ARG  23 -15.686   7.476   7.476
  175    HE   ARG  23           HE       ARG  23 -15.082   6.012   6.012
  176   1HH1  ARG  23          1HH1      ARG  23 -15.328   5.055   5.055
  177   2HH1  ARG  23          2HH1      ARG  23 -15.894   3.381   3.381
  178   1HH2  ARG  23          1HH2      ARG  23 -15.739   4.075   4.075
  179   2HH2  ARG  23          2HH2      ARG  23 -16.110   2.867   2.867
  180    H    GLU  24           H        GLU  24 -12.923  10.817  10.817
  181    HA   GLU  24           HA       GLU  24 -11.152  13.066  13.066
  182   1HB   GLU  24          1HB       GLU  24 -13.255  13.339  13.339
  183   2HB   GLU  24          2HB       GLU  24 -12.537  12.434  12.434
  184   1HG   GLU  24          1HG       GLU  24 -12.448  14.805  14.805
  185   2HG   GLU  24          2HG       GLU  24 -10.805  14.225  14.225
  186    H    LEU  25           H        LEU  25 -10.739  10.379  10.379
  187    HA   LEU  25           HA       LEU  25  -7.899  11.358  11.358
  188   1HB   LEU  25          1HB       LEU  25  -9.567   9.391   9.391
  189   2HB   LEU  25          2HB       LEU  25  -7.878   9.702   9.702
  190    HG   LEU  25           HG       LEU  25  -8.949  10.877  10.877
  191   1HD1  LEU  25          2HD1      LEU  25  -7.040  12.142  12.142
  192   2HD1  LEU  25          3HD1      LEU  25  -8.197  13.082  13.082
  193   3HD1  LEU  25          1HD1      LEU  25  -8.219  13.205  13.205
  194   1HD2  LEU  25          3HD2      LEU  25 -11.262  11.030  11.030
  195   2HD2  LEU  25          1HD2      LEU  25 -10.711  12.590  12.590
  196   3HD2  LEU  25          2HD2      LEU  25 -10.811  12.331  12.331
  197    H    ILE  26           H        ILE  26  -8.472  10.028  10.028
  198    HA   ILE  26           HA       ILE  26  -5.887   8.457   8.457
  199    HB   ILE  26           HB       ILE  26  -7.969   8.043   8.043
  200   1HG1  ILE  26          1HG1      ILE  26  -6.946   6.284   6.284
  201   2HG1  ILE  26          2HG1      ILE  26  -8.543   6.935   6.935
  202   1HG2  ILE  26          2HG2      ILE  26  -5.637   7.929   7.929
  203   2HG2  ILE  26          3HG2      ILE  26  -5.162   6.754   6.754
  204   3HG2  ILE  26          1HG2      ILE  26  -6.381   6.334   6.334
  205   1HD1  ILE  26          2HD1      ILE  26  -8.986   5.529   5.529
  206   2HD1  ILE  26          3HD1      ILE  26  -7.407   4.727   4.727
  207   3HD1  ILE  26          1HD1      ILE  26  -8.687   4.603   4.603
  208    H    SER  27           H        SER  27  -7.679  10.708  10.708
  209    HA   SER  27           HA       SER  27  -5.098  11.973  11.973
  210   1HB   SER  27          1HB       SER  27  -6.991  11.759  11.759
  211   2HB   SER  27          2HB       SER  27  -8.012  12.781  12.781
  212    HG   SER  27           HG       SER  27  -6.969  13.920  13.920
  213    H    ARG  28           H        ARG  28  -4.268  12.607  12.607
  214    HA   ARG  28           HA       ARG  28  -4.394  14.829  14.829
  215   1HB   ARG  28          1HB       ARG  28  -6.674  12.970  12.970
  216   2HB   ARG  28          2HB       ARG  28  -5.709  13.533  13.533
  217   1HG   ARG  28          1HG       ARG  28  -6.871  15.566  15.566
  218   2HG   ARG  28          2HG       ARG  28  -7.847  14.888  14.888
  219   1HD   ARG  28          1HD       ARG  28  -5.161  16.349  16.349
  220   2HD   ARG  28          2HD       ARG  28  -6.734  17.152  17.152
  221    HE   ARG  28           HE       ARG  28  -7.056  15.039  15.039
  222   1HH1  ARG  28          1HH1      ARG  28  -4.868  17.827  17.827
  223   2HH1  ARG  28          2HH1      ARG  28  -4.738  17.929  17.929
  224   1HH2  ARG  28          1HH2      ARG  28  -6.837  15.248  15.248
  225   2HH2  ARG  28          2HH2      ARG  28  -5.780  16.565  16.565
  226    H    ILE  29           H        ILE  29  -4.721  11.268  11.268
  227    HA   ILE  29           HA       ILE  29  -2.274  11.183  11.183
  228    HB   ILE  29           HB       ILE  29  -4.250   9.064   9.064
  229   1HG1  ILE  29          1HG1      ILE  29  -3.579  10.355  10.355
  230   2HG1  ILE  29          2HG1      ILE  29  -5.027  10.617  10.617
  231   1HG2  ILE  29          2HG2      ILE  29  -2.063   7.878   7.878
  232   2HG2  ILE  29          3HG2      ILE  29  -1.769   8.505   8.505
  233   3HG2  ILE  29          1HG2      ILE  29  -3.110   7.370   7.370
  234   1HD1  ILE  29          2HD1      ILE  29  -5.665   8.142   8.142
  235   2HD1  ILE  29          3HD1      ILE  29  -4.301   8.055   8.055
  236   3HD1  ILE  29          1HD1      ILE  29  -5.630   9.187   9.187
  237    H    LYS  30           H        LYS  30  -2.759   8.985   8.985
  238    HA   LYS  30           HA       LYS  30  -1.300   8.257   8.257
  239   1HB   LYS  30          1HB       LYS  30  -0.296  11.141  11.141
  240   2HB   LYS  30          2HB       LYS  30  -0.027   9.875   9.875
  241   1HG   LYS  30          1HG       LYS  30  -2.710  11.183  11.183
  242   2HG   LYS  30          2HG       LYS  30  -1.766  11.446  11.446
  243   1HD   LYS  30          1HD       LYS  30  -3.170   8.809   8.809
  244   2HD   LYS  30          2HD       LYS  30  -3.783   9.991   9.991
  245   1HE   LYS  30          1HE       LYS  30  -1.177   8.367   8.367
  246   2HE   LYS  30          2HE       LYS  30  -2.748   7.959   7.959
  247   1HZ   LYS  30          1HZ       LYS  30  -2.725  10.057  10.057
  248   2HZ   LYS  30          2HZ       LYS  30  -1.250  10.459  10.459
  249   3HZ   LYS  30          3HZ       LYS  30  -1.397   9.145   9.145
  250    H    GLN  31           H        GLN  31  -0.397   7.153   7.153
  251    HA   GLN  31           HA       GLN  31   1.269   6.433   6.433
  252   1HB   GLN  31          1HB       GLN  31   2.029   5.772   5.772
  253   2HB   GLN  31          2HB       GLN  31   3.262   7.005   7.005
  254   1HG   GLN  31          1HG       GLN  31   3.927   5.745   5.745
  255   2HG   GLN  31          2HG       GLN  31   2.809   4.480   4.480
  256   1HE2  GLN  31          2HE2      GLN  31   5.073   3.105   3.105
  257   2HE2  GLN  31          1HE2      GLN  31   3.394   3.083   3.083
  258    H    SER  32           H        SER  32   0.630   8.854   8.854
  259    HA   SER  32           HA       SER  32   3.006   9.996   9.996
  260   1HB   SER  32          1HB       SER  32   3.241  10.969  10.969
  261   2HB   SER  32          2HB       SER  32   1.681  11.763  11.763
  262    HG   SER  32           HG       SER  32   3.957  12.089  12.089
  263    H    GLU  33           H        GLU  33   2.426  11.567  11.567
  264    HA   GLU  33           HA       GLU  33   1.281  12.362  12.362
  265   1HB   GLU  33          1HB       GLU  33  -0.694  13.669  13.669
  266   2HB   GLU  33          2HB       GLU  33   0.294  14.013  14.013
  267   1HG   GLU  33          1HG       GLU  33  -1.252  12.845  12.845
  268   2HG   GLU  33          2HG       GLU  33  -2.145  12.127  12.127
  269    H    LEU  34           H        LEU  34  -0.357   9.762   9.762
  270    HA   LEU  34           HA       LEU  34  -1.209   8.737   8.737
  271   1HB   LEU  34          1HB       LEU  34  -2.608   8.008   8.008
  272   2HB   LEU  34          2HB       LEU  34  -1.258   7.412   7.412
  273    HG   LEU  34           HG       LEU  34  -2.786   5.725   5.725
  274   1HD1  LEU  34          2HD1      LEU  34  -0.516   5.066   5.066
  275   2HD1  LEU  34          3HD1      LEU  34   0.149   5.285   5.285
  276   3HD1  LEU  34          1HD1      LEU  34  -1.090   4.050   4.050
  277   1HD2  LEU  34          3HD2      LEU  34  -3.112   6.766   6.766
  278   2HD2  LEU  34          1HD2      LEU  34  -2.584   5.072   5.072
  279   3HD2  LEU  34          2HD2      LEU  34  -1.426   6.383   6.383
  280    H    SER  35           H        SER  35   1.280   8.462   8.462
  281    HA   SER  35           HA       SER  35   3.295   7.485   7.485
  282   1HB   SER  35          1HB       SER  35   3.179   5.922   5.922
  283   2HB   SER  35          2HB       SER  35   3.457   7.253   7.253
  284    HG   SER  35           HG       SER  35   5.185   6.422   6.422
  285    H    ALA  36           H        ALA  36   4.718   9.044   9.044
  286    HA   ALA  36           HA       ALA  36   6.334  10.846  10.846
  287   1HB   ALA  36          2HB       ALA  36   4.371  12.280  12.280
  288   2HB   ALA  36          3HB       ALA  36   4.139  12.428  12.428
  289   3HB   ALA  36          1HB       ALA  36   5.619  13.059  13.059
  290    H    LYS  37           H        LYS  37   4.834  10.273  10.273
  291    HA   LYS  37           HA       LYS  37   7.311  11.026  11.026
  292   1HB   LYS  37          1HB       LYS  37   4.647   9.883   9.883
  293   2HB   LYS  37          2HB       LYS  37   6.040  10.321  10.321
  294   1HG   LYS  37          1HG       LYS  37   4.750  12.175  12.175
  295   2HG   LYS  37          2HG       LYS  37   5.803  12.750  12.750
  296   1HD   LYS  37          1HD       LYS  37   3.905  12.267  12.267
  297   2HD   LYS  37          2HD       LYS  37   2.928  11.666  11.666
  298   1HE   LYS  37          1HE       LYS  37   2.164  13.891  13.891
  299   2HE   LYS  37          2HE       LYS  37   3.018  13.980  13.980
  300   1HZ   LYS  37          3HZ       LYS  37   4.140  14.776  14.776
  301   2HZ   LYS  37          1HZ       LYS  37   3.623  15.807  15.807
  302   3HZ   LYS  37          2HZ       LYS  37   4.959  14.868  14.868
  303    H    MET  38           H        MET  38   5.362   8.042   8.042
  304    HA   MET  38           HA       MET  38   7.343   6.128   6.128
  305   1HB   MET  38          1HB       MET  38   5.267   5.721   5.721
  306   2HB   MET  38          2HB       MET  38   6.228   4.458   4.458
  307   1HG   MET  38          1HG       MET  38   4.059   6.110   6.110
  308   2HG   MET  38          2HG       MET  38   3.974   4.418   4.418
  309   1HE   MET  38          1HE       MET  38   5.459   2.460   2.460
  310   2HE   MET  38          3HE       MET  38   7.050   3.270   3.270
  311   3HE   MET  38          2HE       MET  38   6.495   2.701   2.701
  312    H    ARG  39           H        ARG  39   7.045   7.696   7.696
  313    HA   ARG  39           HA       ARG  39   9.546   6.179   6.179
  314   1HB   ARG  39          1HB       ARG  39   7.462   7.812   7.812
  315   2HB   ARG  39          2HB       ARG  39   8.993   7.299   7.299
  316   1HG   ARG  39          1HG       ARG  39   8.503   4.921   4.921
  317   2HG   ARG  39          2HG       ARG  39   7.061   5.275   5.275
  318   1HD   ARG  39          1HD       ARG  39   6.018   6.380   6.380
  319   2HD   ARG  39          2HD       ARG  39   7.427   5.936   5.936
  320    HE   ARG  39           HE       ARG  39   5.318   4.009   4.009
  321   1HH1  ARG  39          1HH1      ARG  39   8.395   4.267   4.267
  322   2HH1  ARG  39          2HH1      ARG  39   8.222   2.526   2.526
  323   1HH2  ARG  39          1HH2      ARG  39   5.217   2.074   2.074
  324   2HH2  ARG  39          2HH2      ARG  39   6.544   1.371   1.371
  325    H    GLU  40           H        GLU  40  10.995   7.117   7.117
  326    HA   GLU  40           HA       GLU  40  12.414   9.521   9.521
  327   1HB   GLU  40          1HB       GLU  40  10.428  10.939  10.939
  328   2HB   GLU  40          2HB       GLU  40   9.807  10.009  10.009
  329   1HG   GLU  40          1HG       GLU  40  11.792  10.841  10.841
  330   2HG   GLU  40          2HG       GLU  40  12.342  11.778  11.778
  331    H    TRP  41           H        TRP  41  10.281   7.956   7.956
  332    HA   TRP  41           HA       TRP  41  12.350   7.141   7.141
  333   1HB   TRP  41          1HB       TRP  41   9.915   7.365   7.365
  334   2HB   TRP  41          2HB       TRP  41   9.536   6.009   6.009
  335    HD1  TRP  41           HD1      TRP  41  10.732   6.866   6.866
  336    HE1  TRP  41           HE1      TRP  41  10.814   4.721   4.721
  337    HE3  TRP  41           HE3      TRP  41  10.252   3.452   3.452
  338    HZ2  TRP  41           HZ2      TRP  41  10.616   1.918   1.918
  339    HZ3  TRP  41           HZ3      TRP  41  10.178   1.038   1.038
  340    HH2  TRP  41           HH2      TRP  41  10.359   0.290   0.290
  341    H    PHE  42           H        PHE  42  11.175   5.488   5.488
  342    HA   PHE  42           HA       PHE  42  12.373   2.830   2.830
  343   1HB   PHE  42          1HB       PHE  42  11.501   3.865   3.865
  344   2HB   PHE  42          2HB       PHE  42  12.093   2.254   2.254
  345    HD1  PHE  42           HD1      PHE  42  10.743   1.033   1.033
  346    HD2  PHE  42           HD2      PHE  42   9.162   3.800   3.800
  347    HE1  PHE  42           HE1      PHE  42   8.477   0.191   0.191
  348    HE2  PHE  42           HE2      PHE  42   6.909   2.938   2.938
  349    HZ   PHE  42           HZ       PHE  42   6.553   1.139   1.139
  350    H    SER  43           H        SER  43  13.445   5.636   5.636
  351    HA   SER  43           HA       SER  43  16.214   4.431   4.431
  352   1HB   SER  43          1HB       SER  43  15.189   5.425   5.425
  353   2HB   SER  43          2HB       SER  43  15.070   6.998   6.998
  354    HG   SER  43           HG       SER  43  17.438   5.486   5.486
  355    H    GLU  44           H        GLU  44  16.376   4.479   4.479
  356    HA   GLU  44           HA       GLU  44  17.808   6.532   6.532
  357   1HB   GLU  44          1HB       GLU  44  15.899   8.010   8.010
  358   2HB   GLU  44          2HB       GLU  44  14.772   6.776   6.776
  359   1HG   GLU  44          1HG       GLU  44  17.012   7.779   7.779
  360   2HG   GLU  44          2HG       GLU  44  15.500   8.648   8.648
  361    H    THR  45           H        THR  45  15.037   4.363   4.363
  362    HA   THR  45           HA       THR  45  16.406   2.812   2.812
  363    HB   THR  45           HB       THR  45  13.870   2.223   2.223
  364    HG1  THR  45           HG1      THR  45  13.875   4.087   4.087
  365   1HG2  THR  45          1HG2      THR  45  14.833   0.895   0.895
  366   2HG2  THR  45          2HG2      THR  45  13.219   0.710   0.710
  367   3HG2  THR  45          3HG2      THR  45  14.647   0.089   0.089
  368    H    PHE  46           H        PHE  46  15.671   2.044   2.044
  369    HA   PHE  46           HA       PHE  46  17.598  -0.304  -0.304
  370   1HB   PHE  46          1HB       PHE  46  15.280  -0.692  -0.692
  371   2HB   PHE  46          2HB       PHE  46  15.579   0.366   0.366
  372    HD1  PHE  46           HD2      PHE  46  17.180  -2.648  -2.648
  373    HD2  PHE  46           HD1      PHE  46  16.056  -0.826  -0.826
  374    HE1  PHE  46           HE2      PHE  46  17.855  -4.680  -4.680
  375    HE2  PHE  46           HE1      PHE  46  16.706  -2.883  -2.883
  376    HZ   PHE  46           HZ       PHE  46  17.594  -4.812  -4.812
  377    H    GLN  47           H        GLN  47  19.250   0.203   0.203
  378    HA   GLN  47           HA       GLN  47  21.198   1.229   1.229
  379   1HB   GLN  47          1HB       GLN  47  21.521   3.491   3.491
  380   2HB   GLN  47          2HB       GLN  47  20.005   3.014   3.014
  381   1HG   GLN  47          1HG       GLN  47  19.269   4.992   4.992
  382   2HG   GLN  47          2HG       GLN  47  18.947   4.014   4.014
  383   1HE2  GLN  47          2HE2      GLN  47  21.969   6.841   6.841
  384   2HE2  GLN  47          1HE2      GLN  47  21.321   6.246   6.246
  385    H    LYS  48           H        LYS  48  19.665   2.390   2.390
  386    HA   LYS  48           HA       LYS  48  22.186   2.296   2.296
  387   1HB   LYS  48          1HB       LYS  48  20.267   3.676   3.676
  388   2HB   LYS  48          2HB       LYS  48  19.257   2.285   2.285
  389   1HG   LYS  48          1HG       LYS  48  21.887   2.811   2.811
  390   2HG   LYS  48          2HG       LYS  48  20.373   3.540   3.540
  391   1HD   LYS  48          1HD       LYS  48  20.958   0.511   0.511
  392   2HD   LYS  48          2HD       LYS  48  20.989   1.605   1.605
  393   1HE   LYS  48          1HE       LYS  48  18.845   0.675   0.675
  394   2HE   LYS  48          2HE       LYS  48  18.407   2.137   2.137
  395   1HZ   LYS  48          1HZ       LYS  48  18.739  -0.566  -0.566
  396   2HZ   LYS  48          2HZ       LYS  48  17.307   0.194   0.194
  397   3HZ   LYS  48          3HZ       LYS  48  18.323   0.798   0.798
  398    H    VAL  49           H        VAL  49  19.668  -0.116  -0.116
  399    HA   VAL  49           HA       VAL  49  20.891  -2.400  -2.400
  400    HB   VAL  49           HB       VAL  49  19.357  -2.576  -2.576
  401   1HG1  VAL  49          3HG1      VAL  49  20.538  -4.701  -4.701
  402   2HG1  VAL  49          1HG1      VAL  49  19.801  -4.741  -4.741
  403   3HG1  VAL  49          2HG1      VAL  49  18.792  -4.913  -4.913
  404   1HG2  VAL  49          1HG2      VAL  49  18.178  -2.738  -2.738
  405   2HG2  VAL  49          2HG2      VAL  49  17.836  -1.469  -1.469
  406   3HG2  VAL  49          3HG2      VAL  49  17.284  -3.118  -3.118
  407    H    LYS  50           H        LYS  50  21.285  -1.191  -1.191
  408    HA   LYS  50           HA       LYS  50  23.006  -3.247  -3.247
  409   1HB   LYS  50          1HB       LYS  50  22.960  -0.360  -0.360
  410   2HB   LYS  50          2HB       LYS  50  23.781  -1.679  -1.679
  411   1HG   LYS  50          1HG       LYS  50  21.671  -2.890  -2.890
  412   2HG   LYS  50          2HG       LYS  50  20.762  -1.715  -1.715
  413   1HD   LYS  50          1HD       LYS  50  21.492   0.123   0.123
  414   2HD   LYS  50          2HD       LYS  50  22.325  -1.062  -1.062
  415   1HE   LYS  50          1HE       LYS  50  19.285  -1.128  -1.128
  416   2HE   LYS  50          2HE       LYS  50  19.993  -0.313  -0.313
  417   1HZ   LYS  50          3HZ       LYS  50  20.895  -2.439  -2.439
  418   2HZ   LYS  50          1HZ       LYS  50  20.238  -3.228  -3.228
  419   3HZ   LYS  50          2HZ       LYS  50  19.254  -2.525  -2.525
  420    H    GLU  51           H        GLU  51  24.122  -0.029  -0.029
  421    HA   GLU  51           HA       GLU  51  26.959  -0.502  -0.502
  422   1HB   GLU  51          1HB       GLU  51  27.241   1.423   1.423
  423   2HB   GLU  51          2HB       GLU  51  25.955   1.723   1.723
  424   1HG   GLU  51          1HG       GLU  51  24.264   1.206   1.206
  425   2HG   GLU  51          2HG       GLU  51  25.639   1.134   1.134
  426    H    LYS  52           H        LYS  52  24.761  -1.896  -1.896
  427    HA   LYS  52           HA       LYS  52  26.986  -2.567  -2.567
  428   1HB   LYS  52          1HB       LYS  52  23.985  -3.160  -3.160
  429   2HB   LYS  52          2HB       LYS  52  25.213  -3.555  -3.555
  430   1HG   LYS  52          1HG       LYS  52  24.389  -0.710  -0.710
  431   2HG   LYS  52          2HG       LYS  52  23.854  -1.555  -1.555
  432   1HD   LYS  52          1HD       LYS  52  26.230  -1.611  -1.611
  433   2HD   LYS  52          2HD       LYS  52  26.780  -0.765  -0.765
  434   1HE   LYS  52          1HE       LYS  52  25.288   1.210   1.210
  435   2HE   LYS  52          2HE       LYS  52  24.742   0.377   0.377
  436   1HZ   LYS  52          3HZ       LYS  52  27.563   1.147   1.147
  437   2HZ   LYS  52          1HZ       LYS  52  26.546   1.909   1.909
  438   3HZ   LYS  52          2HZ       LYS  52  27.054   0.369   0.369
  439    H    LEU  53           H        LEU  53  24.370  -4.315  -4.315
  440    HA   LEU  53           HA       LEU  53  26.362  -6.436  -6.436
  441   1HB   LEU  53          1HB       LEU  53  25.223  -8.286  -8.286
  442   2HB   LEU  53          2HB       LEU  53  25.194  -7.329  -7.329
  443    HG   LEU  53           HG       LEU  53  22.936  -7.615  -7.615
  444   1HD1  LEU  53          3HD1      LEU  53  23.400  -9.795  -9.795
  445   2HD1  LEU  53          1HD1      LEU  53  23.244  -9.041  -9.041
  446   3HD1  LEU  53          2HD1      LEU  53  21.826  -9.175  -9.175
  447   1HD2  LEU  53          2HD2      LEU  53  22.796  -6.353  -6.353
  448   2HD2  LEU  53          3HD2      LEU  53  22.557  -5.511  -5.511
  449   3HD2  LEU  53          1HD2      LEU  53  21.373  -6.706  -6.706
  450    H    LYS  54           H        LYS  54  26.085  -7.037  -7.037
  451    HA   LYS  54           HA       LYS  54  24.467  -5.002  -5.002
  452   1HB   LYS  54          1HB       LYS  54  26.816  -5.554  -5.554
  453   2HB   LYS  54          2HB       LYS  54  26.315  -7.170  -7.170
  454   1HG   LYS  54          1HG       LYS  54  24.749  -6.129  -6.129
  455   2HG   LYS  54          2HG       LYS  54  25.242  -4.521  -4.521
  456   1HD   LYS  54          1HD       LYS  54  27.628  -5.026  -5.026
  457   2HD   LYS  54          2HD       LYS  54  27.142  -6.649  -6.649
  458   1HE   LYS  54          1HE       LYS  54  25.569  -5.642  -5.642
  459   2HE   LYS  54          2HE       LYS  54  26.043  -4.015  -4.015
  460   1HZ   LYS  54          1HZ       LYS  54  27.890  -6.059  -6.059
  461   2HZ   LYS  54          2HZ       LYS  54  27.296  -4.738  -4.738
  462   3HZ   LYS  54          3HZ       LYS  54  28.334  -4.541  -4.541
  463    H    ILE  55           H        ILE  55  22.411  -5.364  -5.364
  464    HA   ILE  55           HA       ILE  55  21.339  -8.089  -8.089
  465    HB   ILE  55           HB       ILE  55  19.957  -6.164  -6.164
  466   1HG1  ILE  55          1HG1      ILE  55  20.741  -9.153  -9.153
  467   2HG1  ILE  55          2HG1      ILE  55  21.654  -7.835  -7.835
  468   1HG2  ILE  55          2HG2      ILE  55  18.279  -6.962  -6.962
  469   2HG2  ILE  55          3HG2      ILE  55  18.741  -8.650  -8.650
  470   3HG2  ILE  55          1HG2      ILE  55  17.955  -7.672  -7.672
  471   1HD1  ILE  55          2HD1      ILE  55  19.706  -7.215  -7.215
  472   2HD1  ILE  55          3HD1      ILE  55  18.806  -8.622  -8.622
  473   3HD1  ILE  55          1HD1      ILE  55  20.317  -8.869  -8.869
  474    H    ASP  56           H        ASP  56  21.259  -7.731  -7.731
  475    HA   ASP  56           HA       ASP  56  20.789  -5.157  -5.157
  476   1HB   ASP  56          1HB       ASP  56  20.824  -7.969  -7.969
  477   2HB   ASP  56          2HB       ASP  56  20.661  -6.497  -6.497
  478    H    SER  57           H        SER  57  18.561  -8.033  -8.033
  479    HA   SER  57           HA       SER  57  16.312  -6.227  -6.227
  480   1HB   SER  57          1HB       SER  57  14.957  -8.262  -8.262
  481   2HB   SER  57          2HB       SER  57  16.482  -8.417  -8.417
  482    HG   SER  57           HG       SER  57  15.965 -10.256 -10.256

  Start of MODEL    8
    1   1H    THR   1          3H        THR   1 -27.207  -6.480  -6.480
    2   2H    THR   1          1H        THR   1 -25.711  -6.543  -6.543
    3   3H    THR   1          2H        THR   1 -26.897  -5.607  -5.607
    4    HA   THR   1           HA       THR   1 -26.996  -4.217  -4.217
    5    HB   THR   1           HB       THR   1 -25.634  -3.561  -3.561
    6    HG1  THR   1           HG1      THR   1 -24.614  -2.757  -2.757
    7   1HG2  THR   1          2HG2      THR   1 -23.717  -5.191  -5.191
    8   2HG2  THR   1          3HG2      THR   1 -23.130  -4.448  -4.448
    9   3HG2  THR   1          1HG2      THR   1 -23.164  -3.502  -3.502
   10    HA   PRO   2           HA       PRO   2 -24.009  -5.285  -5.285
   11   1HB   PRO   2          1HB       PRO   2 -22.815  -7.786  -7.786
   12   2HB   PRO   2          2HB       PRO   2 -22.164  -6.600  -6.600
   13   1HG   PRO   2          1HG       PRO   2 -23.962  -8.963  -8.963
   14   2HG   PRO   2          2HG       PRO   2 -22.528  -8.391  -8.391
   15   1HD   PRO   2          1HD       PRO   2 -25.175  -7.780  -7.780
   16   2HD   PRO   2          2HD       PRO   2 -23.811  -6.719  -6.719
   17    H    ASP   3           H        ASP   3 -25.605  -5.082  -5.082
   18    HA   ASP   3           HA       ASP   3 -27.223  -7.522  -7.522
   19   1HB   ASP   3          1HB       ASP   3 -28.261  -4.674  -4.674
   20   2HB   ASP   3          2HB       ASP   3 -29.183  -5.884  -5.884
   21    H    VAL   4           H        VAL   4 -26.945  -7.876  -7.876
   22    HA   VAL   4           HA       VAL   4 -25.639  -5.871  -5.871
   23    HB   VAL   4           HB       VAL   4 -24.785  -8.177  -8.177
   24   1HG1  VAL   4          3HG1      VAL   4 -26.905  -9.561  -9.561
   25   2HG1  VAL   4          1HG1      VAL   4 -27.040  -9.328  -9.328
   26   3HG1  VAL   4          2HG1      VAL   4 -25.633 -10.158 -10.158
   27   1HG2  VAL   4          2HG2      VAL   4 -24.188  -6.767  -6.767
   28   2HG2  VAL   4          3HG2      VAL   4 -24.199  -8.488  -8.488
   29   3HG2  VAL   4          1HG2      VAL   4 -25.553  -7.439  -7.439
   30    H    SER   5           H        SER   5 -28.192  -8.067  -8.067
   31    HA   SER   5           HA       SER   5 -30.045  -7.895  -7.895
   32   1HB   SER   5          1HB       SER   5 -31.023  -6.611  -6.611
   33   2HB   SER   5          2HB       SER   5 -30.507  -5.095  -5.095
   34    HG   SER   5           HG       SER   5 -31.750  -5.697  -5.697
   35    H    SER   6           H        SER   6 -27.922  -7.798  -7.798
   36    HA   SER   6           HA       SER   6 -26.872  -7.223  -7.223
   37   1HB   SER   6          1HB       SER   6 -29.523  -5.917  -5.917
   38   2HB   SER   6          2HB       SER   6 -28.160  -6.174  -6.174
   39    HG   SER   6           HG       SER   6 -29.513  -8.182  -8.182
   40    H    ALA   7           H        ALA   7 -25.608  -5.921  -5.921
   41    HA   ALA   7           HA       ALA   7 -25.844  -2.967  -2.967
   42   1HB   ALA   7          1HB       ALA   7 -25.123  -4.095  -4.095
   43   2HB   ALA   7          2HB       ALA   7 -23.636  -4.675  -4.675
   44   3HB   ALA   7          3HB       ALA   7 -23.904  -2.933  -2.933
   45    H    LEU   8           H        LEU   8 -22.951  -5.041  -5.041
   46    HA   LEU   8           HA       LEU   8 -21.939  -2.980  -2.980
   47   1HB   LEU   8          1HB       LEU   8 -21.263  -5.942  -5.942
   48   2HB   LEU   8          2HB       LEU   8 -20.387  -4.958  -4.958
   49    HG   LEU   8           HG       LEU   8 -20.566  -4.396  -4.396
   50   1HD1  LEU   8          2HD1      LEU   8 -19.234  -6.444  -6.444
   51   2HD1  LEU   8          3HD1      LEU   8 -18.219  -5.516  -5.516
   52   3HD1  LEU   8          1HD1      LEU   8 -18.189  -5.147  -5.147
   53   1HD2  LEU   8          2HD2      LEU   8 -18.894  -2.929  -2.929
   54   2HD2  LEU   8          3HD2      LEU   8 -20.209  -2.239  -2.239
   55   3HD2  LEU   8          1HD2      LEU   8 -18.697  -2.727  -2.727
   56    H    ASP   9           H        ASP   9 -24.311  -5.500  -5.500
   57    HA   ASP   9           HA       ASP   9 -23.912  -5.592  -5.592
   58   1HB   ASP   9          1HB       ASP   9 -24.837  -7.534  -7.534
   59   2HB   ASP   9          2HB       ASP   9 -26.257  -6.602  -6.602
   60    H    LYS  10           H        LYS  10 -26.490  -4.105  -4.105
   61    HA   LYS  10           HA       LYS  10 -27.636  -2.494  -2.494
   62   1HB   LYS  10          1HB       LYS  10 -27.916  -2.127  -2.127
   63   2HB   LYS  10          2HB       LYS  10 -28.755  -1.145  -1.145
   64   1HG   LYS  10          1HG       LYS  10 -29.943  -3.114  -3.114
   65   2HG   LYS  10          2HG       LYS  10 -29.082  -4.201  -4.201
   66   1HD   LYS  10          1HD       LYS  10 -30.069  -3.056  -3.056
   67   2HD   LYS  10          2HD       LYS  10 -30.925  -1.912  -1.912
   68   1HE   LYS  10          1HE       LYS  10 -31.381  -4.981  -4.981
   69   2HE   LYS  10          2HE       LYS  10 -32.325  -3.847  -3.847
   70   1HZ   LYS  10          2HZ       LYS  10 -33.037  -2.749  -2.749
   71   2HZ   LYS  10          3HZ       LYS  10 -32.155  -3.802  -3.802
   72   3HZ   LYS  10          1HZ       LYS  10 -33.430  -4.354  -4.354
   73    H    LEU  11           H        LEU  11 -25.534  -1.444  -1.444
   74    HA   LEU  11           HA       LEU  11 -24.669   1.017   1.017
   75   1HB   LEU  11          1HB       LEU  11 -24.334   0.228   0.228
   76   2HB   LEU  11          2HB       LEU  11 -23.330   1.436   1.436
   77    HG   LEU  11           HG       LEU  11 -25.275   2.837   2.837
   78   1HD1  LEU  11          1HD2      LEU  11 -27.006   0.800   0.800
   79   2HD1  LEU  11          2HD2      LEU  11 -27.533   2.440   2.440
   80   3HD1  LEU  11          3HD2      LEU  11 -27.164   1.246   1.246
   81   1HD2  LEU  11          2HD1      LEU  11 -24.015   3.195   3.195
   82   2HD2  LEU  11          3HD1      LEU  11 -25.714   3.669   3.669
   83   3HD2  LEU  11          1HD1      LEU  11 -25.141   2.130   2.130
   84    H    LYS  12           H        LYS  12 -23.735  -0.610  -0.610
   85    HA   LYS  12           HA       LYS  12 -21.179  -1.899  -1.899
   86   1HB   LYS  12          1HB       LYS  12 -20.964  -2.580  -2.580
   87   2HB   LYS  12          2HB       LYS  12 -22.523  -2.987  -2.987
   88   1HG   LYS  12          1HG       LYS  12 -23.568  -1.019  -1.019
   89   2HG   LYS  12          2HG       LYS  12 -21.998  -0.686  -0.686
   90   1HD   LYS  12          1HD       LYS  12 -21.993  -3.023  -3.023
   91   2HD   LYS  12          2HD       LYS  12 -23.551  -3.333  -3.333
   92   1HE   LYS  12          1HE       LYS  12 -24.014  -2.783  -2.783
   93   2HE   LYS  12          2HE       LYS  12 -24.582  -1.416  -1.416
   94   1HZ   LYS  12          1HZ       LYS  12 -21.994  -1.531  -1.531
   95   2HZ   LYS  12          2HZ       LYS  12 -23.343  -0.695  -0.695
   96   3HZ   LYS  12          3HZ       LYS  12 -22.510  -0.239  -0.239
   97    H    GLU  13           H        GLU  13 -21.872   1.070   1.070
   98    HA   GLU  13           HA       GLU  13 -18.938   1.717   1.717
   99   1HB   GLU  13          1HB       GLU  13 -19.489   3.712   3.712
  100   2HB   GLU  13          2HB       GLU  13 -20.114   2.248   2.248
  101   1HG   GLU  13          1HG       GLU  13 -21.790   3.836   3.836
  102   2HG   GLU  13          2HG       GLU  13 -22.455   2.835   2.835
  103    H    PHE  14           H        PHE  14 -21.702   2.881   2.881
  104    HA   PHE  14           HA       PHE  14 -20.042   4.852   4.852
  105   1HB   PHE  14          1HB       PHE  14 -22.601   4.966   4.966
  106   2HB   PHE  14          2HB       PHE  14 -22.734   3.678   3.678
  107    HD1  PHE  14           HD1      PHE  14 -21.926   4.133   4.133
  108    HD2  PHE  14           HD2      PHE  14 -21.983   7.254   7.254
  109    HE1  PHE  14           HE1      PHE  14 -21.739   5.827   5.827
  110    HE2  PHE  14           HE2      PHE  14 -21.791   8.935   8.935
  111    HZ   PHE  14           HZ       PHE  14 -21.667   8.230   8.230
  112    H    GLY  15           H        GLY  15 -20.920   1.440   1.440
  113   1HA   GLY  15          1HA       GLY  15 -19.561   1.055   1.055
  114   2HA   GLY  15          2HA       GLY  15 -19.836  -0.221  -0.221
  115    H    ASN  16           H        ASN  16 -18.372   0.518   0.518
  116    HA   ASN  16           HA       ASN  16 -15.560   0.031   0.031
  117   1HB   ASN  16          1HB       ASN  16 -16.962   1.241   1.241
  118   2HB   ASN  16          2HB       ASN  16 -15.242   0.980   0.980
  119   1HD2  ASN  16          1HD2      ASN  16 -16.622  -1.997  -1.997
  120   2HD2  ASN  16          2HD2      ASN  16 -16.532  -0.182  -0.182
  121    H    THR  17           H        THR  17 -17.219   3.230   3.230
  122    HA   THR  17           HA       THR  17 -14.807   4.845   4.845
  123    HB   THR  17           HB       THR  17 -17.614   5.531   5.531
  124    HG1  THR  17           HG1      THR  17 -16.321   5.967   5.967
  125   1HG2  THR  17          2HG2      THR  17 -15.329   7.411   7.411
  126   2HG2  THR  17          3HG2      THR  17 -17.008   7.896   7.896
  127   3HG2  THR  17          1HG2      THR  17 -15.973   7.228   7.228
  128    H    LEU  18           H        LEU  18 -16.862   4.074   4.074
  129    HA   LEU  18           HA       LEU  18 -14.545   4.813   4.813
  130   1HB   LEU  18          1HB       LEU  18 -15.859   4.837   4.837
  131   2HB   LEU  18          2HB       LEU  18 -16.832   5.565   5.565
  132    HG   LEU  18           HG       LEU  18 -17.161   2.668   2.668
  133   1HD1  LEU  18          3HD1      LEU  18 -17.655   4.356   4.356
  134   2HD1  LEU  18          1HD1      LEU  18 -18.801   5.193   5.193
  135   3HD1  LEU  18          2HD1      LEU  18 -19.140   3.535   3.535
  136   1HD2  LEU  18          2HD2      LEU  18 -19.031   4.317   4.317
  137   2HD2  LEU  18          3HD2      LEU  18 -18.118   2.853   2.853
  138   3HD2  LEU  18          1HD2      LEU  18 -19.438   2.741   2.741
  139    H    GLU  19           H        GLU  19 -14.783   2.172   2.172
  140    HA   GLU  19           HA       GLU  19 -13.524   0.347   0.347
  141   1HB   GLU  19          1HB       GLU  19 -14.193  -0.142  -0.142
  142   2HB   GLU  19          2HB       GLU  19 -13.109  -1.204  -1.204
  143   1HG   GLU  19          1HG       GLU  19 -14.848  -1.772  -1.772
  144   2HG   GLU  19          2HG       GLU  19 -15.993  -0.664  -0.664
  145    H    ASP  20           H        ASP  20 -12.584   1.774   1.774
  146    HA   ASP  20           HA       ASP  20  -9.698   1.543   1.543
  147   1HB   ASP  20          1HB       ASP  20 -10.836   1.740   1.740
  148   2HB   ASP  20          2HB       ASP  20 -11.143   3.436   3.436
  149    H    LYS  21           H        LYS  21 -11.945   4.285   4.285
  150    HA   LYS  21           HA       LYS  21  -9.931   6.220   6.220
  151   1HB   LYS  21          1HB       LYS  21 -12.407   6.658   6.658
  152   2HB   LYS  21          2HB       LYS  21 -12.831   6.090   6.090
  153   1HG   LYS  21          1HG       LYS  21 -11.456   7.943   7.943
  154   2HG   LYS  21          2HG       LYS  21 -10.973   8.478   8.478
  155   1HD   LYS  21          1HD       LYS  21 -13.424   8.899   8.899
  156   2HD   LYS  21          2HD       LYS  21 -13.885   8.340   8.340
  157   1HE   LYS  21          1HE       LYS  21 -13.952  10.735  10.735
  158   2HE   LYS  21          2HE       LYS  21 -12.576  10.251  10.251
  159   1HZ   LYS  21          3HZ       LYS  21 -12.421  11.246  11.246
  160   2HZ   LYS  21          1HZ       LYS  21 -12.025  12.103  12.103
  161   3HZ   LYS  21          2HZ       LYS  21 -11.119  10.796  10.796
  162    H    ALA  22           H        ALA  22 -11.846   3.905   3.905
  163    HA   ALA  22           HA       ALA  22 -10.544   4.551   4.551
  164   1HB   ALA  22          2HB       ALA  22 -12.718   3.343   3.343
  165   2HB   ALA  22          3HB       ALA  22 -11.933   1.932   1.932
  166   3HB   ALA  22          1HB       ALA  22 -11.519   2.403   2.403
  167    H    ARG  23           H        ARG  23  -9.690   2.068   2.068
  168    HA   ARG  23           HA       ARG  23  -7.351   0.955   0.955
  169   1HB   ARG  23          1HB       ARG  23  -8.561  -0.021  -0.021
  170   2HB   ARG  23          2HB       ARG  23  -7.848   1.222   1.222
  171   1HG   ARG  23          1HG       ARG  23  -5.536   0.355   0.355
  172   2HG   ARG  23          2HG       ARG  23  -6.293  -0.868  -0.868
  173   1HD   ARG  23          1HD       ARG  23  -7.487  -1.820  -1.820
  174   2HD   ARG  23          2HD       ARG  23  -6.692  -0.598  -0.598
  175    HE   ARG  23           HE       ARG  23  -4.666  -2.129  -2.129
  176   1HH1  ARG  23          1HH1      ARG  23  -6.837  -2.464  -2.464
  177   2HH1  ARG  23          2HH1      ARG  23  -5.721  -3.726  -3.726
  178   1HH2  ARG  23          1HH2      ARG  23  -3.469  -3.561  -3.561
  179   2HH2  ARG  23          2HH2      ARG  23  -3.943  -4.304  -4.304
  180    H    GLU  24           H        GLU  24  -7.570   3.737   3.737
  181    HA   GLU  24           HA       GLU  24  -4.716   4.455   4.455
  182   1HB   GLU  24          1HB       GLU  24  -7.156   6.097   6.097
  183   2HB   GLU  24          2HB       GLU  24  -5.525   6.721   6.721
  184   1HG   GLU  24          1HG       GLU  24  -6.475   4.225   4.225
  185   2HG   GLU  24          2HG       GLU  24  -6.349   5.846   5.846
  186    H    LEU  25           H        LEU  25  -7.298   5.187   5.187
  187    HA   LEU  25           HA       LEU  25  -5.885   7.396   7.396
  188   1HB   LEU  25          1HB       LEU  25  -7.973   5.446   5.446
  189   2HB   LEU  25          2HB       LEU  25  -7.306   6.764   6.764
  190    HG   LEU  25           HG       LEU  25  -8.860   7.178   7.178
  191   1HD1  LEU  25          2HD1      LEU  25 -10.315   6.207   6.207
  192   2HD1  LEU  25          3HD1      LEU  25  -9.839   7.512   7.512
  193   3HD1  LEU  25          1HD1      LEU  25 -10.767   7.881   7.881
  194   1HD2  LEU  25          2HD2      LEU  25  -7.946   9.247   9.247
  195   2HD2  LEU  25          3HD2      LEU  25  -7.341   9.113   9.113
  196   3HD2  LEU  25          1HD2      LEU  25  -9.020   9.584   9.584
  197    H    ILE  26           H        ILE  26  -5.683   3.821   3.821
  198    HA   ILE  26           HA       ILE  26  -3.749   4.116   4.116
  199    HB   ILE  26           HB       ILE  26  -3.913   1.614   1.614
  200   1HG1  ILE  26          1HG1      ILE  26  -5.373   0.887   0.887
  201   2HG1  ILE  26          2HG1      ILE  26  -5.867   2.556   2.556
  202   1HG2  ILE  26          2HG2      ILE  26  -1.935   1.652   1.652
  203   2HG2  ILE  26          3HG2      ILE  26  -2.963   1.955   1.955
  204   3HG2  ILE  26          1HG2      ILE  26  -3.076   0.414   0.414
  205   1HD1  ILE  26          2HD1      ILE  26  -6.520   2.028   2.028
  206   2HD1  ILE  26          3HD1      ILE  26  -6.131   0.329   0.329
  207   3HD1  ILE  26          1HD1      ILE  26  -7.450   1.129   1.129
  208    H    SER  27           H        SER  27  -3.136   3.539   3.539
  209    HA   SER  27           HA       SER  27  -0.224   3.784   3.784
  210   1HB   SER  27          1HB       SER  27  -0.186   4.121   4.121
  211   2HB   SER  27          2HB       SER  27  -1.309   2.832   2.832
  212    HG   SER  27           HG       SER  27  -2.149   4.281   4.281
  213    H    ARG  28           H        ARG  28  -2.604   6.313   6.313
  214    HA   ARG  28           HA       ARG  28  -0.704   8.623   8.623
  215   1HB   ARG  28          1HB       ARG  28  -3.105   8.822   8.822
  216   2HB   ARG  28          2HB       ARG  28  -3.610   8.414   8.414
  217   1HG   ARG  28          1HG       ARG  28  -2.517  10.542  10.542
  218   2HG   ARG  28          2HG       ARG  28  -2.065  10.955  10.955
  219   1HD   ARG  28          1HD       ARG  28  -4.464  11.014  11.014
  220   2HD   ARG  28          2HD       ARG  28  -4.995  10.450  10.450
  221    HE   ARG  28           HE       ARG  28  -4.004  13.227  13.227
  222   1HH1  ARG  28          1HH1      ARG  28  -4.972  11.054  11.054
  223   2HH1  ARG  28          2HH1      ARG  28  -5.254  12.499  12.499
  224   1HH2  ARG  28          1HH2      ARG  28  -4.358  14.787  14.787
  225   2HH2  ARG  28          2HH2      ARG  28  -4.929  14.469  14.469
  226    H    ILE  29           H        ILE  29  -2.208   6.759   6.759
  227    HA   ILE  29           HA       ILE  29  -0.937   8.391   8.391
  228    HB   ILE  29           HB       ILE  29  -2.865   6.045   6.045
  229   1HG1  ILE  29          1HG1      ILE  29  -3.298   8.922   8.922
  230   2HG1  ILE  29          2HG1      ILE  29  -3.648   8.466   8.466
  231   1HG2  ILE  29          2HG2      ILE  29  -1.764   7.409   7.409
  232   2HG2  ILE  29          3HG2      ILE  29  -3.165   6.304   6.304
  233   3HG2  ILE  29          1HG2      ILE  29  -1.573   5.699   5.699
  234   1HD1  ILE  29          2HD1      ILE  29  -5.337   6.740   6.740
  235   2HD1  ILE  29          3HD1      ILE  29  -5.092   7.335   7.335
  236   3HD1  ILE  29          1HD1      ILE  29  -5.737   8.422   8.422
  237    H    LYS  30           H        LYS  30  -0.844   4.860   4.860
  238    HA   LYS  30           HA       LYS  30   0.773   3.501   3.501
  239   1HB   LYS  30          1HB       LYS  30   2.764   4.991   4.991
  240   2HB   LYS  30          2HB       LYS  30   3.104   3.468   3.468
  241   1HG   LYS  30          1HG       LYS  30   1.005   3.886   3.886
  242   2HG   LYS  30          2HG       LYS  30   2.609   3.205   3.205
  243   1HD   LYS  30          1HD       LYS  30   2.031   1.284   1.284
  244   2HD   LYS  30          2HD       LYS  30   0.390   1.919   1.919
  245   1HE   LYS  30          1HE       LYS  30  -0.001   1.693   1.693
  246   2HE   LYS  30          2HE       LYS  30   1.649   1.091   1.091
  247   1HZ   LYS  30          2HZ       LYS  30  -0.453  -0.234  -0.234
  248   2HZ   LYS  30          3HZ       LYS  30   0.061  -0.720  -0.720
  249   3HZ   LYS  30          1HZ       LYS  30   1.088  -0.795  -0.795
  250    H    GLN  31           H        GLN  31   0.920   6.419   6.419
  251    HA   GLN  31           HA       GLN  31   2.677   5.946   5.946
  252   1HB   GLN  31          1HB       GLN  31   3.605   7.830   7.830
  253   2HB   GLN  31          2HB       GLN  31   3.919   8.247   8.247
  254   1HG   GLN  31          1HG       GLN  31   5.100   6.030   6.030
  255   2HG   GLN  31          2HG       GLN  31   4.792   5.645   5.645
  256   1HE2  GLN  31          2HE2      GLN  31   7.934   8.108   8.108
  257   2HE2  GLN  31          1HE2      GLN  31   6.860   7.417   7.417
  258    H    SER  32           H        SER  32   1.661   8.947   8.947
  259    HA   SER  32           HA       SER  32  -1.066   8.890   8.890
  260   1HB   SER  32          1HB       SER  32  -0.148   9.139   9.139
  261   2HB   SER  32          2HB       SER  32   0.607  10.670  10.670
  262    HG   SER  32           HG       SER  32  -1.424  10.914  10.914
  263    H    GLU  33           H        GLU  33  -1.475   9.718   9.718
  264    HA   GLU  33           HA       GLU  33  -0.530  10.630  10.630
  265   1HB   GLU  33          1HB       GLU  33  -1.663  12.686  12.686
  266   2HB   GLU  33          2HB       GLU  33  -2.683  11.644  11.644
  267   1HG   GLU  33          1HG       GLU  33  -2.183  13.027  13.027
  268   2HG   GLU  33          2HG       GLU  33  -1.100  14.053  14.053
  269    H    LEU  34           H        LEU  34   1.680  10.524  10.524
  270    HA   LEU  34           HA       LEU  34   3.408  12.814  12.814
  271   1HB   LEU  34          1HB       LEU  34   3.711  11.598  11.598
  272   2HB   LEU  34          2HB       LEU  34   4.251  10.172  10.172
  273    HG   LEU  34           HG       LEU  34   5.642  12.927  12.927
  274   1HD1  LEU  34          2HD1      LEU  34   5.642  12.096  12.096
  275   2HD1  LEU  34          3HD1      LEU  34   6.335  10.541  10.541
  276   3HD1  LEU  34          1HD1      LEU  34   7.278  12.043  12.043
  277   1HD2  LEU  34          3HD2      LEU  34   6.675  10.125  10.125
  278   2HD2  LEU  34          1HD2      LEU  34   6.397  11.515  11.515
  279   3HD2  LEU  34          2HD2      LEU  34   7.693  11.580  11.580
  280    H    SER  35           H        SER  35   3.296   9.296   9.296
  281    HA   SER  35           HA       SER  35   5.294   9.355   9.355
  282   1HB   SER  35          1HB       SER  35   4.423   7.438   7.438
  283   2HB   SER  35          2HB       SER  35   3.230   7.138   7.138
  284    HG   SER  35           HG       SER  35   5.012   6.936   6.936
  285    H    ALA  36           H        ALA  36   1.936  10.139  10.139
  286    HA   ALA  36           HA       ALA  36   2.275   9.912   9.912
  287   1HB   ALA  36          1HB       ALA  36   0.236  10.752  10.752
  288   2HB   ALA  36          2HB       ALA  36   1.109  12.196  12.196
  289   3HB   ALA  36          3HB       ALA  36   0.806  11.941  11.941
  290    H    LYS  37           H        LYS  37   4.071  11.787  11.787
  291    HA   LYS  37           HA       LYS  37   5.379  13.671  13.671
  292   1HB   LYS  37          1HB       LYS  37   6.187  13.137  13.137
  293   2HB   LYS  37          2HB       LYS  37   6.917  14.323  14.323
  294   1HG   LYS  37          1HG       LYS  37   4.793  15.622  15.622
  295   2HG   LYS  37          2HG       LYS  37   3.955  14.410  14.410
  296   1HD   LYS  37          1HD       LYS  37   5.552  14.839  14.839
  297   2HD   LYS  37          2HD       LYS  37   6.343  16.100  16.100
  298   1HE   LYS  37          1HE       LYS  37   4.147  17.384  17.384
  299   2HE   LYS  37          2HE       LYS  37   3.355  16.113  16.113
  300   1HZ   LYS  37          3HZ       LYS  37   4.901  16.590  16.590
  301   2HZ   LYS  37          1HZ       LYS  37   5.641  17.777  17.777
  302   3HZ   LYS  37          2HZ       LYS  37   4.061  17.948  17.948
  303    H    MET  38           H        MET  38   6.320  10.775  10.775
  304    HA   MET  38           HA       MET  38   8.901  10.254  10.254
  305   1HB   MET  38          1HB       MET  38   6.916   8.319   8.319
  306   2HB   MET  38          2HB       MET  38   8.520   7.872   7.872
  307   1HG   MET  38          1HG       MET  38   7.920   9.984   9.984
  308   2HG   MET  38          2HG       MET  38   8.430   8.328   8.328
  309   1HE   MET  38          2HE       MET  38  10.887   7.630   7.630
  310   2HE   MET  38          1HE       MET  38  10.809   7.422   7.422
  311   3HE   MET  38          3HE       MET  38  12.194   8.275   8.275
  312    H    ARG  39           H        ARG  39   5.661   9.581   9.581
  313    HA   ARG  39           HA       ARG  39   6.726   7.858   7.858
  314   1HB   ARG  39          1HB       ARG  39   3.957   9.129   9.129
  315   2HB   ARG  39          2HB       ARG  39   4.419   8.557   8.557
  316   1HG   ARG  39          1HG       ARG  39   3.243   6.776   6.776
  317   2HG   ARG  39          2HG       ARG  39   4.925   6.265   6.265
  318   1HD   ARG  39          1HD       ARG  39   5.045   6.773   6.773
  319   2HD   ARG  39          2HD       ARG  39   3.344   7.273   7.273
  320    HE   ARG  39           HE       ARG  39   3.630   4.565   4.565
  321   1HH1  ARG  39          1HH1      ARG  39   3.722   6.224   6.224
  322   2HH1  ARG  39          2HH1      ARG  39   3.078   4.722   4.722
  323   1HH2  ARG  39          1HH2      ARG  39   2.848   2.926   2.926
  324   2HH2  ARG  39          2HH2      ARG  39   2.617   2.982   2.982
  325    H    GLU  40           H        GLU  40   7.438   8.525   8.525
  326    HA   GLU  40           HA       GLU  40   8.119  10.154  10.154
  327   1HB   GLU  40          1HB       GLU  40   8.002  12.427  12.427
  328   2HB   GLU  40          2HB       GLU  40   8.782  12.478  12.478
  329   1HG   GLU  40          1HG       GLU  40   5.773  11.896  11.896
  330   2HG   GLU  40          2HG       GLU  40   6.451  13.491  13.491
  331    H    TRP  41           H        TRP  41   9.351  10.711  10.711
  332    HA   TRP  41           HA       TRP  41  12.180  10.334  10.334
  333   1HB   TRP  41          1HB       TRP  41  11.368  11.514  11.514
  334   2HB   TRP  41          2HB       TRP  41  10.719  10.029  10.029
  335    HD1  TRP  41           HD1      TRP  41  13.995  12.004  12.004
  336    HE1  TRP  41           HE1      TRP  41  15.952  10.894  10.894
  337    HE3  TRP  41           HE3      TRP  41  11.616   7.580   7.580
  338    HZ2  TRP  41           HZ2      TRP  41  16.237   8.359   8.359
  339    HZ3  TRP  41           HZ3      TRP  41  12.799   5.837   5.837
  340    HH2  TRP  41           HH2      TRP  41  15.062   6.222   6.222
  341    H    PHE  42           H        PHE  42   9.676   7.910   7.910
  342    HA   PHE  42           HA       PHE  42  11.591   5.714   5.714
  343   1HB   PHE  42          1HB       PHE  42   8.628   5.518   5.518
  344   2HB   PHE  42          2HB       PHE  42   9.603   4.124   4.124
  345    HD1  PHE  42           HD2      PHE  42  11.113   4.728   4.728
  346    HD2  PHE  42           HD1      PHE  42   7.037   5.614   5.614
  347    HE1  PHE  42           HE2      PHE  42  10.485   4.690   4.690
  348    HE2  PHE  42           HE1      PHE  42   6.420   5.518   5.518
  349    HZ   PHE  42           HZ       PHE  42   8.143   5.081   5.081
  350    H    SER  43           H        SER  43   9.983   6.798   6.798
  351    HA   SER  43           HA       SER  43  10.919   4.584   4.584
  352   1HB   SER  43          1HB       SER  43   9.731   7.332   7.332
  353   2HB   SER  43          2HB       SER  43  10.136   6.067   6.067
  354    HG   SER  43           HG       SER  43   7.979   6.001   6.001
  355    H    GLU  44           H        GLU  44  11.976   7.950   7.950
  356    HA   GLU  44           HA       GLU  44  14.378   8.074   8.074
  357   1HB   GLU  44          1HB       GLU  44  13.187   9.958   9.958
  358   2HB   GLU  44          2HB       GLU  44  13.825   9.294   9.294
  359   1HG   GLU  44          1HG       GLU  44  16.209   9.693   9.693
  360   2HG   GLU  44          2HG       GLU  44  15.408  10.539  10.539
  361    H    THR  45           H        THR  45  14.046   6.987   6.987
  362    HA   THR  45           HA       THR  45  16.891   5.904   5.904
  363    HB   THR  45           HB       THR  45  14.664   6.057   6.057
  364    HG1  THR  45           HG1      THR  45  16.828   7.815   7.815
  365   1HG2  THR  45          3HG2      THR  45  17.694   5.646   5.646
  366   2HG2  THR  45          1HG2      THR  45  16.600   6.164   6.164
  367   3HG2  THR  45          2HG2      THR  45  16.370   4.586   4.586
  368    H    PHE  46           H        PHE  46  14.518   4.505   4.505
  369    HA   PHE  46           HA       PHE  46  14.243   1.954   1.954
  370   1HB   PHE  46          1HB       PHE  46  12.570   2.918   2.918
  371   2HB   PHE  46          2HB       PHE  46  13.536   2.341   2.341
  372    HD1  PHE  46           HD1      PHE  46  11.688   1.285   1.285
  373    HD2  PHE  46           HD2      PHE  46  13.294  -0.041  -0.041
  374    HE1  PHE  46           HE1      PHE  46  10.597  -0.898  -0.898
  375    HE2  PHE  46           HE2      PHE  46  12.171  -2.209  -2.209
  376    HZ   PHE  46           HZ       PHE  46  10.831  -2.647  -2.647
  377    H    GLN  47           H        GLN  47  15.738   1.045   1.045
  378    HA   GLN  47           HA       GLN  47  17.698  -0.632  -0.632
  379   1HB   GLN  47          1HB       GLN  47  19.809   0.603   0.603
  380   2HB   GLN  47          2HB       GLN  47  18.653   0.920   0.920
  381   1HG   GLN  47          1HG       GLN  47  18.116   3.186   3.186
  382   2HG   GLN  47          2HG       GLN  47  19.245   2.882   2.882
  383   1HE2  GLN  47          2HE2      GLN  47  20.744   4.100   4.100
  384   2HE2  GLN  47          1HE2      GLN  47  18.961   3.743   3.743
  385    H    LYS  48           H        LYS  48  17.809   2.153   2.153
  386    HA   LYS  48           HA       LYS  48  18.868   0.360   0.360
  387   1HB   LYS  48          1HB       LYS  48  17.881   3.184   3.184
  388   2HB   LYS  48          2HB       LYS  48  18.993   2.201   2.201
  389   1HG   LYS  48          1HG       LYS  48  19.491   3.719   3.719
  390   2HG   LYS  48          2HG       LYS  48  20.177   4.049   4.049
  391   1HD   LYS  48          1HD       LYS  48  20.838   1.650   1.650
  392   2HD   LYS  48          2HD       LYS  48  21.807   3.096   3.096
  393   1HE   LYS  48          1HE       LYS  48  22.171   2.508   2.508
  394   2HE   LYS  48          2HE       LYS  48  21.201   1.042   1.042
  395   1HZ   LYS  48          3HZ       LYS  48  22.817   0.275   0.275
  396   2HZ   LYS  48          1HZ       LYS  48  23.727   1.640   1.640
  397   3HZ   LYS  48          2HZ       LYS  48  23.557   0.574   0.574
  398    H    VAL  49           H        VAL  49  15.785   2.063   2.063
  399    HA   VAL  49           HA       VAL  49  14.101   0.828   0.828
  400    HB   VAL  49           HB       VAL  49  13.209   1.505   1.505
  401   1HG1  VAL  49          3HG1      VAL  49  11.458   0.277   0.277
  402   2HG1  VAL  49          1HG1      VAL  49  11.546   1.453   1.453
  403   3HG1  VAL  49          2HG1      VAL  49  10.954   1.945   1.945
  404   1HG2  VAL  49          2HG2      VAL  49  14.266   3.606   3.606
  405   2HG2  VAL  49          3HG2      VAL  49  12.526   3.786   3.786
  406   3HG2  VAL  49          1HG2      VAL  49  13.230   3.493   3.493
  407    H    LYS  50           H        LYS  50  15.066  -0.279  -0.279
  408    HA   LYS  50           HA       LYS  50  13.312  -2.521  -2.521
  409   1HB   LYS  50          1HB       LYS  50  14.425  -1.393  -1.393
  410   2HB   LYS  50          2HB       LYS  50  16.008  -1.920  -1.920
  411   1HG   LYS  50          1HG       LYS  50  15.416  -4.289  -4.289
  412   2HG   LYS  50          2HG       LYS  50  13.814  -3.801  -3.801
  413   1HD   LYS  50          1HD       LYS  50  14.850  -2.430  -2.430
  414   2HD   LYS  50          2HD       LYS  50  16.453  -2.705  -2.705
  415   1HE   LYS  50          1HE       LYS  50  16.226  -4.136  -4.136
  416   2HE   LYS  50          2HE       LYS  50  16.297  -5.155  -5.155
  417   1HZ   LYS  50          2HZ       LYS  50  13.806  -4.410  -4.410
  418   2HZ   LYS  50          3HZ       LYS  50  14.565  -5.876  -5.876
  419   3HZ   LYS  50          1HZ       LYS  50  13.849  -5.377  -5.377
  420    H    GLU  51           H        GLU  51  16.807  -2.568  -2.568
  421    HA   GLU  51           HA       GLU  51  16.908  -5.307  -5.307
  422   1HB   GLU  51          1HB       GLU  51  19.056  -4.828  -4.828
  423   2HB   GLU  51          2HB       GLU  51  18.906  -3.971  -3.971
  424   1HG   GLU  51          1HG       GLU  51  18.419  -1.820  -1.820
  425   2HG   GLU  51          2HG       GLU  51  18.786  -2.723  -2.723
  426    H    LYS  52           H        LYS  52  15.488  -2.558  -2.558
  427    HA   LYS  52           HA       LYS  52  15.811  -3.748  -3.748
  428   1HB   LYS  52          1HB       LYS  52  16.405  -1.315  -1.315
  429   2HB   LYS  52          2HB       LYS  52  14.721  -0.992  -0.992
  430   1HG   LYS  52          1HG       LYS  52  15.104  -0.250  -0.250
  431   2HG   LYS  52          2HG       LYS  52  14.113  -1.691  -1.691
  432   1HD   LYS  52          1HD       LYS  52  16.200  -3.046  -3.046
  433   2HD   LYS  52          2HD       LYS  52  17.172  -1.598  -1.598
  434   1HE   LYS  52          1HE       LYS  52  16.838  -1.864  -1.864
  435   2HE   LYS  52          2HE       LYS  52  15.880  -0.465  -0.465
  436   1HZ   LYS  52          2HZ       LYS  52  14.816  -3.221  -3.221
  437   2HZ   LYS  52          3HZ       LYS  52  14.649  -1.936  -1.936
  438   3HZ   LYS  52          1HZ       LYS  52  13.899  -1.920  -1.920
  439    H    LEU  53           H        LEU  53  13.212  -2.743  -2.743
  440    HA   LEU  53           HA       LEU  53  10.917  -3.486  -3.486
  441   1HB   LEU  53          1HB       LEU  53  11.282  -5.368  -5.368
  442   2HB   LEU  53          2HB       LEU  53   9.800  -5.066  -5.066
  443    HG   LEU  53           HG       LEU  53  10.865  -5.872  -5.872
  444   1HD1  LEU  53          1HD1      LEU  53  13.177  -6.810  -6.810
  445   2HD1  LEU  53          2HD1      LEU  53  12.890  -7.387  -7.387
  446   3HD1  LEU  53          3HD1      LEU  53  13.299  -5.695  -5.695
  447   1HD2  LEU  53          1HD2      LEU  53   9.351  -7.305  -7.305
  448   2HD2  LEU  53          2HD2      LEU  53  10.603  -8.281  -8.281
  449   3HD2  LEU  53          3HD2      LEU  53  10.736  -7.898  -7.898
  450    H    LYS  54           H        LYS  54  11.024  -3.419  -3.419
  451    HA   LYS  54           HA       LYS  54  10.279  -1.858  -1.858
  452   1HB   LYS  54          1HB       LYS  54   9.981   0.292   0.292
  453   2HB   LYS  54          2HB       LYS  54   9.776   0.529   0.529
  454   1HG   LYS  54          1HG       LYS  54  12.199  -0.279  -0.279
  455   2HG   LYS  54          2HG       LYS  54  12.403  -0.232  -0.232
  456   1HD   LYS  54          1HD       LYS  54  11.571   2.175   2.175
  457   2HD   LYS  54          2HD       LYS  54  13.225   1.823   1.823
  458   1HE   LYS  54          1HE       LYS  54  11.001   2.433   2.433
  459   2HE   LYS  54          2HE       LYS  54  12.096   3.635   3.635
  460   1HZ   LYS  54          1HZ       LYS  54  13.976   2.411   2.411
  461   2HZ   LYS  54          2HZ       LYS  54  12.967   1.271   1.271
  462   3HZ   LYS  54          3HZ       LYS  54  12.900   2.832   2.832
  463    H    ILE  55           H        ILE  55   8.372  -1.092  -1.092
  464    HA   ILE  55           HA       ILE  55   5.894  -2.288  -2.288
  465    HB   ILE  55           HB       ILE  55   6.601  -1.956  -1.956
  466   1HG1  ILE  55          1HG1      ILE  55   4.558  -1.149  -1.149
  467   2HG1  ILE  55          2HG1      ILE  55   3.978  -0.508  -0.508
  468   1HG2  ILE  55          2HG2      ILE  55   7.674   0.336   0.336
  469   2HG2  ILE  55          3HG2      ILE  55   6.066   1.073   1.073
  470   3HG2  ILE  55          1HG2      ILE  55   6.497   0.213   0.213
  471   1HD1  ILE  55          3HD1      ILE  55   4.525  -3.506  -3.506
  472   2HD1  ILE  55          1HD1      ILE  55   2.924  -2.729  -2.729
  473   3HD1  ILE  55          2HD1      ILE  55   3.839  -2.866  -2.866
  474    H    ASP  56           H        ASP  56   7.114   0.986   0.986
  475    HA   ASP  56           HA       ASP  56   4.485   2.082   2.082
  476   1HB   ASP  56          1HB       ASP  56   7.313   3.203   3.203
  477   2HB   ASP  56          2HB       ASP  56   5.840   4.026   4.026
  478    H    SER  57           H        SER  57   7.338   1.985   1.985
  479    HA   SER  57           HA       SER  57   6.329  -0.176  -0.176
  480   1HB   SER  57          1HB       SER  57   5.892   0.932   0.932
  481   2HB   SER  57          2HB       SER  57   4.680   1.349   1.349
  482    HG   SER  57           HG       SER  57   5.411   3.138   3.138

  Start of MODEL    9
    1   1H    THR   1          3H        THR   1 -17.419  -7.150  -7.150
    2   2H    THR   1          1H        THR   1 -18.883  -7.411  -7.411
    3   3H    THR   1          2H        THR   1 -18.515  -5.919  -5.919
    4    HA   THR   1           HA       THR   1 -16.723  -5.637  -5.637
    5    HB   THR   1           HB       THR   1 -18.108  -5.311  -5.311
    6    HG1  THR   1           HG1      THR   1 -19.074  -7.346  -7.346
    7   1HG2  THR   1          2HG2      THR   1 -18.829  -3.610  -3.610
    8   2HG2  THR   1          3HG2      THR   1 -20.110  -4.727  -4.727
    9   3HG2  THR   1          1HG2      THR   1 -20.140  -4.072  -4.072
   10    HA   PRO   2           HA       PRO   2 -15.055  -9.443  -9.443
   11   1HB   PRO   2          1HB       PRO   2 -13.504  -8.428  -8.428
   12   2HB   PRO   2          2HB       PRO   2 -13.029  -8.173  -8.173
   13   1HG   PRO   2          1HG       PRO   2 -14.529  -6.230  -6.230
   14   2HG   PRO   2          2HG       PRO   2 -13.134  -5.909  -5.909
   15   1HD   PRO   2          1HD       PRO   2 -15.716  -5.333  -5.333
   16   2HD   PRO   2          2HD       PRO   2 -14.499  -5.888  -5.888
   17    H    ASP   3           H        ASP   3 -16.093 -10.904 -10.904
   18    HA   ASP   3           HA       ASP   3 -18.015 -11.726 -11.726
   19   1HB   ASP   3          1HB       ASP   3 -16.237 -11.570 -11.570
   20   2HB   ASP   3          2HB       ASP   3 -16.986 -10.125 -10.125
   21    H    VAL   4           H        VAL   4 -19.769 -11.205 -11.205
   22    HA   VAL   4           HA       VAL   4 -20.893  -8.445  -8.445
   23    HB   VAL   4           HB       VAL   4 -20.602  -9.627  -9.627
   24   1HG1  VAL   4          3HG1      VAL   4 -21.299 -11.997 -11.997
   25   2HG1  VAL   4          1HG1      VAL   4 -22.996 -11.471 -11.471
   26   3HG1  VAL   4          2HG1      VAL   4 -21.970 -11.352 -11.352
   27   1HG2  VAL   4          2HG2      VAL   4 -22.181  -7.730  -7.730
   28   2HG2  VAL   4          3HG2      VAL   4 -22.699  -8.888  -8.888
   29   3HG2  VAL   4          1HG2      VAL   4 -23.524  -8.848  -8.848
   30    H    SER   5           H        SER   5 -22.901 -11.263 -11.263
   31    HA   SER   5           HA       SER   5 -24.899 -11.766 -11.766
   32   1HB   SER   5          1HB       SER   5 -23.366 -12.239 -12.239
   33   2HB   SER   5          2HB       SER   5 -23.607 -10.596 -10.596
   34    HG   SER   5           HG       SER   5 -25.852 -11.064 -11.064
   35    H    SER   6           H        SER   6 -25.314  -9.874  -9.874
   36    HA   SER   6           HA       SER   6 -26.652  -8.080  -8.080
   37   1HB   SER   6          1HB       SER   6 -28.152  -8.476  -8.476
   38   2HB   SER   6          2HB       SER   6 -28.643  -7.370  -7.370
   39    HG   SER   6           HG       SER   6 -28.658  -9.140  -9.140
   40    H    ALA   7           H        ALA   7 -24.377  -7.141  -7.141
   41    HA   ALA   7           HA       ALA   7 -24.091  -5.046  -5.046
   42   1HB   ALA   7          3HB       ALA   7 -22.098  -6.288  -6.288
   43   2HB   ALA   7          1HB       ALA   7 -22.278  -5.575  -5.575
   44   3HB   ALA   7          2HB       ALA   7 -21.913  -4.538  -4.538
   45    H    LEU   8           H        LEU   8 -24.249  -4.748  -4.748
   46    HA   LEU   8           HA       LEU   8 -25.058  -1.889  -1.889
   47   1HB   LEU   8          1HB       LEU   8 -24.256  -3.808  -3.808
   48   2HB   LEU   8          2HB       LEU   8 -25.418  -2.646  -2.646
   49    HG   LEU   8           HG       LEU   8 -23.181  -1.924  -1.924
   50   1HD1  LEU   8          3HD1      LEU   8 -24.892  -0.144  -0.144
   51   2HD1  LEU   8          1HD1      LEU   8 -24.325  -0.007  -0.007
   52   3HD1  LEU   8          2HD1      LEU   8 -23.237   0.405   0.405
   53   1HD2  LEU   8          3HD2      LEU   8 -21.875  -2.983  -2.983
   54   2HD2  LEU   8          1HD2      LEU   8 -21.454  -1.270  -1.270
   55   3HD2  LEU   8          2HD2      LEU   8 -22.489  -1.776  -1.776
   56    H    ASP   9           H        ASP   9 -26.963  -4.720  -4.720
   57    HA   ASP   9           HA       ASP   9 -29.459  -3.327  -3.327
   58   1HB   ASP   9          1HB       ASP   9 -29.159  -5.787  -5.787
   59   2HB   ASP   9          2HB       ASP   9 -29.131  -6.067  -6.067
   60    H    LYS  10           H        LYS  10 -28.385  -4.606  -4.606
   61    HA   LYS  10           HA       LYS  10 -30.364  -3.026  -3.026
   62   1HB   LYS  10          1HB       LYS  10 -27.756  -4.271  -4.271
   63   2HB   LYS  10          2HB       LYS  10 -28.998  -3.541  -3.541
   64   1HG   LYS  10          1HG       LYS  10 -30.686  -5.234  -5.234
   65   2HG   LYS  10          2HG       LYS  10 -29.405  -6.041  -6.041
   66   1HD   LYS  10          1HD       LYS  10 -29.495  -5.664  -5.664
   67   2HD   LYS  10          2HD       LYS  10 -29.979  -7.116  -7.116
   68   1HE   LYS  10          1HE       LYS  10 -27.597  -7.392  -7.392
   69   2HE   LYS  10          2HE       LYS  10 -27.101  -5.973  -5.973
   70   1HZ   LYS  10          3HZ       LYS  10 -28.248  -8.463  -8.463
   71   2HZ   LYS  10          1HZ       LYS  10 -26.659  -8.013  -8.013
   72   3HZ   LYS  10          2HZ       LYS  10 -27.786  -7.135  -7.135
   73    H    LEU  11           H        LEU  11 -26.820  -2.447  -2.447
   74    HA   LEU  11           HA       LEU  11 -27.204   0.482   0.482
   75   1HB   LEU  11          1HB       LEU  11 -24.612  -1.110  -1.110
   76   2HB   LEU  11          2HB       LEU  11 -24.742   0.589   0.589
   77    HG   LEU  11           HG       LEU  11 -25.819  -1.682  -1.682
   78   1HD1  LEU  11          2HD2      LEU  11 -23.323  -1.641  -1.641
   79   2HD1  LEU  11          3HD2      LEU  11 -23.307   0.080   0.080
   80   3HD1  LEU  11          1HD2      LEU  11 -23.895  -1.150  -1.150
   81   1HD2  LEU  11          1HD1      LEU  11 -25.666   1.344   1.344
   82   2HD2  LEU  11          2HD1      LEU  11 -27.156   0.401   0.401
   83   3HD2  LEU  11          3HD1      LEU  11 -26.115   0.059   0.059
   84    H    LYS  12           H        LYS  12 -28.407   0.601   0.601
   85    HA   LYS  12           HA       LYS  12 -26.879   0.382   0.382
   86   1HB   LYS  12          1HB       LYS  12 -28.790   1.256   1.256
   87   2HB   LYS  12          2HB       LYS  12 -29.217  -0.024  -0.024
   88   1HG   LYS  12          1HG       LYS  12 -30.098   1.731   1.731
   89   2HG   LYS  12          2HG       LYS  12 -29.744   2.984   2.984
   90   1HD   LYS  12          1HD       LYS  12 -31.298   1.859   1.859
   91   2HD   LYS  12          2HD       LYS  12 -31.650   0.600   0.600
   92   1HE   LYS  12          1HE       LYS  12 -32.595   2.356   2.356
   93   2HE   LYS  12          2HE       LYS  12 -32.243   3.617   3.617
   94   1HZ   LYS  12          1HZ       LYS  12 -34.081   1.311   1.311
   95   2HZ   LYS  12          2HZ       LYS  12 -34.536   2.873   2.873
   96   3HZ   LYS  12          3HZ       LYS  12 -33.754   2.488   2.488
   97    H    GLU  13           H        GLU  13 -27.865   3.372   3.372
   98    HA   GLU  13           HA       GLU  13 -25.995   5.040   5.040
   99   1HB   GLU  13          1HB       GLU  13 -26.553   6.923   6.923
  100   2HB   GLU  13          2HB       GLU  13 -27.987   6.123   6.123
  101   1HG   GLU  13          1HG       GLU  13 -28.350   5.048   5.048
  102   2HG   GLU  13          2HG       GLU  13 -26.911   5.863   5.863
  103    H    PHE  14           H        PHE  14 -25.850   3.703   3.703
  104    HA   PHE  14           HA       PHE  14 -23.204   4.904   4.904
  105   1HB   PHE  14          1HB       PHE  14 -24.619   2.684   2.684
  106   2HB   PHE  14          2HB       PHE  14 -23.199   3.559   3.559
  107    HD1  PHE  14           HD2      PHE  14 -23.394   6.198   6.198
  108    HD2  PHE  14           HD1      PHE  14 -26.800   3.574   3.574
  109    HE1  PHE  14           HE2      PHE  14 -24.818   7.952   7.952
  110    HE2  PHE  14           HE1      PHE  14 -28.206   5.339   5.339
  111    HZ   PHE  14           HZ       PHE  14 -27.224   7.530   7.530
  112    H    GLY  15           H        GLY  15 -24.091   1.694   1.694
  113   1HA   GLY  15          1HA       GLY  15 -21.254   0.669   0.669
  114   2HA   GLY  15          2HA       GLY  15 -22.605  -0.096  -0.096
  115    H    ASN  16           H        ASN  16 -23.297   2.598   2.598
  116    HA   ASN  16           HA       ASN  16 -21.054   2.797   2.797
  117   1HB   ASN  16          1HB       ASN  16 -23.577   2.775   2.775
  118   2HB   ASN  16          2HB       ASN  16 -23.717   4.349   4.349
  119   1HD2  ASN  16          1HD2      ASN  16 -22.756   5.754   5.754
  120   2HD2  ASN  16          2HD2      ASN  16 -23.767   5.820   5.820
  121    H    THR  17           H        THR  17 -21.622   5.849   5.849
  122    HA   THR  17           HA       THR  17 -20.685   7.742   7.742
  123    HB   THR  17           HB       THR  17 -21.880   6.854   6.854
  124    HG1  THR  17           HG1      THR  17 -23.647   7.917   7.917
  125   1HG2  THR  17          1HG2      THR  17 -21.367   9.630   9.630
  126   2HG2  THR  17          2HG2      THR  17 -22.295   9.305   9.305
  127   3HG2  THR  17          3HG2      THR  17 -20.542   8.971   8.971
  128    H    LEU  18           H        LEU  18 -19.571   6.085   6.085
  129    HA   LEU  18           HA       LEU  18 -16.827   7.119   7.119
  130   1HB   LEU  18          1HB       LEU  18 -16.193   6.185   6.185
  131   2HB   LEU  18          2HB       LEU  18 -17.588   7.196   7.196
  132    HG   LEU  18           HG       LEU  18 -17.984   4.155   4.155
  133   1HD1  LEU  18          3HD2      LEU  18 -16.220   4.410   4.410
  134   2HD1  LEU  18          1HD2      LEU  18 -17.233   5.572   5.572
  135   3HD1  LEU  18          2HD2      LEU  18 -17.748   3.874   3.874
  136   1HD2  LEU  18          1HD1      LEU  18 -19.581   6.332   6.332
  137   2HD2  LEU  18          2HD1      LEU  18 -20.090   5.505   5.505
  138   3HD2  LEU  18          3HD1      LEU  18 -19.954   4.594   4.594
  139    H    GLU  19           H        GLU  19 -18.227   4.713   4.713
  140    HA   GLU  19           HA       GLU  19 -15.922   2.766   2.766
  141   1HB   GLU  19          1HB       GLU  19 -18.257   1.920   1.920
  142   2HB   GLU  19          2HB       GLU  19 -18.585   2.857   2.857
  143   1HG   GLU  19          1HG       GLU  19 -16.872   1.455   1.455
  144   2HG   GLU  19          2HG       GLU  19 -16.577   0.538   0.538
  145    H    ASP  20           H        ASP  20 -17.769   4.931   4.931
  146    HA   ASP  20           HA       ASP  20 -15.727   5.034   5.034
  147   1HB   ASP  20          1HB       ASP  20 -18.198   5.555   5.555
  148   2HB   ASP  20          2HB       ASP  20 -17.966   7.077   7.077
  149    H    LYS  21           H        LYS  21 -16.336   7.373   7.373
  150    HA   LYS  21           HA       LYS  21 -14.241   9.220   9.220
  151   1HB   LYS  21          1HB       LYS  21 -16.199   9.213   9.213
  152   2HB   LYS  21          2HB       LYS  21 -15.195   8.198   8.198
  153   1HG   LYS  21          1HG       LYS  21 -13.484  10.068  10.068
  154   2HG   LYS  21          2HG       LYS  21 -14.442  11.016  11.016
  155   1HD   LYS  21          1HD       LYS  21 -15.087  11.874  11.874
  156   2HD   LYS  21          2HD       LYS  21 -16.438  10.844  10.844
  157   1HE   LYS  21          1HE       LYS  21 -15.548   9.002   9.002
  158   2HE   LYS  21          2HE       LYS  21 -14.192  10.045  10.045
  159   1HZ   LYS  21          2HZ       LYS  21 -15.808  11.644  11.644
  160   2HZ   LYS  21          3HZ       LYS  21 -17.070  10.669  10.669
  161   3HZ   LYS  21          1HZ       LYS  21 -15.990  10.166  10.166
  162    H    ALA  22           H        ALA  22 -13.949   6.146   6.146
  163    HA   ALA  22           HA       ALA  22 -11.147   6.526   6.526
  164   1HB   ALA  22          2HB       ALA  22 -12.626   4.992   4.992
  165   2HB   ALA  22          3HB       ALA  22 -12.755   3.909   3.909
  166   3HB   ALA  22          1HB       ALA  22 -11.189   4.127   4.127
  167    H    ARG  23           H        ARG  23 -12.486   4.509   4.509
  168    HA   ARG  23           HA       ARG  23  -9.894   3.790   3.790
  169   1HB   ARG  23          1HB       ARG  23 -10.970   3.073   3.073
  170   2HB   ARG  23          2HB       ARG  23 -11.779   2.487   2.487
  171   1HG   ARG  23          1HG       ARG  23 -13.525   4.347   4.347
  172   2HG   ARG  23          2HG       ARG  23 -12.789   4.773   4.773
  173   1HD   ARG  23          1HD       ARG  23 -13.849   1.952   1.952
  174   2HD   ARG  23          2HD       ARG  23 -14.837   3.217   3.217
  175    HE   ARG  23           HE       ARG  23 -12.467   2.881   2.881
  176   1HH1  ARG  23          1HH1      ARG  23 -15.402   1.065   1.065
  177   2HH1  ARG  23          2HH1      ARG  23 -15.342   0.183   0.183
  178   1HH2  ARG  23          1HH2      ARG  23 -12.498   1.818   1.818
  179   2HH2  ARG  23          2HH2      ARG  23 -13.807   0.582   0.582
  180    H    GLU  24           H        GLU  24 -11.887   6.662   6.662
  181    HA   GLU  24           HA       GLU  24 -10.144   7.886   7.886
  182   1HB   GLU  24          1HB       GLU  24 -12.572   8.476   8.476
  183   2HB   GLU  24          2HB       GLU  24 -12.114   9.197   9.197
  184   1HG   GLU  24          1HG       GLU  24 -10.685  10.900  10.900
  185   2HG   GLU  24          2HG       GLU  24 -11.185  10.154  10.154
  186    H    LEU  25           H        LEU  25 -10.151   8.167   8.167
  187    HA   LEU  25           HA       LEU  25  -8.039  10.270  10.270
  188   1HB   LEU  25          2HB       LEU  25  -9.585   8.807   8.807
  189   2HB   LEU  25          1HB       LEU  25  -8.025   9.445   9.445
  190    HG   LEU  25           HG       LEU  25  -8.620  11.729  11.729
  191   1HD1  LEU  25          2HD1      LEU  25 -10.427  11.283  11.283
  192   2HD1  LEU  25          3HD1      LEU  25 -11.523  10.750  10.750
  193   3HD1  LEU  25          1HD1      LEU  25 -10.950  12.429  12.429
  194   1HD2  LEU  25          3HD2      LEU  25  -8.904  11.015  11.015
  195   2HD2  LEU  25          1HD2      LEU  25 -10.120  12.227  12.227
  196   3HD2  LEU  25          2HD2      LEU  25 -10.581  10.509  10.509
  197    H    ILE  26           H        ILE  26  -7.913   6.746   6.746
  198    HA   ILE  26           HA       ILE  26  -5.016   6.743   6.743
  199    HB   ILE  26           HB       ILE  26  -7.078   4.525   4.525
  200   1HG1  ILE  26          1HG1      ILE  26  -6.328   3.819   3.819
  201   2HG1  ILE  26          2HG1      ILE  26  -5.214   5.173   5.173
  202   1HG2  ILE  26          3HG2      ILE  26  -4.060   3.995   3.995
  203   2HG2  ILE  26          1HG2      ILE  26  -5.352   2.773   2.773
  204   3HG2  ILE  26          2HG2      ILE  26  -5.059   3.580   3.580
  205   1HD1  ILE  26          1HD1      ILE  26  -8.300   5.367   5.367
  206   2HD1  ILE  26          2HD1      ILE  26  -7.283   5.503   5.503
  207   3HD1  ILE  26          3HD1      ILE  26  -7.190   6.754   6.754
  208    H    SER  27           H        SER  27  -6.872   6.013   6.013
  209    HA   SER  27           HA       SER  27  -4.543   5.509   5.509
  210   1HB   SER  27          1HB       SER  27  -5.936   5.905   5.905
  211   2HB   SER  27          2HB       SER  27  -6.834   4.971   4.971
  212    HG   SER  27           HG       SER  27  -7.828   6.937   6.937
  213    H    ARG  28           H        ARG  28  -5.970   8.652   8.652
  214    HA   ARG  28           HA       ARG  28  -4.161  10.302  10.302
  215   1HB   ARG  28          1HB       ARG  28  -6.415  11.042  11.042
  216   2HB   ARG  28          2HB       ARG  28  -5.809  11.055  11.055
  217   1HG   ARG  28          1HG       ARG  28  -4.128  12.853  12.853
  218   2HG   ARG  28          2HG       ARG  28  -4.768  12.813  12.813
  219   1HD   ARG  28          1HD       ARG  28  -7.070  13.482  13.482
  220   2HD   ARG  28          2HD       ARG  28  -6.408  13.508  13.508
  221    HE   ARG  28           HE       ARG  28  -5.224  15.565  15.565
  222   1HH1  ARG  28          1HH1      ARG  28  -6.753  14.421  14.421
  223   2HH1  ARG  28          2HH1      ARG  28  -6.476  16.059  16.059
  224   1HH2  ARG  28          1HH2      ARG  28  -4.962  17.382  17.382
  225   2HH2  ARG  28          2HH2      ARG  28  -5.530  17.620  17.620
  226    H    ILE  29           H        ILE  29  -4.126   9.515   9.515
  227    HA   ILE  29           HA       ILE  29  -1.548  10.804  10.804
  228    HB   ILE  29           HB       ILE  29  -3.553   9.179   9.179
  229   1HG1  ILE  29          1HG1      ILE  29  -3.500  11.198  11.198
  230   2HG1  ILE  29          2HG1      ILE  29  -2.264  11.936  11.936
  231   1HG2  ILE  29          3HG2      ILE  29  -0.809   9.882   9.882
  232   2HG2  ILE  29          1HG2      ILE  29  -2.240   9.347   9.347
  233   3HG2  ILE  29          2HG2      ILE  29  -1.475   8.246   8.246
  234   1HD1  ILE  29          3HD1      ILE  29  -5.177  11.363  11.363
  235   2HD1  ILE  29          1HD1      ILE  29  -4.517  12.930  12.930
  236   3HD1  ILE  29          2HD1      ILE  29  -3.950  12.195  12.195
  237    H    LYS  30           H        LYS  30  -2.018   7.295   7.295
  238    HA   LYS  30           HA       LYS  30  -0.515   5.524   5.524
  239   1HB   LYS  30          1HB       LYS  30   0.441   6.786   6.786
  240   2HB   LYS  30          2HB       LYS  30   0.847   5.179   5.179
  241   1HG   LYS  30          1HG       LYS  30  -1.955   6.178   6.178
  242   2HG   LYS  30          2HG       LYS  30  -0.923   5.173   5.173
  243   1HD   LYS  30          1HD       LYS  30  -2.176   4.324   4.324
  244   2HD   LYS  30          2HD       LYS  30  -2.796   3.930   3.930
  245   1HE   LYS  30          1HE       LYS  30  -0.673   2.628   2.628
  246   2HE   LYS  30          2HE       LYS  30  -0.053   2.997   2.997
  247   1HZ   LYS  30          1HZ       LYS  30  -2.558   1.486   1.486
  248   2HZ   LYS  30          2HZ       LYS  30  -1.125   0.837   0.837
  249   3HZ   LYS  30          3HZ       LYS  30  -1.978   1.835   1.835
  250    H    GLN  31           H        GLN  31   0.316   6.648   6.648
  251    HA   GLN  31           HA       GLN  31   1.916   7.432   7.432
  252   1HB   GLN  31          1HB       GLN  31   3.002   5.254   5.254
  253   2HB   GLN  31          2HB       GLN  31   4.046   6.278   6.278
  254   1HG   GLN  31          1HG       GLN  31   4.660   7.506   7.506
  255   2HG   GLN  31          2HG       GLN  31   3.758   6.284   6.284
  256   1HE2  GLN  31          2HE2      GLN  31   7.475   5.258   5.258
  257   2HE2  GLN  31          1HE2      GLN  31   6.641   6.811   6.811
  258    H    SER  32           H        SER  32   1.005   9.481   9.481
  259    HA   SER  32           HA       SER  32   3.315  11.366  11.366
  260   1HB   SER  32          1HB       SER  32   2.169  10.780  10.780
  261   2HB   SER  32          2HB       SER  32   0.650  11.435  11.435
  262    HG   SER  32           HG       SER  32   3.112  12.828  12.828
  263    H    GLU  33           H        GLU  33   0.040  12.749  12.749
  264    HA   GLU  33           HA       GLU  33   0.631  14.076  14.076
  265   1HB   GLU  33          1HB       GLU  33  -0.852  14.885  14.885
  266   2HB   GLU  33          2HB       GLU  33  -2.085  13.755  13.755
  267   1HG   GLU  33          1HG       GLU  33  -2.222  15.008  15.008
  268   2HG   GLU  33          2HG       GLU  33  -0.904  16.059  16.059
  269    H    LEU  34           H        LEU  34   0.145  10.907  10.907
  270    HA   LEU  34           HA       LEU  34  -1.131  10.543  10.543
  271   1HB   LEU  34          1HB       LEU  34  -1.641   8.782   8.782
  272   2HB   LEU  34          2HB       LEU  34   0.016   8.552   8.552
  273    HG   LEU  34           HG       LEU  34  -1.076   6.779   6.779
  274   1HD1  LEU  34          2HD1      LEU  34   1.407   6.859   6.859
  275   2HD1  LEU  34          3HD1      LEU  34   1.579   7.775   7.775
  276   3HD1  LEU  34          1HD1      LEU  34   0.931   6.123   6.123
  277   1HD2  LEU  34          3HD2      LEU  34  -2.219   8.215   8.215
  278   2HD2  LEU  34          1HD2      LEU  34  -1.193   6.963   6.963
  279   3HD2  LEU  34          2HD2      LEU  34  -0.638   8.649   8.649
  280    H    SER  35           H        SER  35   1.961  10.367  10.367
  281    HA   SER  35           HA       SER  35   3.565  10.208  10.208
  282   1HB   SER  35          1HB       SER  35   4.319   9.912   9.912
  283   2HB   SER  35          2HB       SER  35   5.501   9.962   9.962
  284    HG   SER  35           HG       SER  35   4.414   8.225   8.225
  285    H    ALA  36           H        ALA  36   5.026  12.012  12.012
  286    HA   ALA  36           HA       ALA  36   5.642  14.342  14.342
  287   1HB   ALA  36          2HB       ALA  36   3.272  14.981  14.981
  288   2HB   ALA  36          3HB       ALA  36   3.369  15.159  15.159
  289   3HB   ALA  36          1HB       ALA  36   4.352  16.198  16.198
  290    H    LYS  37           H        LYS  37   4.865  13.987  13.987
  291    HA   LYS  37           HA       LYS  37   7.590  14.905  14.905
  292   1HB   LYS  37          1HB       LYS  37   5.537  15.421  15.421
  293   2HB   LYS  37          2HB       LYS  37   5.271  13.723  13.723
  294   1HG   LYS  37          1HG       LYS  37   7.883  15.174  15.174
  295   2HG   LYS  37          2HG       LYS  37   6.420  15.302  15.302
  296   1HD   LYS  37          1HD       LYS  37   6.351  12.810  12.810
  297   2HD   LYS  37          2HD       LYS  37   7.834  12.631  12.631
  298   1HE   LYS  37          1HE       LYS  37   9.080  14.085  14.085
  299   2HE   LYS  37          2HE       LYS  37   7.600  14.241  14.241
  300   1HZ   LYS  37          1HZ       LYS  37   8.980  11.670  11.670
  301   2HZ   LYS  37          2HZ       LYS  37   9.014  12.469  12.469
  302   3HZ   LYS  37          3HZ       LYS  37   7.600  11.814  11.814
  303    H    MET  38           H        MET  38   5.775  11.774  11.774
  304    HA   MET  38           HA       MET  38   8.048  10.089  10.089
  305   1HB   MET  38          1HB       MET  38   5.717   9.217   9.217
  306   2HB   MET  38          2HB       MET  38   6.883   8.166   8.166
  307   1HG   MET  38          1HG       MET  38   4.728   9.827   9.827
  308   2HG   MET  38          2HG       MET  38   4.801   8.082   8.082
  309   1HE   MET  38          1HE       MET  38   6.366   6.439   6.439
  310   2HE   MET  38          3HE       MET  38   7.840   7.173   7.173
  311   3HE   MET  38          2HE       MET  38   7.697   6.990   6.990
  312    H    ARG  39           H        ARG  39   7.280  11.507  11.507
  313    HA   ARG  39           HA       ARG  39   9.256   9.898   9.898
  314   1HB   ARG  39          1HB       ARG  39   8.229  12.705  12.705
  315   2HB   ARG  39          2HB       ARG  39   9.233  11.710  11.710
  316   1HG   ARG  39          1HG       ARG  39   6.332  11.223  11.223
  317   2HG   ARG  39          2HG       ARG  39   6.977  11.581  11.581
  318   1HD   ARG  39          1HD       ARG  39   7.300   8.940   8.940
  319   2HD   ARG  39          2HD       ARG  39   6.232   9.216   9.216
  320    HE   ARG  39           HE       ARG  39   9.301   9.021   9.021
  321   1HH1  ARG  39          1HH1      ARG  39   6.220   9.146   9.146
  322   2HH1  ARG  39          2HH1      ARG  39   7.083   8.629   8.629
  323   1HH2  ARG  39          1HH2      ARG  39  10.159   8.429   8.429
  324   2HH2  ARG  39          2HH2      ARG  39   9.161   8.252   8.252
  325    H    GLU  40           H        GLU  40   9.646  12.912  12.912
  326    HA   GLU  40           HA       GLU  40  12.518  13.318  13.318
  327   1HB   GLU  40          1HB       GLU  40  10.908  14.077  14.077
  328   2HB   GLU  40          2HB       GLU  40  12.559  14.584  14.584
  329   1HG   GLU  40          1HG       GLU  40  11.868  15.865  15.865
  330   2HG   GLU  40          2HG       GLU  40  10.203  15.316  15.316
  331    H    TRP  41           H        TRP  41  10.825  11.481  11.481
  332    HA   TRP  41           HA       TRP  41  13.191  10.252  10.252
  333   1HB   TRP  41          1HB       TRP  41  10.989  10.442  10.442
  334   2HB   TRP  41          2HB       TRP  41  10.228   9.425   9.425
  335    HD1  TRP  41           HD1      TRP  41  12.207   9.230   9.230
  336    HE1  TRP  41           HE1      TRP  41  12.235   6.760   6.760
  337    HE3  TRP  41           HE3      TRP  41  10.503   6.996   6.996
  338    HZ2  TRP  41           HZ2      TRP  41  11.478   4.236   4.236
  339    HZ3  TRP  41           HZ3      TRP  41  10.138   4.538   4.538
  340    HH2  TRP  41           HH2      TRP  41  10.623   3.189   3.189
  341    H    PHE  42           H        PHE  42  11.227   9.142   9.142
  342    HA   PHE  42           HA       PHE  42  12.667   6.560   6.560
  343   1HB   PHE  42          1HB       PHE  42  10.964   8.132   8.132
  344   2HB   PHE  42          2HB       PHE  42  11.805   6.695   6.695
  345    HD1  PHE  42           HD1      PHE  42  11.439   4.501   4.501
  346    HD2  PHE  42           HD2      PHE  42   8.674   7.784   7.784
  347    HE1  PHE  42           HE1      PHE  42   9.579   3.006   3.006
  348    HE2  PHE  42           HE2      PHE  42   6.844   6.294   6.294
  349    HZ   PHE  42           HZ       PHE  42   7.283   3.898   3.898
  350    H    SER  43           H        SER  43  13.271   9.789   9.789
  351    HA   SER  43           HA       SER  43  15.715   8.943   8.943
  352   1HB   SER  43          1HB       SER  43  15.923  11.275  11.275
  353   2HB   SER  43          2HB       SER  43  14.341  10.606  10.606
  354    HG   SER  43           HG       SER  43  14.969  12.263  12.263
  355    H    GLU  44           H        GLU  44  16.579   8.063   8.063
  356    HA   GLU  44           HA       GLU  44  18.460   9.248   9.248
  357   1HB   GLU  44          1HB       GLU  44  16.811  10.844  10.844
  358   2HB   GLU  44          2HB       GLU  44  15.606   9.599   9.599
  359   1HG   GLU  44          1HG       GLU  44  17.168   8.569   8.569
  360   2HG   GLU  44          2HG       GLU  44  18.166  10.010  10.010
  361    H    THR  45           H        THR  45  15.463   7.336   7.336
  362    HA   THR  45           HA       THR  45  17.034   5.138   5.138
  363    HB   THR  45           HB       THR  45  14.024   5.603   5.603
  364    HG1  THR  45           HG1      THR  45  15.929   6.305   6.305
  365   1HG2  THR  45          1HG2      THR  45  15.679   3.854   3.854
  366   2HG2  THR  45          2HG2      THR  45  13.982   4.325   4.325
  367   3HG2  THR  45          3HG2      THR  45  14.401   3.311   3.311
  368    H    PHE  46           H        PHE  46  15.910   5.437   5.437
  369    HA   PHE  46           HA       PHE  46  14.870   2.616   2.616
  370   1HB   PHE  46          1HB       PHE  46  13.776   4.488   4.488
  371   2HB   PHE  46          2HB       PHE  46  15.172   4.612   4.612
  372    HD1  PHE  46           HD1      PHE  46  12.264   2.497   2.497
  373    HD2  PHE  46           HD2      PHE  46  15.481   2.898   2.898
  374    HE1  PHE  46           HE1      PHE  46  11.244   0.773   0.773
  375    HE2  PHE  46           HE2      PHE  46  14.440   1.168   1.168
  376    HZ   PHE  46           HZ       PHE  46  12.329   0.092   0.092
  377    H    GLN  47           H        GLN  47  16.192   1.437   1.437
  378    HA   GLN  47           HA       GLN  47  18.574   0.410   0.410
  379   1HB   GLN  47          1HB       GLN  47  20.500   1.219   1.219
  380   2HB   GLN  47          2HB       GLN  47  19.849   2.366   2.366
  381   1HG   GLN  47          1HG       GLN  47  18.753   3.654   3.654
  382   2HG   GLN  47          2HG       GLN  47  19.482   2.532   2.532
  383   1HE2  GLN  47          2HE2      GLN  47  21.804   5.510   5.510
  384   2HE2  GLN  47          1HE2      GLN  47  20.066   5.244   5.244
  385    H    LYS  48           H        LYS  48  17.515   1.351   1.351
  386    HA   LYS  48           HA       LYS  48  17.810  -1.432  -1.432
  387   1HB   LYS  48          1HB       LYS  48  18.067   0.598   0.598
  388   2HB   LYS  48          2HB       LYS  48  16.388   1.037   1.037
  389   1HG   LYS  48          1HG       LYS  48  15.667  -1.160  -1.160
  390   2HG   LYS  48          2HG       LYS  48  17.362  -1.555  -1.555
  391   1HD   LYS  48          1HD       LYS  48  17.601   0.541   0.541
  392   2HD   LYS  48          2HD       LYS  48  15.932   0.966   0.966
  393   1HE   LYS  48          1HE       LYS  48  16.778  -1.698  -1.698
  394   2HE   LYS  48          2HE       LYS  48  16.419  -0.224  -0.224
  395   1HZ   LYS  48          1HZ       LYS  48  14.169  -0.252  -0.252
  396   2HZ   LYS  48          2HZ       LYS  48  14.492  -1.642  -1.642
  397   3HZ   LYS  48          3HZ       LYS  48  14.494  -1.648  -1.648
  398    H    VAL  49           H        VAL  49  15.017   0.713   0.713
  399    HA   VAL  49           HA       VAL  49  12.922  -1.298  -1.298
  400    HB   VAL  49           HB       VAL  49  12.848   0.876   0.876
  401   1HG1  VAL  49          3HG1      VAL  49  10.936  -0.742  -0.742
  402   2HG1  VAL  49          1HG1      VAL  49  10.588  -0.339  -0.339
  403   3HG1  VAL  49          2HG1      VAL  49  10.386   0.883   0.883
  404   1HG2  VAL  49          2HG2      VAL  49  12.205   1.427   1.427
  405   2HG2  VAL  49          3HG2      VAL  49  13.491   2.184   2.184
  406   3HG2  VAL  49          1HG2      VAL  49  11.799   2.508   2.508
  407    H    LYS  50           H        LYS  50  15.091  -0.377  -0.377
  408    HA   LYS  50           HA       LYS  50  13.961  -2.020  -2.020
  409   1HB   LYS  50          1HB       LYS  50  15.496  -0.049  -0.049
  410   2HB   LYS  50          2HB       LYS  50  16.815  -0.945  -0.945
  411   1HG   LYS  50          1HG       LYS  50  16.857  -2.526  -2.526
  412   2HG   LYS  50          2HG       LYS  50  15.496  -1.709  -1.709
  413   1HD   LYS  50          1HD       LYS  50  16.841   0.408   0.408
  414   2HD   LYS  50          2HD       LYS  50  18.145  -0.291  -0.291
  415   1HE   LYS  50          1HE       LYS  50  18.841  -0.352  -0.352
  416   2HE   LYS  50          2HE       LYS  50  18.576  -2.013  -2.013
  417   1HZ   LYS  50          2HZ       LYS  50  16.668  -0.382  -0.382
  418   2HZ   LYS  50          3HZ       LYS  50  17.633  -1.595  -1.595
  419   3HZ   LYS  50          1HZ       LYS  50  16.401  -1.941  -1.941
  420    H    GLU  51           H        GLU  51  16.554  -2.824  -2.824
  421    HA   GLU  51           HA       GLU  51  17.021  -5.590  -5.590
  422   1HB   GLU  51          1HB       GLU  51  17.607  -4.235  -4.235
  423   2HB   GLU  51          2HB       GLU  51  18.030  -5.904  -5.904
  424   1HG   GLU  51          1HG       GLU  51  19.507  -5.248  -5.248
  425   2HG   GLU  51          2HG       GLU  51  19.085  -3.558  -3.558
  426    H    LYS  52           H        LYS  52  14.387  -4.311  -4.311
  427    HA   LYS  52           HA       LYS  52  13.534  -7.052  -7.052
  428   1HB   LYS  52          1HB       LYS  52  12.209  -4.294  -4.294
  429   2HB   LYS  52          2HB       LYS  52  11.379  -5.793  -5.793
  430   1HG   LYS  52          1HG       LYS  52  12.095  -5.174  -5.174
  431   2HG   LYS  52          2HG       LYS  52  13.205  -6.460  -6.460
  432   1HD   LYS  52          1HD       LYS  52  14.968  -4.687  -4.687
  433   2HD   LYS  52          2HD       LYS  52  13.793  -3.436  -3.436
  434   1HE   LYS  52          1HE       LYS  52  15.246  -3.609  -3.609
  435   2HE   LYS  52          2HE       LYS  52  13.699  -4.281  -4.281
  436   1HZ   LYS  52          2HZ       LYS  52  16.085  -5.869  -5.869
  437   2HZ   LYS  52          3HZ       LYS  52  15.556  -5.663  -5.663
  438   3HZ   LYS  52          1HZ       LYS  52  14.642  -6.521  -6.521
  439    H    LEU  53           H        LEU  53  12.426  -4.601  -4.601
  440    HA   LEU  53           HA       LEU  53  10.266  -6.195  -6.195
  441   1HB   LEU  53          1HB       LEU  53  11.978  -3.899  -3.899
  442   2HB   LEU  53          2HB       LEU  53  10.654  -4.539  -4.539
  443    HG   LEU  53           HG       LEU  53  10.291  -3.336  -3.336
  444   1HD1  LEU  53          3HD2      LEU  53  11.191  -1.615  -1.615
  445   2HD1  LEU  53          1HD2      LEU  53   9.899  -1.954  -1.954
  446   3HD1  LEU  53          2HD2      LEU  53   9.503  -1.264  -1.264
  447   1HD2  LEU  53          1HD1      LEU  53   8.193  -3.973  -3.973
  448   2HD2  LEU  53          2HD1      LEU  53   8.401  -4.852  -4.852
  449   3HD2  LEU  53          3HD1      LEU  53   7.869  -3.162  -3.162
  450    H    LYS  54           H        LYS  54  13.619  -5.736  -5.736
  451    HA   LYS  54           HA       LYS  54  13.464  -7.745  -7.745
  452   1HB   LYS  54          1HB       LYS  54  15.042  -5.718  -5.718
  453   2HB   LYS  54          2HB       LYS  54  16.002  -6.548  -6.548
  454   1HG   LYS  54          1HG       LYS  54  16.367  -8.440  -8.440
  455   2HG   LYS  54          2HG       LYS  54  15.489  -7.495  -7.495
  456   1HD   LYS  54          1HD       LYS  54  18.087  -6.633  -6.633
  457   2HD   LYS  54          2HD       LYS  54  18.003  -7.362  -7.362
  458   1HE   LYS  54          1HE       LYS  54  16.651  -5.364  -5.364
  459   2HE   LYS  54          2HE       LYS  54  16.805  -4.606  -4.606
  460   1HZ   LYS  54          3HZ       LYS  54  19.228  -4.648  -4.648
  461   2HZ   LYS  54          1HZ       LYS  54  19.087  -5.351  -5.351
  462   3HZ   LYS  54          2HZ       LYS  54  18.510  -3.823  -3.823
  463    H    ILE  55           H        ILE  55  14.390  -7.992  -7.992
  464    HA   ILE  55           HA       ILE  55  15.187  -9.668  -9.668
  465    HB   ILE  55           HB       ILE  55  14.383 -11.672 -11.672
  466   1HG1  ILE  55          1HG1      ILE  55  12.453 -10.335 -10.335
  467   2HG1  ILE  55          2HG1      ILE  55  12.340 -12.022 -12.022
  468   1HG2  ILE  55          3HG2      ILE  55  15.166 -12.229 -12.229
  469   2HG2  ILE  55          1HG2      ILE  55  14.407 -13.398 -13.398
  470   3HG2  ILE  55          2HG2      ILE  55  16.024 -12.765 -12.765
  471   1HD1  ILE  55          1HD1      ILE  55  13.132  -9.838  -9.838
  472   2HD1  ILE  55          2HD1      ILE  55  11.528 -10.586 -10.586
  473   3HD1  ILE  55          3HD1      ILE  55  12.910 -11.567 -11.567
  474    H    ASP  56           H        ASP  56  17.189  -9.122  -9.122
  475    HA   ASP  56           HA       ASP  56  19.295  -9.316  -9.316
  476   1HB   ASP  56          1HB       ASP  56  19.146  -7.572  -7.572
  477   2HB   ASP  56          2HB       ASP  56  19.605  -8.763  -8.763
  478    H    SER  57           H        SER  57  19.478 -10.982 -10.982
  479    HA   SER  57           HA       SER  57  21.018 -13.256 -13.256
  480   1HB   SER  57          1HB       SER  57  21.756 -12.268 -12.268
  481   2HB   SER  57          2HB       SER  57  20.245 -12.784 -12.784
  482    HG   SER  57           HG       SER  57  21.939 -14.257 -14.257

  Start of MODEL   10
    1   1H    THR   1          2H        THR   1 -45.620  -7.616  -7.616
    2   2H    THR   1          3H        THR   1 -46.860  -6.568  -6.568
    3   3H    THR   1          1H        THR   1 -46.984  -8.150  -8.150
    4    HA   THR   1           HA       THR   1 -45.209  -7.934  -7.934
    5    HB   THR   1           HB       THR   1 -47.433  -7.726  -7.726
    6    HG1  THR   1           HG1      THR   1 -46.986  -6.466  -6.466
    7   1HG2  THR   1          2HG2      THR   1 -48.341  -5.824  -5.824
    8   2HG2  THR   1          3HG2      THR   1 -47.350  -4.675  -4.675
    9   3HG2  THR   1          1HG2      THR   1 -48.630  -5.608  -5.608
   10    HA   PRO   2           HA       PRO   2 -42.913  -4.111  -4.111
   11   1HB   PRO   2          1HB       PRO   2 -40.566  -5.259  -5.259
   12   2HB   PRO   2          2HB       PRO   2 -42.059  -5.372  -5.372
   13   1HG   PRO   2          1HG       PRO   2 -40.843  -7.498  -7.498
   14   2HG   PRO   2          2HG       PRO   2 -41.567  -7.683  -7.683
   15   1HD   PRO   2          1HD       PRO   2 -42.915  -8.226  -8.226
   16   2HD   PRO   2          2HD       PRO   2 -43.797  -7.719  -7.719
   17    H    ASP   3           H        ASP   3 -42.750  -3.225  -3.225
   18    HA   ASP   3           HA       ASP   3 -40.960  -4.380  -4.380
   19   1HB   ASP   3          1HB       ASP   3 -42.956  -2.031  -2.031
   20   2HB   ASP   3          2HB       ASP   3 -41.986  -2.583  -2.583
   21    H    VAL   4           H        VAL   4 -38.979  -3.828  -3.828
   22    HA   VAL   4           HA       VAL   4 -37.978  -1.024  -1.024
   23    HB   VAL   4           HB       VAL   4 -38.034  -2.327  -2.327
   24   1HG1  VAL   4          1HG1      VAL   4 -37.530  -4.669  -4.669
   25   2HG1  VAL   4          2HG1      VAL   4 -35.829  -4.216  -4.216
   26   3HG1  VAL   4          3HG1      VAL   4 -36.547  -4.135  -4.135
   27   1HG2  VAL   4          2HG2      VAL   4 -36.457  -0.451  -0.451
   28   2HG2  VAL   4          3HG2      VAL   4 -35.779  -1.690  -1.690
   29   3HG2  VAL   4          1HG2      VAL   4 -35.206  -1.558  -1.558
   30    H    SER   5           H        SER   5 -35.559  -3.285  -3.285
   31    HA   SER   5           HA       SER   5 -33.706  -3.278  -3.278
   32   1HB   SER   5          1HB       SER   5 -35.748  -3.382  -3.382
   33   2HB   SER   5          2HB       SER   5 -34.014  -3.677  -3.677
   34    HG   SER   5           HG       SER   5 -35.792  -5.100  -5.100
   35    H    SER   6           H        SER   6 -34.071  -0.964  -0.964
   36    HA   SER   6           HA       SER   6 -32.857   1.039   1.039
   37   1HB   SER   6          1HB       SER   6 -35.629   1.659   1.659
   38   2HB   SER   6          2HB       SER   6 -34.532   2.856   2.856
   39    HG   SER   6           HG       SER   6 -36.057   2.074   2.074
   40    H    ALA   7           H        ALA   7 -34.598   1.071   1.071
   41    HA   ALA   7           HA       ALA   7 -32.272   2.261   2.261
   42   1HB   ALA   7          2HB       ALA   7 -34.569   2.548   2.548
   43   2HB   ALA   7          3HB       ALA   7 -34.730   0.789   0.789
   44   3HB   ALA   7          1HB       ALA   7 -33.527   1.709   1.709
   45    H    LEU   8           H        LEU   8 -33.535  -1.065  -1.065
   46    HA   LEU   8           HA       LEU   8 -31.255  -2.462  -2.462
   47   1HB   LEU   8          1HB       LEU   8 -33.556  -3.412  -3.412
   48   2HB   LEU   8          2HB       LEU   8 -33.324  -3.393  -3.393
   49    HG   LEU   8           HG       LEU   8 -33.223  -5.601  -5.601
   50   1HD1  LEU   8          2HD1      LEU   8 -32.298  -5.347  -5.347
   51   2HD1  LEU   8          3HD1      LEU   8 -30.673  -5.089  -5.089
   52   3HD1  LEU   8          1HD1      LEU   8 -31.505  -6.636  -6.636
   53   1HD2  LEU   8          3HD2      LEU   8 -31.908  -4.980  -4.980
   54   2HD2  LEU   8          1HD2      LEU   8 -31.223  -6.392  -6.392
   55   3HD2  LEU   8          2HD2      LEU   8 -30.439  -4.803  -4.803
   56    H    ASP   9           H        ASP   9 -31.774  -1.301  -1.301
   57    HA   ASP   9           HA       ASP   9 -29.399  -2.405  -2.405
   58   1HB   ASP   9          1HB       ASP   9 -31.355  -1.000  -1.000
   59   2HB   ASP   9          2HB       ASP   9 -30.460   0.413   0.413
   60    H    LYS  10           H        LYS  10 -29.712   0.738   0.738
   61    HA   LYS  10           HA       LYS  10 -26.681   0.789   0.789
   62   1HB   LYS  10          1HB       LYS  10 -28.776   2.993   2.993
   63   2HB   LYS  10          2HB       LYS  10 -27.114   3.098   3.098
   64   1HG   LYS  10          1HG       LYS  10 -26.255   2.803   2.803
   65   2HG   LYS  10          2HG       LYS  10 -27.915   2.737   2.737
   66   1HD   LYS  10          1HD       LYS  10 -28.325   5.083   5.083
   67   2HD   LYS  10          2HD       LYS  10 -26.671   5.116   5.116
   68   1HE   LYS  10          1HE       LYS  10 -26.669   6.372   6.372
   69   2HE   LYS  10          2HE       LYS  10 -25.808   4.876   4.876
   70   1HZ   LYS  10          2HZ       LYS  10 -28.655   5.439   5.439
   71   2HZ   LYS  10          3HZ       LYS  10 -27.377   5.437   5.437
   72   3HZ   LYS  10          1HZ       LYS  10 -27.864   4.028   4.028
   73    H    LEU  11           H        LEU  11 -27.576  -1.288  -1.288
   74    HA   LEU  11           HA       LEU  11 -27.021  -0.507  -0.507
   75   1HB   LEU  11          1HB       LEU  11 -29.460  -1.181  -1.181
   76   2HB   LEU  11          2HB       LEU  11 -28.960  -2.744  -2.744
   77    HG   LEU  11           HG       LEU  11 -27.766  -3.176  -3.176
   78   1HD1  LEU  11          3HD2      LEU  11 -29.222  -0.602  -0.602
   79   2HD1  LEU  11          1HD2      LEU  11 -28.410  -1.771  -1.771
   80   3HD1  LEU  11          2HD2      LEU  11 -27.459  -0.832  -0.832
   81   1HD2  LEU  11          2HD1      LEU  11 -30.020  -4.121  -4.121
   82   2HD2  LEU  11          3HD1      LEU  11 -29.881  -3.693  -3.693
   83   3HD2  LEU  11          1HD1      LEU  11 -30.807  -2.644  -2.644
   84    H    LYS  12           H        LYS  12 -27.190  -3.565  -3.565
   85    HA   LYS  12           HA       LYS  12 -24.597  -4.530  -4.530
   86   1HB   LYS  12          1HB       LYS  12 -24.756  -6.389  -6.389
   87   2HB   LYS  12          2HB       LYS  12 -26.370  -6.081  -6.081
   88   1HG   LYS  12          1HG       LYS  12 -25.285  -5.567  -5.567
   89   2HG   LYS  12          2HG       LYS  12 -26.292  -6.905  -6.905
   90   1HD   LYS  12          1HD       LYS  12 -28.191  -5.349  -5.349
   91   2HD   LYS  12          2HD       LYS  12 -27.227  -3.961  -3.961
   92   1HE   LYS  12          1HE       LYS  12 -27.954  -6.283  -6.283
   93   2HE   LYS  12          2HE       LYS  12 -28.882  -4.795  -4.795
   94   1HZ   LYS  12          1HZ       LYS  12 -26.933  -3.529  -3.529
   95   2HZ   LYS  12          2HZ       LYS  12 -26.042  -4.910  -4.910
   96   3HZ   LYS  12          3HZ       LYS  12 -27.351  -4.653  -4.653
   97    H    GLU  13           H        GLU  13 -25.422  -2.965  -2.965
   98    HA   GLU  13           HA       GLU  13 -22.466  -2.467  -2.467
   99   1HB   GLU  13          1HB       GLU  13 -23.876  -3.452  -3.452
  100   2HB   GLU  13          2HB       GLU  13 -24.869  -2.011  -2.011
  101   1HG   GLU  13          1HG       GLU  13 -23.326  -1.907  -1.907
  102   2HG   GLU  13          2HG       GLU  13 -22.889  -0.629  -0.629
  103    H    PHE  14           H        PHE  14 -22.464  -1.125  -1.125
  104    HA   PHE  14           HA       PHE  14 -22.703   1.737   1.737
  105   1HB   PHE  14          1HB       PHE  14 -25.042   1.350   1.350
  106   2HB   PHE  14          2HB       PHE  14 -24.520   0.776   0.776
  107    HD1  PHE  14           HD2      PHE  14 -24.538   3.763   3.763
  108    HD2  PHE  14           HD1      PHE  14 -24.042   2.430   2.430
  109    HE1  PHE  14           HE2      PHE  14 -24.635   6.093   6.093
  110    HE2  PHE  14           HE1      PHE  14 -24.138   4.767   4.767
  111    HZ   PHE  14           HZ       PHE  14 -24.434   6.600   6.600
  112    H    GLY  15           H        GLY  15 -22.121  -0.537  -0.537
  113   1HA   GLY  15          1HA       GLY  15 -19.675   0.932   0.932
  114   2HA   GLY  15          2HA       GLY  15 -20.133  -0.683  -0.683
  115    H    ASN  16           H        ASN  16 -20.373  -1.943  -1.943
  116    HA   ASN  16           HA       ASN  16 -17.648  -2.437  -2.437
  117   1HB   ASN  16          1HB       ASN  16 -19.641  -4.027  -4.027
  118   2HB   ASN  16          2HB       ASN  16 -20.291  -3.030  -3.030
  119   1HD2  ASN  16          1HD2      ASN  16 -17.134  -5.561  -5.561
  120   2HD2  ASN  16          2HD2      ASN  16 -17.576  -5.137  -5.137
  121    H    THR  17           H        THR  17 -19.999   0.040   0.040
  122    HA   THR  17           HA       THR  17 -18.787   0.634   0.634
  123    HB   THR  17           HB       THR  17 -20.467   2.450   2.450
  124    HG1  THR  17           HG1      THR  17 -22.107   1.724   1.724
  125   1HG2  THR  17          3HG2      THR  17 -19.952   2.659   2.659
  126   2HG2  THR  17          1HG2      THR  17 -21.130   3.622   3.622
  127   3HG2  THR  17          2HG2      THR  17 -19.388   3.818   3.818
  128    H    LEU  18           H        LEU  18 -18.324   2.495   2.495
  129    HA   LEU  18           HA       LEU  18 -15.833   3.695   3.695
  130   1HB   LEU  18          1HB       LEU  18 -15.657   5.141   5.141
  131   2HB   LEU  18          2HB       LEU  18 -17.350   5.104   5.104
  132    HG   LEU  18           HG       LEU  18 -16.059   3.630   3.630
  133   1HD1  LEU  18          1HD2      LEU  18 -15.867   6.112   6.112
  134   2HD1  LEU  18          2HD2      LEU  18 -17.619   6.297   6.297
  135   3HD1  LEU  18          3HD2      LEU  18 -17.009   5.459   5.459
  136   1HD2  LEU  18          1HD1      LEU  18 -19.058   4.097   4.097
  137   2HD2  LEU  18          2HD1      LEU  18 -18.212   2.530   2.530
  138   3HD2  LEU  18          3HD1      LEU  18 -18.407   3.421   3.421
  139    H    GLU  19           H        GLU  19 -16.117   0.790   0.790
  140    HA   GLU  19           HA       GLU  19 -13.414   0.436   0.436
  141   1HB   GLU  19          1HB       GLU  19 -15.318  -1.085  -1.085
  142   2HB   GLU  19          2HB       GLU  19 -15.306  -1.743  -1.743
  143   1HG   GLU  19          1HG       GLU  19 -12.914  -1.866  -1.866
  144   2HG   GLU  19          2HG       GLU  19 -14.150  -3.101  -3.101
  145    H    ASP  20           H        ASP  20 -15.027  -0.637  -0.637
  146    HA   ASP  20           HA       ASP  20 -12.550  -1.161  -1.161
  147   1HB   ASP  20          1HB       ASP  20 -14.806  -2.132  -2.132
  148   2HB   ASP  20          2HB       ASP  20 -15.357  -0.561  -0.561
  149    H    LYS  21           H        LYS  21 -14.632   1.849   1.849
  150    HA   LYS  21           HA       LYS  21 -13.042   3.389   3.389
  151   1HB   LYS  21          1HB       LYS  21 -15.354   3.812   3.812
  152   2HB   LYS  21          2HB       LYS  21 -14.488   4.390   4.390
  153   1HG   LYS  21          1HG       LYS  21 -13.467   6.242   6.242
  154   2HG   LYS  21          2HG       LYS  21 -14.242   5.567   5.567
  155   1HD   LYS  21          1HD       LYS  21 -15.716   7.296   7.296
  156   2HD   LYS  21          2HD       LYS  21 -16.513   5.817   5.817
  157   1HE   LYS  21          1HE       LYS  21 -16.852   7.445   7.445
  158   2HE   LYS  21          2HE       LYS  21 -15.775   6.214   6.214
  159   1HZ   LYS  21          2HZ       LYS  21 -14.923   8.880   8.880
  160   2HZ   LYS  21          3HZ       LYS  21 -15.017   8.441   8.441
  161   3HZ   LYS  21          1HZ       LYS  21 -13.897   7.735   7.735
  162    H    ALA  22           H        ALA  22 -12.570   3.200   3.200
  163    HA   ALA  22           HA       ALA  22 -10.166   4.906   4.906
  164   1HB   ALA  22          2HB       ALA  22 -11.573   4.522   4.522
  165   2HB   ALA  22          3HB       ALA  22 -11.130   2.793   2.793
  166   3HB   ALA  22          1HB       ALA  22  -9.889   4.039   4.039
  167    H    ARG  23           H        ARG  23 -10.522   1.350   1.350
  168    HA   ARG  23           HA       ARG  23  -7.692   0.614   0.614
  169   1HB   ARG  23          1HB       ARG  23  -9.581  -0.911  -0.911
  170   2HB   ARG  23          2HB       ARG  23 -10.132  -0.762  -0.762
  171   1HG   ARG  23          1HG       ARG  23  -8.026  -1.913  -1.913
  172   2HG   ARG  23          2HG       ARG  23  -7.383  -1.903  -1.903
  173   1HD   ARG  23          1HD       ARG  23  -8.229  -4.137  -4.137
  174   2HD   ARG  23          2HD       ARG  23  -9.232  -3.403  -3.403
  175    HE   ARG  23           HE       ARG  23 -10.382  -2.973  -2.973
  176   1HH1  ARG  23          1HH1      ARG  23 -10.132  -5.406  -5.406
  177   2HH1  ARG  23          2HH1      ARG  23 -11.706  -6.176  -6.176
  178   1HH2  ARG  23          1HH2      ARG  23 -12.178  -3.930  -3.930
  179   2HH2  ARG  23          2HH2      ARG  23 -12.784  -5.394  -5.394
  180    H    GLU  24           H        GLU  24  -9.845   1.369   1.369
  181    HA   GLU  24           HA       GLU  24  -7.802   1.176   1.176
  182   1HB   GLU  24          1HB       GLU  24 -10.452   2.737   2.737
  183   2HB   GLU  24          2HB       GLU  24  -9.441   2.673   2.673
  184   1HG   GLU  24          1HG       GLU  24  -9.702   0.234   0.234
  185   2HG   GLU  24          2HG       GLU  24 -10.564   0.111   0.111
  186    H    LEU  25           H        LEU  25  -8.822   3.986   3.986
  187    HA   LEU  25           HA       LEU  25  -7.111   5.930   5.930
  188   1HB   LEU  25          2HB       LEU  25  -8.836   6.062   6.062
  189   2HB   LEU  25          1HB       LEU  25  -7.530   7.203   7.203
  190    HG   LEU  25           HG       LEU  25  -8.332   8.056   8.056
  191   1HD1  LEU  25          1HD1      LEU  25  -9.652   6.074   6.074
  192   2HD1  LEU  25          2HD1      LEU  25 -10.886   6.359   6.359
  193   3HD1  LEU  25          3HD1      LEU  25 -10.595   7.572   7.572
  194   1HD2  LEU  25          3HD2      LEU  25  -8.967   9.178   9.178
  195   2HD2  LEU  25          1HD2      LEU  25 -10.256   9.347   9.347
  196   3HD2  LEU  25          2HD2      LEU  25 -10.432   8.172   8.172
  197    H    ILE  26           H        ILE  26  -6.682   4.319   4.319
  198    HA   ILE  26           HA       ILE  26  -4.022   5.438   5.438
  199    HB   ILE  26           HB       ILE  26  -5.522   3.106   3.106
  200   1HG1  ILE  26          1HG1      ILE  26  -4.734   5.858   5.858
  201   2HG1  ILE  26          2HG1      ILE  26  -6.232   5.623   5.623
  202   1HG2  ILE  26          3HG2      ILE  26  -2.778   4.168   4.168
  203   2HG2  ILE  26          1HG2      ILE  26  -3.819   3.072   3.072
  204   3HG2  ILE  26          2HG2      ILE  26  -3.136   2.530   2.530
  205   1HD1  ILE  26          2HD1      ILE  26  -6.980   3.866   3.866
  206   2HD1  ILE  26          3HD1      ILE  26  -5.511   4.178   4.178
  207   3HD1  ILE  26          1HD1      ILE  26  -6.711   5.471   5.471
  208    H    SER  27           H        SER  27  -4.890   2.189   2.189
  209    HA   SER  27           HA       SER  27  -2.143   1.283   1.283
  210   1HB   SER  27          1HB       SER  27  -4.671   0.455   0.455
  211   2HB   SER  27          2HB       SER  27  -3.110  -0.365  -0.365
  212    HG   SER  27           HG       SER  27  -4.496  -1.302  -1.302
  213    H    ARG  28           H        ARG  28  -4.174   3.259   3.259
  214    HA   ARG  28           HA       ARG  28  -2.262   3.330   3.330
  215   1HB   ARG  28          1HB       ARG  28  -4.755   3.654   3.654
  216   2HB   ARG  28          2HB       ARG  28  -4.648   5.148   5.148
  217   1HG   ARG  28          1HG       ARG  28  -3.161   6.124   6.124
  218   2HG   ARG  28          2HG       ARG  28  -3.273   4.597   4.597
  219   1HD   ARG  28          1HD       ARG  28  -4.836   6.104   6.104
  220   2HD   ARG  28          2HD       ARG  28  -5.785   4.877   4.877
  221    HE   ARG  28           HE       ARG  28  -5.406   7.794   7.794
  222   1HH1  ARG  28          1HH1      ARG  28  -7.255   4.775   4.775
  223   2HH1  ARG  28          2HH1      ARG  28  -8.508   5.657   5.657
  224   1HH2  ARG  28          1HH2      ARG  28  -6.886   8.683   8.683
  225   2HH2  ARG  28          2HH2      ARG  28  -8.311   7.718   7.718
  226    H    ILE  29           H        ILE  29  -2.938   5.412   5.412
  227    HA   ILE  29           HA       ILE  29  -0.967   7.544   7.544
  228    HB   ILE  29           HB       ILE  29  -2.754   7.000   7.000
  229   1HG1  ILE  29          1HG1      ILE  29  -3.895   7.862   7.862
  230   2HG1  ILE  29          2HG1      ILE  29  -3.975   8.971   8.971
  231   1HG2  ILE  29          2HG2      ILE  29  -0.798   9.353   9.353
  232   2HG2  ILE  29          3HG2      ILE  29  -2.188   9.229   9.229
  233   3HG2  ILE  29          1HG2      ILE  29  -0.861   8.086   8.086
  234   1HD1  ILE  29          3HD1      ILE  29  -2.174  10.413  10.413
  235   2HD1  ILE  29          1HD1      ILE  29  -2.132   9.281   9.281
  236   3HD1  ILE  29          2HD1      ILE  29  -3.613  10.200  10.200
  237    H    LYS  30           H        LYS  30  -0.840   5.870   5.870
  238    HA   LYS  30           HA       LYS  30   1.003   5.328   5.328
  239   1HB   LYS  30          1HB       LYS  30   2.077   4.004   4.004
  240   2HB   LYS  30          2HB       LYS  30   2.769   3.757   3.757
  241   1HG   LYS  30          1HG       LYS  30  -0.065   2.914   2.914
  242   2HG   LYS  30          2HG       LYS  30   1.343   1.881   1.881
  243   1HD   LYS  30          1HD       LYS  30   1.521   2.416   2.416
  244   2HD   LYS  30          2HD       LYS  30   0.054   3.393   3.393
  245   1HE   LYS  30          1HE       LYS  30  -1.275   1.379   1.379
  246   2HE   LYS  30          2HE       LYS  30   0.182   0.373   0.373
  247   1HZ   LYS  30          2HZ       LYS  30  -1.005   1.811   1.811
  248   2HZ   LYS  30          3HZ       LYS  30  -1.106   0.189   0.189
  249   3HZ   LYS  30          1HZ       LYS  30   0.356   0.875   0.875
  250    H    GLN  31           H        GLN  31   1.290   7.916   7.916
  251    HA   GLN  31           HA       GLN  31   4.224   8.472   8.472
  252   1HB   GLN  31          1HB       GLN  31   2.828   8.773   8.773
  253   2HB   GLN  31          2HB       GLN  31   4.379   9.514   9.514
  254   1HG   GLN  31          1HG       GLN  31   5.422   7.274   7.274
  255   2HG   GLN  31          2HG       GLN  31   3.901   6.476   6.476
  256   1HE2  GLN  31          2HE2      GLN  31   4.259   6.777   6.777
  257   2HE2  GLN  31          1HE2      GLN  31   3.161   6.353   6.353
  258    H    SER  32           H        SER  32   1.162   9.773   9.773
  259    HA   SER  32           HA       SER  32   2.061  12.597  12.597
  260   1HB   SER  32          1HB       SER  32   0.185  12.020  12.020
  261   2HB   SER  32          2HB       SER  32   0.514  13.619  13.619
  262    HG   SER  32           HG       SER  32   2.727  13.273  13.273
  263    H    GLU  33           H        GLU  33   1.218  12.744  12.744
  264    HA   GLU  33           HA       GLU  33  -0.259  13.093  13.093
  265   1HB   GLU  33          1HB       GLU  33  -1.685  14.245  14.245
  266   2HB   GLU  33          2HB       GLU  33  -2.697  12.810  12.810
  267   1HG   GLU  33          1HG       GLU  33  -3.230  13.199  13.199
  268   2HG   GLU  33          2HG       GLU  33  -2.143  14.585  14.585
  269    H    LEU  34           H        LEU  34  -0.347  10.141  10.141
  270    HA   LEU  34           HA       LEU  34  -1.342   8.704   8.704
  271   1HB   LEU  34          1HB       LEU  34  -1.684   7.510   7.510
  272   2HB   LEU  34          2HB       LEU  34   0.014   7.602   7.602
  273    HG   LEU  34           HG       LEU  34  -0.826   5.385   5.385
  274   1HD1  LEU  34          2HD1      LEU  34   1.654   5.965   5.965
  275   2HD1  LEU  34          3HD1      LEU  34   1.407   6.215   6.215
  276   3HD1  LEU  34          1HD1      LEU  34   1.095   4.623   4.623
  277   1HD2  LEU  34          3HD2      LEU  34  -2.405   6.061   6.061
  278   2HD2  LEU  34          1HD2      LEU  34  -1.269   4.798   4.798
  279   3HD2  LEU  34          2HD2      LEU  34  -1.020   6.483   6.483
  280    H    SER  35           H        SER  35   1.566   9.594   9.594
  281    HA   SER  35           HA       SER  35   3.410   8.794   8.794
  282   1HB   SER  35          1HB       SER  35   3.965   9.580   9.580
  283   2HB   SER  35          2HB       SER  35   5.220   9.281   9.281
  284    HG   SER  35           HG       SER  35   4.336   7.203   7.203
  285    H    ALA  36           H        ALA  36   4.468  11.460  11.460
  286    HA   ALA  36           HA       ALA  36   5.099  13.704  13.704
  287   1HB   ALA  36          2HB       ALA  36   2.716  14.219  14.219
  288   2HB   ALA  36          3HB       ALA  36   2.731  13.781  13.781
  289   3HB   ALA  36          1HB       ALA  36   3.714  15.144  15.144
  290    H    LYS  37           H        LYS  37   4.234  12.203  12.203
  291    HA   LYS  37           HA       LYS  37   6.900  12.936  12.936
  292   1HB   LYS  37          1HB       LYS  37   4.636  11.240  11.240
  293   2HB   LYS  37          2HB       LYS  37   6.112  11.674  11.674
  294   1HG   LYS  37          1HG       LYS  37   3.906  13.645  13.645
  295   2HG   LYS  37          2HG       LYS  37   4.189  13.000  13.000
  296   1HD   LYS  37          1HD       LYS  37   5.188  15.022  15.022
  297   2HD   LYS  37          2HD       LYS  37   6.609  14.111  14.111
  298   1HE   LYS  37          1HE       LYS  37   6.308  15.048  15.048
  299   2HE   LYS  37          2HE       LYS  37   4.895  15.941  15.941
  300   1HZ   LYS  37          3HZ       LYS  37   6.348  17.122  17.122
  301   2HZ   LYS  37          1HZ       LYS  37   7.667  16.277  16.277
  302   3HZ   LYS  37          2HZ       LYS  37   6.885  17.308  17.308
  303    H    MET  38           H        MET  38   5.336   9.966   9.966
  304    HA   MET  38           HA       MET  38   7.707   8.242   8.242
  305   1HB   MET  38          1HB       MET  38   5.569   7.929   7.929
  306   2HB   MET  38          2HB       MET  38   6.810   6.775   6.775
  307   1HG   MET  38          1HG       MET  38   4.446   7.550   7.550
  308   2HG   MET  38          2HG       MET  38   4.729   6.028   6.028
  309   1HE   MET  38          1HE       MET  38   6.593   4.216   4.216
  310   2HE   MET  38          3HE       MET  38   7.965   5.363   5.363
  311   3HE   MET  38          2HE       MET  38   7.721   4.403   4.403
  312    H    ARG  39           H        ARG  39   6.875  10.556  10.556
  313    HA   ARG  39           HA       ARG  39   9.102   9.931   9.931
  314   1HB   ARG  39          1HB       ARG  39   7.863  12.696  12.696
  315   2HB   ARG  39          2HB       ARG  39   8.962  12.320  12.320
  316   1HG   ARG  39          1HG       ARG  39   6.109  11.206  11.206
  317   2HG   ARG  39          2HG       ARG  39   6.632  12.520  12.520
  318   1HD   ARG  39          1HD       ARG  39   6.524  10.844  10.844
  319   2HD   ARG  39          2HD       ARG  39   8.247  10.805  10.805
  320    HE   ARG  39           HE       ARG  39   6.665   8.904   8.904
  321   1HH1  ARG  39          1HH1      ARG  39   8.121   9.241   9.241
  322   2HH1  ARG  39          2HH1      ARG  39   8.048   7.422   7.422
  323   1HH2  ARG  39          1HH2      ARG  39   6.627   6.853   6.853
  324   2HH2  ARG  39          2HH2      ARG  39   7.259   6.165   6.165
  325    H    GLU  40           H        GLU  40   9.012  12.245  12.245
  326    HA   GLU  40           HA       GLU  40  11.863  12.949  12.949
  327   1HB   GLU  40          1HB       GLU  40   9.905  13.024  13.024
  328   2HB   GLU  40          2HB       GLU  40  11.517  13.698  13.698
  329   1HG   GLU  40          1HG       GLU  40   9.279  14.660  14.660
  330   2HG   GLU  40          2HG       GLU  40   9.722  15.410  15.410
  331    H    TRP  41           H        TRP  41  10.134  10.359  10.359
  332    HA   TRP  41           HA       TRP  41  12.474   9.316   9.316
  333   1HB   TRP  41          1HB       TRP  41  10.095   8.931   8.931
  334   2HB   TRP  41          2HB       TRP  41   9.824   7.929   7.929
  335    HD1  TRP  41           HD1      TRP  41  11.361   7.838   7.838
  336    HE1  TRP  41           HE1      TRP  41  12.070   5.390   5.390
  337    HE3  TRP  41           HE3      TRP  41  10.852   5.771   5.771
  338    HZ2  TRP  41           HZ2      TRP  41  12.320   2.939   2.939
  339    HZ3  TRP  41           HZ3      TRP  41  11.373   3.354   3.354
  340    HH2  TRP  41           HH2      TRP  41  12.095   1.974   1.974
  341    H    PHE  42           H        PHE  42  11.205   8.500   8.500
  342    HA   PHE  42           HA       PHE  42  12.987   6.123   6.123
  343   1HB   PHE  42          1HB       PHE  42  11.442   7.785   7.785
  344   2HB   PHE  42          2HB       PHE  42  12.439   6.421   6.421
  345    HD1  PHE  42           HD1      PHE  42  11.917   4.149   4.149
  346    HD2  PHE  42           HD2      PHE  42   9.117   7.206   7.206
  347    HE1  PHE  42           HE1      PHE  42  10.057   2.576   2.576
  348    HE2  PHE  42           HE2      PHE  42   7.274   5.619   5.619
  349    HZ   PHE  42           HZ       PHE  42   7.733   3.304   3.304
  350    H    SER  43           H        SER  43  13.349   9.539   9.539
  351    HA   SER  43           HA       SER  43  15.991   9.415   9.415
  352   1HB   SER  43          1HB       SER  43  14.663  11.783  11.783
  353   2HB   SER  43          2HB       SER  43  16.186  11.861  11.861
  354    HG   SER  43           HG       SER  43  14.415  12.466  12.466
  355    H    GLU  44           H        GLU  44  14.950  10.067  10.067
  356    HA   GLU  44           HA       GLU  44  17.513  10.151  10.151
  357   1HB   GLU  44          1HB       GLU  44  15.131  10.716  10.716
  358   2HB   GLU  44          2HB       GLU  44  14.917   8.989   8.989
  359   1HG   GLU  44          1HG       GLU  44  17.017   9.080   9.080
  360   2HG   GLU  44          2HG       GLU  44  16.989  10.829  10.829
  361    H    THR  45           H        THR  45  15.540   7.251   7.251
  362    HA   THR  45           HA       THR  45  17.478   5.396   5.396
  363    HB   THR  45           HB       THR  45  14.924   4.788   4.788
  364    HG1  THR  45           HG1      THR  45  14.074   4.568   4.568
  365   1HG2  THR  45          3HG2      THR  45  16.511   2.974   2.974
  366   2HG2  THR  45          1HG2      THR  45  14.897   2.616   2.616
  367   3HG2  THR  45          2HG2      THR  45  16.298   2.708   2.708
  368    H    PHE  46           H        PHE  46  16.481   5.945   5.945
  369    HA   PHE  46           HA       PHE  46  18.476   3.958   3.958
  370   1HB   PHE  46          1HB       PHE  46  16.277   4.407   4.407
  371   2HB   PHE  46          2HB       PHE  46  16.926   5.904   5.904
  372    HD1  PHE  46           HD2      PHE  46  17.268   2.162   2.162
  373    HD2  PHE  46           HD1      PHE  46  18.305   5.784   5.784
  374    HE1  PHE  46           HE2      PHE  46  18.146   0.844   0.844
  375    HE2  PHE  46           HE1      PHE  46  19.157   4.441   4.441
  376    HZ   PHE  46           HZ       PHE  46  19.094   1.976   1.976
  377    H    GLN  47           H        GLN  47  20.150   4.462   4.462
  378    HA   GLN  47           HA       GLN  47  22.253   6.212   6.212
  379   1HB   GLN  47          1HB       GLN  47  22.709   7.808   7.808
  380   2HB   GLN  47          2HB       GLN  47  21.344   8.213   8.213
  381   1HG   GLN  47          1HG       GLN  47  19.722   7.626   7.626
  382   2HG   GLN  47          2HG       GLN  47  21.000   7.022   7.022
  383   1HE2  GLN  47          2HE2      GLN  47  20.441  11.088  11.088
  384   2HE2  GLN  47          1HE2      GLN  47  19.580   9.954   9.954
  385    H    LYS  48           H        LYS  48  21.091   4.942   4.942
  386    HA   LYS  48           HA       LYS  48  23.642   3.427   3.427
  387   1HB   LYS  48          1HB       LYS  48  20.906   3.323   3.323
  388   2HB   LYS  48          2HB       LYS  48  22.150   2.136   2.136
  389   1HG   LYS  48          1HG       LYS  48  22.442   3.615   3.615
  390   2HG   LYS  48          2HG       LYS  48  23.789   3.909   3.909
  391   1HD   LYS  48          1HD       LYS  48  23.060   6.007   6.007
  392   2HD   LYS  48          2HD       LYS  48  22.674   6.031   6.031
  393   1HE   LYS  48          1HE       LYS  48  20.245   5.586   5.586
  394   2HE   LYS  48          2HE       LYS  48  20.607   5.355   5.355
  395   1HZ   LYS  48          1HZ       LYS  48  21.352   7.674   7.674
  396   2HZ   LYS  48          2HZ       LYS  48  21.014   7.896   7.896
  397   3HZ   LYS  48          3HZ       LYS  48  19.792   7.583   7.583
  398    H    VAL  49           H        VAL  49  20.348   2.577   2.577
  399    HA   VAL  49           HA       VAL  49  20.971  -0.184  -0.184
  400    HB   VAL  49           HB       VAL  49  18.969   1.579   1.579
  401   1HG1  VAL  49          1HG1      VAL  49  19.318  -0.628  -0.628
  402   2HG1  VAL  49          2HG1      VAL  49  18.960  -1.479  -1.479
  403   3HG1  VAL  49          3HG1      VAL  49  17.692  -0.546  -0.546
  404   1HG2  VAL  49          2HG2      VAL  49  18.341   1.753   1.753
  405   2HG2  VAL  49          3HG2      VAL  49  17.142   0.790   0.790
  406   3HG2  VAL  49          1HG2      VAL  49  18.357  -0.020  -0.020
  407    H    LYS  50           H        LYS  50  21.271   2.969   2.969
  408    HA   LYS  50           HA       LYS  50  21.788   1.784   1.784
  409   1HB   LYS  50          1HB       LYS  50  20.983   4.117   4.117
  410   2HB   LYS  50          2HB       LYS  50  22.493   4.478   4.478
  411   1HG   LYS  50          1HG       LYS  50  23.668   4.091   4.091
  412   2HG   LYS  50          2HG       LYS  50  22.071   4.121   4.121
  413   1HD   LYS  50          1HD       LYS  50  23.132   6.317   6.317
  414   2HD   LYS  50          2HD       LYS  50  23.491   6.342   6.342
  415   1HE   LYS  50          1HE       LYS  50  20.619   6.439   6.439
  416   2HE   LYS  50          2HE       LYS  50  21.575   7.860   7.860
  417   1HZ   LYS  50          3HZ       LYS  50  21.663   7.119   7.119
  418   2HZ   LYS  50          1HZ       LYS  50  20.764   5.777   5.777
  419   3HZ   LYS  50          2HZ       LYS  50  20.099   7.281   7.281
  420    H    GLU  51           H        GLU  51  24.118   3.119   3.119
  421    HA   GLU  51           HA       GLU  51  26.606   2.213   2.213
  422   1HB   GLU  51          1HB       GLU  51  25.964   2.831   2.831
  423   2HB   GLU  51          2HB       GLU  51  27.581   2.485   2.485
  424   1HG   GLU  51          1HG       GLU  51  27.569   4.477   4.477
  425   2HG   GLU  51          2HG       GLU  51  25.910   4.858   4.858
  426    H    LYS  52           H        LYS  52  24.240   0.346   0.346
  427    HA   LYS  52           HA       LYS  52  26.143  -1.871  -1.871
  428   1HB   LYS  52          1HB       LYS  52  24.309  -1.229  -1.229
  429   2HB   LYS  52          2HB       LYS  52  23.096  -1.587  -1.587
  430   1HG   LYS  52          1HG       LYS  52  23.805  -4.019  -4.019
  431   2HG   LYS  52          2HG       LYS  52  25.016  -3.640  -3.640
  432   1HD   LYS  52          1HD       LYS  52  23.162  -2.860  -2.860
  433   2HD   LYS  52          2HD       LYS  52  21.978  -3.179  -3.179
  434   1HE   LYS  52          1HE       LYS  52  21.858  -5.040  -5.040
  435   2HE   LYS  52          2HE       LYS  52  22.598  -5.654  -5.654
  436   1HZ   LYS  52          2HZ       LYS  52  24.069  -4.892  -4.892
  437   2HZ   LYS  52          3HZ       LYS  52  23.758  -6.432  -6.432
  438   3HZ   LYS  52          1HZ       LYS  52  24.782  -5.466  -5.466
  439    H    LEU  53           H        LEU  53  23.194  -1.613  -1.613
  440    HA   LEU  53           HA       LEU  53  24.360  -3.496  -3.496
  441   1HB   LEU  53          1HB       LEU  53  22.967  -5.239  -5.239
  442   2HB   LEU  53          2HB       LEU  53  23.417  -4.958  -4.958
  443    HG   LEU  53           HG       LEU  53  20.825  -4.096  -4.096
  444   1HD1  LEU  53          2HD1      LEU  53  20.989  -6.585  -6.585
  445   2HD1  LEU  53          3HD1      LEU  53  21.287  -6.510  -6.510
  446   3HD1  LEU  53          1HD1      LEU  53  19.711  -6.010  -6.010
  447   1HD2  LEU  53          2HD2      LEU  53  21.483  -4.074  -4.074
  448   2HD2  LEU  53          3HD2      LEU  53  21.204  -2.649  -2.649
  449   3HD2  LEU  53          1HD2      LEU  53  19.869  -3.755  -3.755
  450    H    LYS  54           H        LYS  54  21.727  -1.279  -1.279
  451    HA   LYS  54           HA       LYS  54  20.359  -0.012  -0.012
  452   1HB   LYS  54          1HB       LYS  54  21.623  -1.094  -1.094
  453   2HB   LYS  54          2HB       LYS  54  20.331   0.084   0.084
  454   1HG   LYS  54          1HG       LYS  54  21.803   1.660   1.660
  455   2HG   LYS  54          2HG       LYS  54  23.141   0.523   0.523
  456   1HD   LYS  54          1HD       LYS  54  21.745   1.807   1.807
  457   2HD   LYS  54          2HD       LYS  54  23.196   2.432   2.432
  458   1HE   LYS  54          1HE       LYS  54  24.443   0.283   0.283
  459   2HE   LYS  54          2HE       LYS  54  23.003  -0.341  -0.341
  460   1HZ   LYS  54          3HZ       LYS  54  24.472   2.132   2.132
  461   2HZ   LYS  54          1HZ       LYS  54  24.530   0.678   0.678
  462   3HZ   LYS  54          2HZ       LYS  54  23.126   1.549   1.549
  463    H    ILE  55           H        ILE  55  20.513  -2.984  -2.984
  464    HA   ILE  55           HA       ILE  55  17.956  -3.923  -3.923
  465    HB   ILE  55           HB       ILE  55  17.151  -4.684  -4.684
  466   1HG1  ILE  55          1HG1      ILE  55  17.167  -2.860  -2.860
  467   2HG1  ILE  55          2HG1      ILE  55  18.285  -1.907  -1.907
  468   1HG2  ILE  55          2HG2      ILE  55  15.788  -3.500  -3.500
  469   2HG2  ILE  55          3HG2      ILE  55  16.485  -1.939  -1.939
  470   3HG2  ILE  55          1HG2      ILE  55  15.478  -2.872  -2.872
  471   1HD1  ILE  55          3HD1      ILE  55  18.956  -4.666  -4.666
  472   2HD1  ILE  55          1HD1      ILE  55  19.376  -3.085  -3.085
  473   3HD1  ILE  55          2HD1      ILE  55  20.098  -3.567  -3.567
  474    H    ASP  56           H        ASP  56  20.157  -5.062  -5.062
  475    HA   ASP  56           HA       ASP  56  20.212  -7.771  -7.771
  476   1HB   ASP  56          1HB       ASP  56  20.695  -7.116  -7.116
  477   2HB   ASP  56          2HB       ASP  56  20.989  -8.685  -8.685
  478    H    SER  57           H        SER  57  22.728  -6.742  -6.742
  479    HA   SER  57           HA       SER  57  24.989  -6.396  -6.396
  480   1HB   SER  57          1HB       SER  57  24.385  -4.414  -4.414
  481   2HB   SER  57          2HB       SER  57  24.516  -5.368  -5.368
  482    HG   SER  57           HG       SER  57  26.411  -4.247  -4.247

  Start of MODEL   11
    1   1H    THR   1          3H        THR   1 -23.307  -2.746  -2.746
    2   2H    THR   1          1H        THR   1 -24.852  -3.046  -3.046
    3   3H    THR   1          2H        THR   1 -24.104  -1.635  -1.635
    4    HA   THR   1           HA       THR   1 -24.027  -0.871  -0.871
    5    HB   THR   1           HB       THR   1 -25.819  -0.158  -0.158
    6    HG1  THR   1           HG1      THR   1 -25.749   0.421   0.421
    7   1HG2  THR   1          2HG2      THR   1 -26.951  -2.329  -2.329
    8   2HG2  THR   1          3HG2      THR   1 -27.630  -2.413  -2.413
    9   3HG2  THR   1          1HG2      THR   1 -28.073  -1.069  -1.069
   10    HA   PRO   2           HA       PRO   2 -24.265  -4.996  -4.996
   11   1HB   PRO   2          1HB       PRO   2 -21.845  -4.065  -4.065
   12   2HB   PRO   2          2HB       PRO   2 -21.979  -5.536  -5.536
   13   1HG   PRO   2          1HG       PRO   2 -20.464  -3.334  -3.334
   14   2HG   PRO   2          2HG       PRO   2 -21.114  -4.448  -4.448
   15   1HD   PRO   2          1HD       PRO   2 -22.084  -1.672  -1.672
   16   2HD   PRO   2          2HD       PRO   2 -22.205  -2.548  -2.548
   17    H    ASP   3           H        ASP   3 -25.777  -5.096  -5.096
   18    HA   ASP   3           HA       ASP   3 -26.286  -2.902  -2.902
   19   1HB   ASP   3          1HB       ASP   3 -27.949  -5.450  -5.450
   20   2HB   ASP   3          2HB       ASP   3 -28.423  -4.088  -4.088
   21    H    VAL   4           H        VAL   4 -26.580  -3.206  -3.206
   22    HA   VAL   4           HA       VAL   4 -24.918  -5.477  -5.477
   23    HB   VAL   4           HB       VAL   4 -24.758  -2.574  -2.574
   24   1HG1  VAL   4          1HG1      VAL   4 -23.400  -5.030  -5.030
   25   2HG1  VAL   4          2HG1      VAL   4 -23.032  -3.322  -3.322
   26   3HG1  VAL   4          3HG1      VAL   4 -24.619  -3.990  -3.990
   27   1HG2  VAL   4          2HG2      VAL   4 -23.418  -3.080  -3.080
   28   2HG2  VAL   4          3HG2      VAL   4 -22.366  -2.777  -2.777
   29   3HG2  VAL   4          1HG2      VAL   4 -22.635  -4.447  -4.447
   30    H    SER   5           H        SER   5 -26.746  -3.469  -3.469
   31    HA   SER   5           HA       SER   5 -28.727  -5.754  -5.754
   32   1HB   SER   5          1HB       SER   5 -27.640  -4.898  -4.898
   33   2HB   SER   5          2HB       SER   5 -28.311  -3.288  -3.288
   34    HG   SER   5           HG       SER   5 -29.770  -5.710  -5.710
   35    H    SER   6           H        SER   6 -29.126  -4.985  -4.985
   36    HA   SER   6           HA       SER   6 -30.117  -3.820  -3.820
   37   1HB   SER   6          1HB       SER   6 -32.321  -3.038  -3.038
   38   2HB   SER   6          2HB       SER   6 -32.376  -2.771  -2.771
   39    HG   SER   6           HG       SER   6 -32.051  -5.276  -5.276
   40    H    ALA   7           H        ALA   7 -27.866  -2.618  -2.618
   41    HA   ALA   7           HA       ALA   7 -28.379   0.180   0.180
   42   1HB   ALA   7          3HB       ALA   7 -26.376  -0.994  -0.994
   43   2HB   ALA   7          1HB       ALA   7 -25.709  -1.045  -1.045
   44   3HB   ALA   7          2HB       ALA   7 -25.946   0.511   0.511
   45    H    LEU   8           H        LEU   8 -26.798  -0.998  -0.998
   46    HA   LEU   8           HA       LEU   8 -27.380   1.585   1.585
   47   1HB   LEU   8          1HB       LEU   8 -25.841  -1.004  -1.004
   48   2HB   LEU   8          2HB       LEU   8 -26.474  -0.171  -0.171
   49    HG   LEU   8           HG       LEU   8 -25.289   1.960   1.960
   50   1HD1  LEU   8          3HD1      LEU   8 -23.956   0.221   0.221
   51   2HD1  LEU   8          1HD1      LEU   8 -23.422   1.850   1.850
   52   3HD1  LEU   8          2HD1      LEU   8 -25.005   1.634   1.634
   53   1HD2  LEU   8          3HD2      LEU   8 -24.275   0.381   0.381
   54   2HD2  LEU   8          1HD2      LEU   8 -23.018   1.185   1.185
   55   3HD2  LEU   8          2HD2      LEU   8 -23.456  -0.502  -0.502
   56    H    ASP   9           H        ASP   9 -29.485  -0.803  -0.803
   57    HA   ASP   9           HA       ASP   9 -30.974  -1.139  -1.139
   58   1HB   ASP   9          1HB       ASP   9 -31.177  -2.559  -2.559
   59   2HB   ASP   9          2HB       ASP   9 -32.130  -1.278  -1.278
   60    H    LYS  10           H        LYS  10 -31.620   1.163   1.163
   61    HA   LYS  10           HA       LYS  10 -33.634   2.751   2.751
   62   1HB   LYS  10          2HB       LYS  10 -33.459   2.645   2.645
   63   2HB   LYS  10          1HB       LYS  10 -31.943   3.539   3.539
   64   1HG   LYS  10          1HG       LYS  10 -33.177   5.507   5.507
   65   2HG   LYS  10          2HG       LYS  10 -34.681   4.583   4.583
   66   1HD   LYS  10          1HD       LYS  10 -34.495   4.440   4.440
   67   2HD   LYS  10          2HD       LYS  10 -32.977   5.345   5.345
   68   1HE   LYS  10          1HE       LYS  10 -34.194   7.330   7.330
   69   2HE   LYS  10          2HE       LYS  10 -35.716   6.426   6.426
   70   1HZ   LYS  10          2HZ       LYS  10 -35.482   6.308   6.308
   71   2HZ   LYS  10          3HZ       LYS  10 -34.062   7.151   7.151
   72   3HZ   LYS  10          1HZ       LYS  10 -35.473   7.878   7.878
   73    H    LEU  11           H        LEU  11 -30.156   3.507   3.507
   74    HA   LEU  11           HA       LEU  11 -30.077   5.479   5.479
   75   1HB   LEU  11          1HB       LEU  11 -27.954   4.782   4.782
   76   2HB   LEU  11          2HB       LEU  11 -27.716   5.907   5.907
   77    HG   LEU  11           HG       LEU  11 -29.842   6.296   6.296
   78   1HD1  LEU  11          3HD2      LEU  11 -27.533   6.391   6.391
   79   2HD1  LEU  11          1HD2      LEU  11 -27.055   7.600   7.600
   80   3HD1  LEU  11          2HD2      LEU  11 -28.285   7.996   7.996
   81   1HD2  LEU  11          3HD1      LEU  11 -28.834   8.270   8.270
   82   2HD2  LEU  11          1HD1      LEU  11 -30.455   7.538   7.538
   83   3HD2  LEU  11          2HD1      LEU  11 -29.946   8.674   8.674
   84    H    LYS  12           H        LYS  12 -30.613   3.541   3.541
   85    HA   LYS  12           HA       LYS  12 -28.269   1.831   1.831
   86   1HB   LYS  12          1HB       LYS  12 -29.648   0.695   0.695
   87   2HB   LYS  12          2HB       LYS  12 -30.340   0.720   0.720
   88   1HG   LYS  12          1HG       LYS  12 -31.924   2.590   2.590
   89   2HG   LYS  12          2HG       LYS  12 -31.305   2.436   2.436
   90   1HD   LYS  12          1HD       LYS  12 -32.562   0.130   0.130
   91   2HD   LYS  12          2HD       LYS  12 -33.476   1.201   1.201
   92   1HE   LYS  12          1HE       LYS  12 -32.098   0.433   0.433
   93   2HE   LYS  12          2HE       LYS  12 -31.191  -0.665  -0.665
   94   1HZ   LYS  12          3HZ       LYS  12 -34.131  -0.787  -0.787
   95   2HZ   LYS  12          1HZ       LYS  12 -33.002  -1.805  -1.805
   96   3HZ   LYS  12          2HZ       LYS  12 -33.282  -1.809  -1.809
   97    H    GLU  13           H        GLU  13 -29.880   4.652   4.652
   98    HA   GLU  13           HA       GLU  13 -28.027   4.824   4.824
   99   1HB   GLU  13          1HB       GLU  13 -28.873   6.977   6.977
  100   2HB   GLU  13          2HB       GLU  13 -30.220   5.947   5.947
  101   1HG   GLU  13          1HG       GLU  13 -29.037   8.169   8.169
  102   2HG   GLU  13          2HG       GLU  13 -30.500   8.266   8.266
  103    H    PHE  14           H        PHE  14 -27.933   6.274   6.274
  104    HA   PHE  14           HA       PHE  14 -25.014   7.104   7.104
  105   1HB   PHE  14          1HB       PHE  14 -26.825   7.639   7.639
  106   2HB   PHE  14          2HB       PHE  14 -25.144   8.084   8.084
  107    HD1  PHE  14           HD2      PHE  14 -24.405   9.713   9.713
  108    HD2  PHE  14           HD1      PHE  14 -28.518   9.143   9.143
  109    HE1  PHE  14           HE2      PHE  14 -25.013  11.838  11.838
  110    HE2  PHE  14           HE1      PHE  14 -29.104  11.267  11.267
  111    HZ   PHE  14           HZ       PHE  14 -27.359  12.618  12.618
  112    H    GLY  15           H        GLY  15 -24.517   4.932   4.932
  113   1HA   GLY  15          1HA       GLY  15 -23.581   3.210   3.210
  114   2HA   GLY  15          2HA       GLY  15 -25.210   2.732   2.732
  115    H    ASN  16           H        ASN  16 -25.408   2.754   2.754
  116    HA   ASN  16           HA       ASN  16 -23.551   0.853   0.853
  117   1HB   ASN  16          1HB       ASN  16 -26.093   1.301   1.301
  118   2HB   ASN  16          2HB       ASN  16 -25.564   2.672   2.672
  119   1HD2  ASN  16          1HD2      ASN  16 -24.660   0.543   0.543
  120   2HD2  ASN  16          2HD2      ASN  16 -24.830   2.238   2.238
  121    H    THR  17           H        THR  17 -23.870   4.429   4.429
  122    HA   THR  17           HA       THR  17 -21.799   4.702   4.702
  123    HB   THR  17           HB       THR  17 -23.511   6.401   6.401
  124    HG1  THR  17           HG1      THR  17 -20.861   7.321   7.321
  125   1HG2  THR  17          2HG2      THR  17 -23.518   6.664   6.664
  126   2HG2  THR  17          3HG2      THR  17 -21.967   7.524   7.524
  127   3HG2  THR  17          1HG2      THR  17 -23.422   8.191   8.191
  128    H    LEU  18           H        LEU  18 -21.474   5.272   5.272
  129    HA   LEU  18           HA       LEU  18 -18.465   5.052   5.052
  130   1HB   LEU  18          1HB       LEU  18 -18.245   5.684   5.684
  131   2HB   LEU  18          2HB       LEU  18 -19.227   6.844   6.844
  132    HG   LEU  18           HG       LEU  18 -20.639   4.643   4.643
  133   1HD1  LEU  18          3HD2      LEU  18 -18.857   5.478   5.478
  134   2HD1  LEU  18          1HD2      LEU  18 -19.375   7.161   7.161
  135   3HD1  LEU  18          2HD2      LEU  18 -20.459   6.005   6.005
  136   1HD2  LEU  18          1HD1      LEU  18 -21.340   7.623   7.623
  137   2HD2  LEU  18          2HD1      LEU  18 -22.097   6.229   6.229
  138   3HD2  LEU  18          3HD1      LEU  18 -22.322   6.471   6.471
  139    H    GLU  19           H        GLU  19 -20.241   2.675   2.675
  140    HA   GLU  19           HA       GLU  19 -18.541   0.736   0.736
  141   1HB   GLU  19          1HB       GLU  19 -20.865   0.037   0.037
  142   2HB   GLU  19          2HB       GLU  19 -20.808   0.162   0.162
  143   1HG   GLU  19          1HG       GLU  19 -20.705  -2.184  -2.184
  144   2HG   GLU  19          2HG       GLU  19 -19.276  -1.743  -1.743
  145    H    ASP  20           H        ASP  20 -19.320   1.326   1.326
  146    HA   ASP  20           HA       ASP  20 -16.764   0.291   0.291
  147   1HB   ASP  20          1HB       ASP  20 -18.926   0.459   0.459
  148   2HB   ASP  20          2HB       ASP  20 -18.705   2.195   2.195
  149    H    LYS  21           H        LYS  21 -17.761   3.708   3.708
  150    HA   LYS  21           HA       LYS  21 -15.198   4.908   4.908
  151   1HB   LYS  21          1HB       LYS  21 -17.374   5.996   5.996
  152   2HB   LYS  21          2HB       LYS  21 -15.927   6.881   6.881
  153   1HG   LYS  21          1HG       LYS  21 -16.519   6.773   6.773
  154   2HG   LYS  21          2HG       LYS  21 -18.009   5.948   5.948
  155   1HD   LYS  21          1HD       LYS  21 -18.612   8.246   8.246
  156   2HD   LYS  21          2HD       LYS  21 -18.713   7.927   7.927
  157   1HE   LYS  21          1HE       LYS  21 -17.711  10.114  10.114
  158   2HE   LYS  21          2HE       LYS  21 -16.422   9.066   9.066
  159   1HZ   LYS  21          2HZ       LYS  21 -16.842   9.891   9.891
  160   2HZ   LYS  21          3HZ       LYS  21 -15.683  10.474  10.474
  161   3HZ   LYS  21          1HZ       LYS  21 -15.627   8.902   8.902
  162    H    ALA  22           H        ALA  22 -16.243   3.676   3.676
  163    HA   ALA  22           HA       ALA  22 -13.819   4.547   4.547
  164   1HB   ALA  22          2HB       ALA  22 -15.865   3.953   3.953
  165   2HB   ALA  22          3HB       ALA  22 -15.741   2.252   2.252
  166   3HB   ALA  22          1HB       ALA  22 -14.502   2.955   2.955
  167    H    ARG  23           H        ARG  23 -14.606   1.314   1.314
  168    HA   ARG  23           HA       ARG  23 -12.026   0.049   0.049
  169   1HB   ARG  23          1HB       ARG  23 -14.044  -0.402  -0.402
  170   2HB   ARG  23          2HB       ARG  23 -12.666  -1.441  -1.441
  171   1HG   ARG  23          1HG       ARG  23 -13.528  -2.062  -2.062
  172   2HG   ARG  23          2HG       ARG  23 -14.914  -1.001  -1.001
  173   1HD   ARG  23          1HD       ARG  23 -14.308  -3.420  -3.420
  174   2HD   ARG  23          2HD       ARG  23 -15.405  -3.442  -3.442
  175    HE   ARG  23           HE       ARG  23 -16.353  -1.317  -1.317
  176   1HH1  ARG  23          1HH1      ARG  23 -16.046  -4.855  -4.855
  177   2HH1  ARG  23          2HH1      ARG  23 -17.435  -4.941  -4.941
  178   1HH2  ARG  23          1HH2      ARG  23 -17.908  -1.532  -1.532
  179   2HH2  ARG  23          2HH2      ARG  23 -18.416  -3.185  -3.185
  180    H    GLU  24           H        GLU  24 -13.105   1.941   1.941
  181    HA   GLU  24           HA       GLU  24 -10.583   1.906   1.906
  182   1HB   GLU  24          1HB       GLU  24 -12.886   2.537   2.537
  183   2HB   GLU  24          2HB       GLU  24 -12.817   4.039   4.039
  184   1HG   GLU  24          1HG       GLU  24 -10.782   4.739   4.739
  185   2HG   GLU  24          2HG       GLU  24 -10.866   3.213   3.213
  186    H    LEU  25           H        LEU  25 -11.691   4.084   4.084
  187    HA   LEU  25           HA       LEU  25  -9.372   5.897   5.897
  188   1HB   LEU  25          1HB       LEU  25 -11.706   6.355   6.355
  189   2HB   LEU  25          2HB       LEU  25 -11.188   5.373   5.373
  190    HG   LEU  25           HG       LEU  25  -9.226   7.048   7.048
  191   1HD1  LEU  25          3HD1      LEU  25 -10.839   8.726   8.726
  192   2HD1  LEU  25          1HD1      LEU  25  -9.512   9.339   9.339
  193   3HD1  LEU  25          2HD1      LEU  25  -9.180   8.116   8.116
  194   1HD2  LEU  25          1HD2      LEU  25 -11.274   7.097   7.097
  195   2HD2  LEU  25          2HD2      LEU  25 -10.669   8.738   8.738
  196   3HD2  LEU  25          3HD2      LEU  25 -12.100   8.150   8.150
  197    H    ILE  26           H        ILE  26  -9.854   2.800   2.800
  198    HA   ILE  26           HA       ILE  26  -7.300   2.925   2.925
  199    HB   ILE  26           HB       ILE  26  -8.665   0.327   0.327
  200   1HG1  ILE  26          1HG1      ILE  26 -10.465   1.344   1.344
  201   2HG1  ILE  26          2HG1      ILE  26  -9.808   0.159   0.159
  202   1HG2  ILE  26          2HG2      ILE  26  -6.377  -0.011  -0.011
  203   2HG2  ILE  26          3HG2      ILE  26  -6.781   0.883   0.883
  204   3HG2  ILE  26          1HG2      ILE  26  -7.569  -0.675  -0.675
  205   1HD1  ILE  26          2HD1      ILE  26  -8.692   2.012   2.012
  206   2HD1  ILE  26          3HD1      ILE  26  -9.407   3.218   3.218
  207   3HD1  ILE  26          1HD1      ILE  26 -10.461   2.193   2.193
  208    H    SER  27           H        SER  27  -8.162   1.502   1.502
  209    HA   SER  27           HA       SER  27  -5.494   0.688   0.688
  210   1HB   SER  27          1HB       SER  27  -7.793   1.704   1.704
  211   2HB   SER  27          2HB       SER  27  -6.338   0.890   0.890
  212    HG   SER  27           HG       SER  27  -8.060  -0.524  -0.524
  213    H    ARG  28           H        ARG  28  -6.923   3.943   3.943
  214    HA   ARG  28           HA       ARG  28  -4.576   5.249   5.249
  215   1HB   ARG  28          1HB       ARG  28  -6.947   6.135   6.135
  216   2HB   ARG  28          2HB       ARG  28  -6.845   6.502   6.502
  217   1HG   ARG  28          1HG       ARG  28  -4.953   7.685   7.685
  218   2HG   ARG  28          2HG       ARG  28  -6.511   8.383   8.383
  219   1HD   ARG  28          1HD       ARG  28  -4.176   8.171   8.171
  220   2HD   ARG  28          2HD       ARG  28  -4.628   9.595   9.595
  221    HE   ARG  28           HE       ARG  28  -7.015   8.938   8.938
  222   1HH1  ARG  28          1HH1      ARG  28  -3.681   9.756   9.756
  223   2HH1  ARG  28          2HH1      ARG  28  -4.288  10.518  10.518
  224   1HH2  ARG  28          1HH2      ARG  28  -7.591   9.833   9.833
  225   2HH2  ARG  28          2HH2      ARG  28  -6.350  10.558  10.558
  226    H    ILE  29           H        ILE  29  -5.663   4.879   4.879
  227    HA   ILE  29           HA       ILE  29  -3.409   6.352   6.352
  228    HB   ILE  29           HB       ILE  29  -5.605   4.614   4.614
  229   1HG1  ILE  29          1HG1      ILE  29  -5.071   7.643   7.643
  230   2HG1  ILE  29          2HG1      ILE  29  -6.102   6.974   6.974
  231   1HG2  ILE  29          2HG2      ILE  29  -3.464   6.072   6.072
  232   2HG2  ILE  29          3HG2      ILE  29  -4.957   5.364   5.364
  233   3HG2  ILE  29          1HG2      ILE  29  -3.743   4.316   4.316
  234   1HD1  ILE  29          2HD1      ILE  29  -7.642   5.983   5.983
  235   2HD1  ILE  29          3HD1      ILE  29  -6.674   6.808   6.808
  236   3HD1  ILE  29          1HD1      ILE  29  -7.532   7.760   7.760
  237    H    LYS  30           H        LYS  30  -4.003   2.905   2.905
  238    HA   LYS  30           HA       LYS  30  -2.562   1.139   1.139
  239   1HB   LYS  30          1HB       LYS  30  -0.752   2.258   2.258
  240   2HB   LYS  30          2HB       LYS  30  -0.585   0.687   0.687
  241   1HG   LYS  30          1HG       LYS  30  -2.959   1.642   1.642
  242   2HG   LYS  30          2HG       LYS  30  -1.679   0.572   0.572
  243   1HD   LYS  30          1HD       LYS  30  -3.815  -0.080  -0.080
  244   2HD   LYS  30          2HD       LYS  30  -3.810  -0.615  -0.615
  245   1HE   LYS  30          1HE       LYS  30  -1.666  -1.926  -1.926
  246   2HE   LYS  30          2HE       LYS  30  -1.683  -1.419  -1.419
  247   1HZ   LYS  30          1HZ       LYS  30  -3.827  -3.005  -3.005
  248   2HZ   LYS  30          2HZ       LYS  30  -2.694  -3.592  -3.592
  249   3HZ   LYS  30          3HZ       LYS  30  -3.841  -2.528  -2.528
  250    H    GLN  31           H        GLN  31  -2.423   2.212   2.212
  251    HA   GLN  31           HA       GLN  31  -1.304   2.556   2.556
  252   1HB   GLN  31          1HB       GLN  31   0.623   1.063   1.063
  253   2HB   GLN  31          2HB       GLN  31   1.490   2.587   2.587
  254   1HG   GLN  31          1HG       GLN  31   0.938   2.744   2.744
  255   2HG   GLN  31          2HG       GLN  31   0.324   1.111   1.111
  256   1HE2  GLN  31          2HE2      GLN  31   3.641  -0.329  -0.329
  257   2HE2  GLN  31          1HE2      GLN  31   1.826  -0.588  -0.588
  258    H    SER  32           H        SER  32  -0.839   4.720   4.720
  259    HA   SER  32           HA       SER  32   0.774   6.771   6.771
  260   1HB   SER  32          1HB       SER  32   0.341   8.210   8.210
  261   2HB   SER  32          2HB       SER  32   0.626   6.576   6.576
  262    HG   SER  32           HG       SER  32  -1.658   6.322   6.322
  263    H    GLU  33           H        GLU  33   0.121   9.007   9.007
  264    HA   GLU  33           HA       GLU  33  -0.787  10.504  10.504
  265   1HB   GLU  33          1HB       GLU  33  -3.036  11.281  11.281
  266   2HB   GLU  33          2HB       GLU  33  -2.414  10.909  10.909
  267   1HG   GLU  33          1HG       GLU  33  -4.744  10.332  10.332
  268   2HG   GLU  33          2HG       GLU  33  -3.828   8.867   8.867
  269    H    LEU  34           H        LEU  34  -1.607   7.463   7.463
  270    HA   LEU  34           HA       LEU  34  -1.296   8.305   8.305
  271   1HB   LEU  34          1HB       LEU  34  -2.705   6.229   6.229
  272   2HB   LEU  34          2HB       LEU  34  -1.366   5.490   5.490
  273    HG   LEU  34           HG       LEU  34   0.026   5.785   5.785
  274   1HD1  LEU  34          2HD1      LEU  34  -1.484   7.393   7.393
  275   2HD1  LEU  34          3HD1      LEU  34  -2.788   6.180   6.180
  276   3HD1  LEU  34          1HD1      LEU  34  -1.280   5.902   5.902
  277   1HD2  LEU  34          3HD2      LEU  34  -0.741   3.591   3.591
  278   2HD2  LEU  34          1HD2      LEU  34  -0.829   3.679   3.679
  279   3HD2  LEU  34          2HD2      LEU  34  -2.323   3.807   3.807
  280    H    SER  35           H        SER  35   0.268   6.778   6.778
  281    HA   SER  35           HA       SER  35   3.057   7.166   7.166
  282   1HB   SER  35          1HB       SER  35   2.169   5.657   5.657
  283   2HB   SER  35          2HB       SER  35   3.831   5.883   5.883
  284    HG   SER  35           HG       SER  35   3.291   4.840   4.840
  285    H    ALA  36           H        ALA  36   3.099   7.524   7.524
  286    HA   ALA  36           HA       ALA  36   4.063   9.364   9.364
  287   1HB   ALA  36          2HB       ALA  36   1.835  10.400  10.400
  288   2HB   ALA  36          3HB       ALA  36   2.316  11.262  11.262
  289   3HB   ALA  36          1HB       ALA  36   3.148  11.597  11.597
  290    H    LYS  37           H        LYS  37   3.990  10.589  10.589
  291    HA   LYS  37           HA       LYS  37   6.857  11.404  11.404
  292   1HB   LYS  37          1HB       LYS  37   6.566  11.839  11.839
  293   2HB   LYS  37          2HB       LYS  37   5.327  12.619  12.619
  294   1HG   LYS  37          1HG       LYS  37   3.696  10.739  10.739
  295   2HG   LYS  37          2HG       LYS  37   4.947  10.068  10.068
  296   1HD   LYS  37          1HD       LYS  37   5.016  12.216  12.216
  297   2HD   LYS  37          2HD       LYS  37   3.775  12.917  12.917
  298   1HE   LYS  37          1HE       LYS  37   3.387  10.382  10.382
  299   2HE   LYS  37          2HE       LYS  37   2.945  12.015  12.015
  300   1HZ   LYS  37          3HZ       LYS  37   1.375  12.114  12.114
  301   2HZ   LYS  37          1HZ       LYS  37   1.778  10.584  10.584
  302   3HZ   LYS  37          2HZ       LYS  37   1.041  10.829  10.829
  303    H    MET  38           H        MET  38   5.050   8.478   8.478
  304    HA   MET  38           HA       MET  38   7.499   7.103   7.103
  305   1HB   MET  38          1HB       MET  38   4.894   5.715   5.715
  306   2HB   MET  38          2HB       MET  38   6.239   5.014   5.014
  307   1HG   MET  38          1HG       MET  38   4.325   7.145   7.145
  308   2HG   MET  38          2HG       MET  38   4.471   5.471   5.471
  309   1HE   MET  38          1HE       MET  38   6.527   4.444   4.444
  310   2HE   MET  38          3HE       MET  38   7.784   4.972   4.972
  311   3HE   MET  38          2HE       MET  38   7.935   5.394   5.394
  312    H    ARG  39           H        ARG  39   5.712   6.973   6.973
  313    HA   ARG  39           HA       ARG  39   7.878   5.192   5.192
  314   1HB   ARG  39          1HB       ARG  39   5.295   6.340   6.340
  315   2HB   ARG  39          2HB       ARG  39   6.537   5.545   5.545
  316   1HG   ARG  39          1HG       ARG  39   6.347   3.466   3.466
  317   2HG   ARG  39          2HG       ARG  39   5.035   4.205   4.205
  318   1HD   ARG  39          1HD       ARG  39   3.631   4.388   4.388
  319   2HD   ARG  39          2HD       ARG  39   4.979   3.789   3.789
  320    HE   ARG  39           HE       ARG  39   4.237   1.890   1.890
  321   1HH1  ARG  39          1HH1      ARG  39   3.423   2.857   2.857
  322   2HH1  ARG  39          2HH1      ARG  39   2.674   1.211   1.211
  323   1HH2  ARG  39          1HH2      ARG  39   3.360   0.054   0.054
  324   2HH2  ARG  39          2HH2      ARG  39   2.641  -0.267  -0.267
  325    H    GLU  40           H        GLU  40   9.546   6.484   6.484
  326    HA   GLU  40           HA       GLU  40  10.757   8.516   8.516
  327   1HB   GLU  40          1HB       GLU  40   8.724  10.021  10.021
  328   2HB   GLU  40          2HB       GLU  40   9.168   9.969   9.969
  329   1HG   GLU  40          1HG       GLU  40  11.536  10.838  10.838
  330   2HG   GLU  40          2HG       GLU  40  10.772  11.097  11.097
  331    H    TRP  41           H        TRP  41   9.858   8.300   8.300
  332    HA   TRP  41           HA       TRP  41  12.556   8.111   8.111
  333   1HB   TRP  41          1HB       TRP  41  10.484   8.756   8.756
  334   2HB   TRP  41          2HB       TRP  41   9.838   7.142   7.142
  335    HD1  TRP  41           HD1      TRP  41  12.245   9.223   9.223
  336    HE1  TRP  41           HE1      TRP  41  13.092   7.868   7.868
  337    HE3  TRP  41           HE3      TRP  41  10.583   4.656   4.656
  338    HZ2  TRP  41           HZ2      TRP  41  12.938   5.109   5.109
  339    HZ3  TRP  41           HZ3      TRP  41  10.957   2.685   2.685
  340    HH2  TRP  41           HH2      TRP  41  12.120   2.910   2.910
  341    H    PHE  42           H        PHE  42  10.455   5.550   5.550
  342    HA   PHE  42           HA       PHE  42  11.972   3.255   3.255
  343   1HB   PHE  42          1HB       PHE  42  10.100   3.239   3.239
  344   2HB   PHE  42          2HB       PHE  42  10.832   1.813   1.813
  345    HD1  PHE  42           HD2      PHE  42  10.425   1.819   1.819
  346    HD2  PHE  42           HD1      PHE  42   7.768   3.099   3.099
  347    HE1  PHE  42           HE2      PHE  42   8.495   1.463   1.463
  348    HE2  PHE  42           HE1      PHE  42   5.855   2.723   2.723
  349    HZ   PHE  42           HZ       PHE  42   6.207   1.911   1.911
  350    H    SER  43           H        SER  43  12.204   5.081   5.081
  351    HA   SER  43           HA       SER  43  14.353   3.424   3.424
  352   1HB   SER  43          1HB       SER  43  12.788   4.797   4.797
  353   2HB   SER  43          2HB       SER  43  13.442   6.284   6.284
  354    HG   SER  43           HG       SER  43  14.410   5.711   5.711
  355    H    GLU  44           H        GLU  44  14.331   6.593   6.593
  356    HA   GLU  44           HA       GLU  44  17.234   6.913   6.913
  357   1HB   GLU  44          1HB       GLU  44  15.556   8.773   8.773
  358   2HB   GLU  44          2HB       GLU  44  15.183   8.183   8.183
  359   1HG   GLU  44          1HG       GLU  44  16.672  10.101  10.101
  360   2HG   GLU  44          2HG       GLU  44  17.523   8.696   8.696
  361    H    THR  45           H        THR  45  15.141   5.424   5.424
  362    HA   THR  45           HA       THR  45  17.300   4.837   4.837
  363    HB   THR  45           HB       THR  45  14.583   3.499   3.499
  364    HG1  THR  45           HG1      THR  45  15.515   5.599   5.599
  365   1HG2  THR  45          2HG2      THR  45  16.483   3.541   3.541
  366   2HG2  THR  45          3HG2      THR  45  14.809   2.931   2.931
  367   3HG2  THR  45          1HG2      THR  45  16.054   2.098   2.098
  368    H    PHE  46           H        PHE  46  15.944   2.904   2.904
  369    HA   PHE  46           HA       PHE  46  17.689   0.566   0.566
  370   1HB   PHE  46          1HB       PHE  46  15.609   0.600   0.600
  371   2HB   PHE  46          2HB       PHE  46  16.331   1.719   1.719
  372    HD1  PHE  46           HD1      PHE  46  16.714  -1.769  -1.769
  373    HD2  PHE  46           HD2      PHE  46  17.610   0.846   0.846
  374    HE1  PHE  46           HE1      PHE  46  17.515  -3.688  -3.688
  375    HE2  PHE  46           HE2      PHE  46  18.395  -1.087  -1.087
  376    HZ   PHE  46           HZ       PHE  46  18.353  -3.352  -3.352
  377    H    GLN  47           H        GLN  47  18.136   3.488   3.488
  378    HA   GLN  47           HA       GLN  47  20.852   2.944   2.944
  379   1HB   GLN  47          1HB       GLN  47  19.439   5.642   5.642
  380   2HB   GLN  47          2HB       GLN  47  21.015   5.501   5.501
  381   1HG   GLN  47          1HG       GLN  47  20.092   4.187   4.187
  382   2HG   GLN  47          2HG       GLN  47  18.493   4.169   4.169
  383   1HE2  GLN  47          2HE2      GLN  47  17.738   7.536   7.536
  384   2HE2  GLN  47          1HE2      GLN  47  17.242   6.112   6.112
  385    H    LYS  48           H        LYS  48  19.822   4.440   4.440
  386    HA   LYS  48           HA       LYS  48  22.458   5.206   5.206
  387   1HB   LYS  48          1HB       LYS  48  20.255   5.972   5.972
  388   2HB   LYS  48          2HB       LYS  48  19.935   4.359   4.359
  389   1HG   LYS  48          1HG       LYS  48  21.920   4.570   4.570
  390   2HG   LYS  48          2HG       LYS  48  22.304   6.134   6.134
  391   1HD   LYS  48          1HD       LYS  48  21.183   6.578   6.578
  392   2HD   LYS  48          2HD       LYS  48  20.073   7.043   7.043
  393   1HE   LYS  48          1HE       LYS  48  18.791   4.854   4.854
  394   2HE   LYS  48          2HE       LYS  48  19.930   4.385   4.385
  395   1HZ   LYS  48          1HZ       LYS  48  19.227   6.353   6.353
  396   2HZ   LYS  48          2HZ       LYS  48  18.169   6.790   6.790
  397   3HZ   LYS  48          3HZ       LYS  48  17.933   5.388   5.388
  398    H    VAL  49           H        VAL  49  20.747   2.042   2.042
  399    HA   VAL  49           HA       VAL  49  22.827   0.603   0.603
  400    HB   VAL  49           HB       VAL  49  21.132  -0.737  -0.737
  401   1HG1  VAL  49          1HG1      VAL  49  22.910  -2.184  -2.184
  402   2HG1  VAL  49          2HG1      VAL  49  22.313  -1.871  -1.871
  403   3HG1  VAL  49          3HG1      VAL  49  21.314  -2.774  -2.774
  404   1HG2  VAL  49          2HG2      VAL  49  20.210  -0.207  -0.207
  405   2HG2  VAL  49          3HG2      VAL  49  19.457   0.431   0.431
  406   3HG2  VAL  49          1HG2      VAL  49  19.394  -1.301  -1.301
  407    H    LYS  50           H        LYS  50  22.328   0.977   0.977
  408    HA   LYS  50           HA       LYS  50  24.592  -0.628  -0.628
  409   1HB   LYS  50          1HB       LYS  50  23.090   1.506   1.506
  410   2HB   LYS  50          2HB       LYS  50  24.513   0.734   0.734
  411   1HG   LYS  50          1HG       LYS  50  22.861  -0.449  -0.449
  412   2HG   LYS  50          2HG       LYS  50  23.449  -1.552  -1.552
  413   1HD   LYS  50          1HD       LYS  50  21.010   0.207   0.207
  414   2HD   LYS  50          2HD       LYS  50  20.815  -1.086  -1.086
  415   1HE   LYS  50          1HE       LYS  50  21.919  -1.622  -1.622
  416   2HE   LYS  50          2HE       LYS  50  20.195  -1.616  -1.616
  417   1HZ   LYS  50          1HZ       LYS  50  20.593  -3.387  -3.387
  418   2HZ   LYS  50          2HZ       LYS  50  22.209  -3.394  -3.394
  419   3HZ   LYS  50          3HZ       LYS  50  21.118  -3.836  -3.836
  420    H    GLU  51           H        GLU  51  24.406   2.906   2.906
  421    HA   GLU  51           HA       GLU  51  27.172   3.640   3.640
  422   1HB   GLU  51          1HB       GLU  51  25.070   4.921   4.921
  423   2HB   GLU  51          2HB       GLU  51  26.620   5.668   5.668
  424   1HG   GLU  51          1HG       GLU  51  26.130   5.932   5.932
  425   2HG   GLU  51          2HG       GLU  51  24.645   5.003   5.003
  426    H    LYS  52           H        LYS  52  25.833   2.189   2.189
  427    HA   LYS  52           HA       LYS  52  28.271   2.858   2.858
  428   1HB   LYS  52          1HB       LYS  52  25.672   1.376   1.376
  429   2HB   LYS  52          2HB       LYS  52  27.043   1.466   1.466
  430   1HG   LYS  52          1HG       LYS  52  26.943   3.928   3.928
  431   2HG   LYS  52          2HG       LYS  52  25.664   3.986   3.986
  432   1HD   LYS  52          1HD       LYS  52  24.134   2.682   2.682
  433   2HD   LYS  52          2HD       LYS  52  25.376   2.595   2.595
  434   1HE   LYS  52          1HE       LYS  52  24.167   5.240   5.240
  435   2HE   LYS  52          2HE       LYS  52  23.574   4.386   4.386
  436   1HZ   LYS  52          1HZ       LYS  52  25.750   4.691   4.691
  437   2HZ   LYS  52          2HZ       LYS  52  26.323   5.494   5.494
  438   3HZ   LYS  52          3HZ       LYS  52  25.096   6.145   6.145
  439    H    LEU  53           H        LEU  53  26.598  -0.241  -0.241
  440    HA   LEU  53           HA       LEU  53  29.280  -1.614  -1.614
  441   1HB   LEU  53          1HB       LEU  53  28.367  -3.437  -3.437
  442   2HB   LEU  53          2HB       LEU  53  28.822  -1.870  -1.870
  443    HG   LEU  53           HG       LEU  53  26.562  -1.140  -1.140
  444   1HD1  LEU  53          1HD2      LEU  53  25.667  -3.970  -3.970
  445   2HD1  LEU  53          2HD2      LEU  53  24.613  -2.829  -2.829
  446   3HD1  LEU  53          3HD2      LEU  53  25.205  -2.407  -2.407
  447   1HD2  LEU  53          3HD1      LEU  53  27.757  -2.187  -2.187
  448   2HD2  LEU  53          1HD1      LEU  53  26.018  -2.517  -2.517
  449   3HD2  LEU  53          2HD1      LEU  53  27.129  -3.793  -3.793
  450    H    LYS  54           H        LYS  54  25.934  -2.042  -2.042
  451    HA   LYS  54           HA       LYS  54  26.533  -4.771  -4.771
  452   1HB   LYS  54          1HB       LYS  54  24.351  -4.044  -4.044
  453   2HB   LYS  54          2HB       LYS  54  23.955  -3.189  -3.189
  454   1HG   LYS  54          1HG       LYS  54  23.937  -5.266  -5.266
  455   2HG   LYS  54          2HG       LYS  54  24.661  -6.201  -6.201
  456   1HD   LYS  54          1HD       LYS  54  21.879  -4.873  -4.873
  457   2HD   LYS  54          2HD       LYS  54  22.127  -6.435  -6.435
  458   1HE   LYS  54          1HE       LYS  54  21.485  -6.975  -6.975
  459   2HE   LYS  54          2HE       LYS  54  23.213  -7.300  -7.300
  460   1HZ   LYS  54          2HZ       LYS  54  21.926  -4.864  -4.864
  461   2HZ   LYS  54          3HZ       LYS  54  22.557  -6.127  -6.127
  462   3HZ   LYS  54          1HZ       LYS  54  23.554  -5.145  -5.145
  463    H    ILE  55           H        ILE  55  25.570  -1.898  -1.898
  464    HA   ILE  55           HA       ILE  55  26.319  -1.127  -1.127
  465    HB   ILE  55           HB       ILE  55  28.505  -3.224  -3.224
  466   1HG1  ILE  55          1HG1      ILE  55  28.591  -0.196  -0.196
  467   2HG1  ILE  55          2HG1      ILE  55  28.491  -1.436  -1.436
  468   1HG2  ILE  55          2HG2      ILE  55  28.048  -2.490  -2.490
  469   2HG2  ILE  55          3HG2      ILE  55  28.158  -0.782  -0.782
  470   3HG2  ILE  55          1HG2      ILE  55  29.588  -1.843  -1.843
  471   1HD1  ILE  55          2HD1      ILE  55  30.674  -2.430  -2.430
  472   2HD1  ILE  55          3HD1      ILE  55  30.850  -1.087  -1.087
  473   3HD1  ILE  55          1HD1      ILE  55  30.793  -0.744  -0.744
  474    H    ASP  56           H        ASP  56  25.095  -1.232  -1.232
  475    HA   ASP  56           HA       ASP  56  23.759  -1.926  -1.926
  476   1HB   ASP  56          1HB       ASP  56  25.777  -3.191  -3.191
  477   2HB   ASP  56          2HB       ASP  56  25.152  -4.638  -4.638
  478    H    SER  57           H        SER  57  23.607  -5.121  -5.121
  479    HA   SER  57           HA       SER  57  20.749  -4.556  -4.556
  480   1HB   SER  57          1HB       SER  57  19.825  -6.468  -6.468
  481   2HB   SER  57          2HB       SER  57  20.498  -5.263  -5.263
  482    HG   SER  57           HG       SER  57  21.782  -7.647  -7.647

  Start of MODEL   12
    1   1H    THR   1          3H        THR   1 -26.627  -8.548  -8.548
    2   2H    THR   1          1H        THR   1 -27.201  -7.571  -7.571
    3   3H    THR   1          2H        THR   1 -27.737  -7.375  -7.375
    4    HA   THR   1           HA       THR   1 -28.733  -9.550  -9.550
    5    HB   THR   1           HB       THR   1 -30.653  -9.077  -9.077
    6    HG1  THR   1           HG1      THR   1 -30.480  -7.402  -7.402
    7   1HG2  THR   1          2HG2      THR   1 -30.760  -7.466  -7.466
    8   2HG2  THR   1          3HG2      THR   1 -29.830  -6.275  -6.275
    9   3HG2  THR   1          1HG2      THR   1 -31.423  -6.786  -6.786
   10    HA   PRO   2           HA       PRO   2 -26.997 -12.487 -12.487
   11   1HB   PRO   2          1HB       PRO   2 -28.783 -14.653 -14.653
   12   2HB   PRO   2          2HB       PRO   2 -27.751 -14.209 -14.209
   13   1HG   PRO   2          1HG       PRO   2 -30.662 -13.402 -13.402
   14   2HG   PRO   2          2HG       PRO   2 -29.914 -14.080 -14.080
   15   1HD   PRO   2          1HD       PRO   2 -30.310 -11.369 -11.369
   16   2HD   PRO   2          2HD       PRO   2 -28.849 -12.008 -12.008
   17    H    ASP   3           H        ASP   3 -26.983 -12.628 -12.628
   18    HA   ASP   3           HA       ASP   3 -27.545 -12.473 -12.473
   19   1HB   ASP   3          1HB       ASP   3 -30.370 -13.374 -13.374
   20   2HB   ASP   3          2HB       ASP   3 -29.831 -13.103 -13.103
   21    H    VAL   4           H        VAL   4 -30.710 -11.207 -11.207
   22    HA   VAL   4           HA       VAL   4 -29.610  -8.391  -8.391
   23    HB   VAL   4           HB       VAL   4 -30.075  -9.411  -9.411
   24   1HG1  VAL   4          1HG1      VAL   4 -32.246 -10.608 -10.608
   25   2HG1  VAL   4          2HG1      VAL   4 -33.081  -9.045  -9.045
   26   3HG1  VAL   4          3HG1      VAL   4 -32.318  -9.505  -9.505
   27   1HG2  VAL   4          2HG2      VAL   4 -29.800  -6.982  -6.982
   28   2HG2  VAL   4          3HG2      VAL   4 -30.801  -7.370  -7.370
   29   3HG2  VAL   4          1HG2      VAL   4 -31.562  -6.788  -6.788
   30    H    SER   5           H        SER   5 -32.475  -7.602  -7.602
   31    HA   SER   5           HA       SER   5 -33.736  -6.162  -6.162
   32   1HB   SER   5          1HB       SER   5 -34.635  -8.145  -8.145
   33   2HB   SER   5          2HB       SER   5 -33.338  -8.000  -8.000
   34    HG   SER   5           HG       SER   5 -34.066  -5.862  -5.862
   35    H    SER   6           H        SER   6 -31.532  -5.280  -5.280
   36    HA   SER   6           HA       SER   6 -29.999  -3.541  -3.541
   37   1HB   SER   6          1HB       SER   6 -31.592  -2.407  -2.407
   38   2HB   SER   6          2HB       SER   6 -30.845  -3.191  -3.191
   39    HG   SER   6           HG       SER   6 -29.981  -1.151  -1.151
   40    H    ALA   7           H        ALA   7 -28.778  -5.631  -5.631
   41    HA   ALA   7           HA       ALA   7 -26.349  -5.496  -5.496
   42   1HB   ALA   7          2HB       ALA   7 -27.730  -8.223  -8.223
   43   2HB   ALA   7          3HB       ALA   7 -26.065  -8.001  -8.001
   44   3HB   ALA   7          1HB       ALA   7 -27.428  -7.380  -7.380
   45    H    LEU   8           H        LEU   8 -27.655  -7.428  -7.428
   46    HA   LEU   8           HA       LEU   8 -25.346  -6.704  -6.704
   47   1HB   LEU   8          1HB       LEU   8 -26.615  -8.862  -8.862
   48   2HB   LEU   8          2HB       LEU   8 -28.058  -7.955  -7.955
   49    HG   LEU   8           HG       LEU   8 -26.888  -7.025  -7.025
   50   1HD1  LEU   8          3HD1      LEU   8 -24.620  -9.003  -9.003
   51   2HD1  LEU   8          1HD1      LEU   8 -24.782  -8.136  -8.136
   52   3HD1  LEU   8          2HD1      LEU   8 -24.485  -7.228  -7.228
   53   1HD2  LEU   8          3HD2      LEU   8 -28.390  -9.014  -9.014
   54   2HD2  LEU   8          1HD2      LEU   8 -27.067  -9.132  -9.132
   55   3HD2  LEU   8          2HD2      LEU   8 -27.020 -10.105 -10.105
   56    H    ASP   9           H        ASP   9 -28.655  -5.546  -5.546
   57    HA   ASP   9           HA       ASP   9 -28.552  -3.290  -3.290
   58   1HB   ASP   9          1HB       ASP   9 -30.424  -4.191  -4.191
   59   2HB   ASP   9          2HB       ASP   9 -30.450  -2.502  -2.502
   60    H    LYS  10           H        LYS  10 -27.453  -3.574  -3.574
   61    HA   LYS  10           HA       LYS  10 -26.682  -0.698  -0.698
   62   1HB   LYS  10          2HB       LYS  10 -27.082  -2.090  -2.090
   63   2HB   LYS  10          1HB       LYS  10 -25.688  -3.090  -3.090
   64   1HG   LYS  10          1HG       LYS  10 -24.219  -1.004  -1.004
   65   2HG   LYS  10          2HG       LYS  10 -25.612  -0.052  -0.052
   66   1HD   LYS  10          1HD       LYS  10 -24.511  -2.478  -2.478
   67   2HD   LYS  10          2HD       LYS  10 -23.999  -0.824  -0.824
   68   1HE   LYS  10          1HE       LYS  10 -25.525  -1.100  -1.100
   69   2HE   LYS  10          2HE       LYS  10 -26.441  -0.169  -0.169
   70   1HZ   LYS  10          3HZ       LYS  10 -26.638  -3.118  -3.118
   71   2HZ   LYS  10          1HZ       LYS  10 -27.738  -1.990  -1.990
   72   3HZ   LYS  10          2HZ       LYS  10 -27.514  -2.270  -2.270
   73    H    LEU  11           H        LEU  11 -24.680  -3.677  -3.677
   74    HA   LEU  11           HA       LEU  11 -22.217  -2.397  -2.397
   75   1HB   LEU  11          1HB       LEU  11 -22.633  -4.758  -4.758
   76   2HB   LEU  11          2HB       LEU  11 -23.097  -5.170  -5.170
   77    HG   LEU  11           HG       LEU  11 -20.332  -3.921  -3.921
   78   1HD1  LEU  11          2HD1      LEU  11 -20.503  -5.648  -5.648
   79   2HD1  LEU  11          3HD1      LEU  11 -20.965  -6.884  -6.884
   80   3HD1  LEU  11          1HD1      LEU  11 -19.342  -6.147  -6.147
   81   1HD2  LEU  11          3HD2      LEU  11 -20.974  -4.450  -4.450
   82   2HD2  LEU  11          1HD2      LEU  11 -19.621  -5.453  -5.453
   83   3HD2  LEU  11          2HD2      LEU  11 -21.259  -6.146  -6.146
   84    H    LYS  12           H        LYS  12 -24.602  -3.048  -3.048
   85    HA   LYS  12           HA       LYS  12 -22.889  -2.505  -2.505
   86   1HB   LYS  12          1HB       LYS  12 -24.832  -2.206  -2.206
   87   2HB   LYS  12          2HB       LYS  12 -25.098  -3.533  -3.533
   88   1HG   LYS  12          1HG       LYS  12 -26.508  -1.957  -1.957
   89   2HG   LYS  12          2HG       LYS  12 -26.283  -0.693  -0.693
   90   1HD   LYS  12          1HD       LYS  12 -27.344  -2.275  -2.275
   91   2HD   LYS  12          2HD       LYS  12 -27.685  -3.405  -3.405
   92   1HE   LYS  12          1HE       LYS  12 -29.068  -1.567  -1.567
   93   2HE   LYS  12          2HE       LYS  12 -28.744  -0.496  -0.496
   94   1HZ   LYS  12          2HZ       LYS  12 -29.860  -2.111  -2.111
   95   2HZ   LYS  12          3HZ       LYS  12 -30.161  -3.113  -3.113
   96   3HZ   LYS  12          1HZ       LYS  12 -30.868  -1.621  -1.621
   97    H    GLU  13           H        GLU  13 -24.407  -0.114  -0.114
   98    HA   GLU  13           HA       GLU  13 -22.380   1.829   1.829
   99   1HB   GLU  13          1HB       GLU  13 -23.822   3.793   3.793
  100   2HB   GLU  13          2HB       GLU  13 -24.295   2.638   2.638
  101   1HG   GLU  13          1HG       GLU  13 -26.234   1.863   1.863
  102   2HG   GLU  13          2HG       GLU  13 -25.773   3.026   3.026
  103    H    PHE  14           H        PHE  14 -21.608   0.501   0.501
  104    HA   PHE  14           HA       PHE  14 -21.257   2.429   2.429
  105   1HB   PHE  14          1HB       PHE  14 -23.322   1.365   1.365
  106   2HB   PHE  14          2HB       PHE  14 -22.591  -0.213  -0.213
  107    HD1  PHE  14           HD2      PHE  14 -22.367   3.143   3.143
  108    HD2  PHE  14           HD1      PHE  14 -21.166  -0.987  -0.987
  109    HE1  PHE  14           HE2      PHE  14 -21.553   3.453   3.453
  110    HE2  PHE  14           HE1      PHE  14 -20.360  -0.658  -0.658
  111    HZ   PHE  14           HZ       PHE  14 -20.551   1.557   1.557
  112    H    GLY  15           H        GLY  15 -20.614  -1.048  -1.048
  113   1HA   GLY  15          1HA       GLY  15 -17.729  -0.918  -0.918
  114   2HA   GLY  15          2HA       GLY  15 -18.455  -2.217  -2.217
  115    H    ASN  16           H        ASN  16 -19.556  -0.841  -0.841
  116    HA   ASN  16           HA       ASN  16 -17.394  -0.139  -0.139
  117   1HB   ASN  16          1HB       ASN  16 -19.810  -0.899  -0.899
  118   2HB   ASN  16          2HB       ASN  16 -20.352   0.705   0.705
  119   1HD2  ASN  16          1HD2      ASN  16 -18.481   0.106   0.106
  120   2HD2  ASN  16          2HD2      ASN  16 -18.417  -1.159  -1.159
  121    H    THR  17           H        THR  17 -19.316   2.028   2.028
  122    HA   THR  17           HA       THR  17 -18.487   4.531   4.531
  123    HB   THR  17           HB       THR  17 -19.396   3.906   3.906
  124    HG1  THR  17           HG1      THR  17 -20.751   4.819   4.819
  125   1HG2  THR  17          3HG2      THR  17 -19.364   6.596   6.596
  126   2HG2  THR  17          1HG2      THR  17 -20.139   6.287   6.287
  127   3HG2  THR  17          2HG2      THR  17 -18.369   6.191   6.191
  128    H    LEU  18           H        LEU  18 -17.061   3.062   3.062
  129    HA   LEU  18           HA       LEU  18 -14.698   4.826   4.826
  130   1HB   LEU  18          1HB       LEU  18 -13.907   4.273   4.273
  131   2HB   LEU  18          2HB       LEU  18 -15.631   4.335   4.335
  132    HG   LEU  18           HG       LEU  18 -13.961   1.744   1.744
  133   1HD1  LEU  18          3HD1      LEU  18 -13.410   3.023   3.023
  134   2HD1  LEU  18          1HD1      LEU  18 -15.132   3.079   3.079
  135   3HD1  LEU  18          2HD1      LEU  18 -14.269   1.521   1.521
  136   1HD2  LEU  18          3HD2      LEU  18 -16.927   2.060   2.060
  137   2HD2  LEU  18          1HD2      LEU  18 -16.320   1.300   1.300
  138   3HD2  LEU  18          2HD2      LEU  18 -15.991   0.545   0.545
  139    H    GLU  19           H        GLU  19 -15.228   2.347   2.347
  140    HA   GLU  19           HA       GLU  19 -12.384   1.334   1.334
  141   1HB   GLU  19          1HB       GLU  19 -14.159  -0.366  -0.366
  142   2HB   GLU  19          2HB       GLU  19 -14.854   0.514   0.514
  143   1HG   GLU  19          1HG       GLU  19 -13.614  -1.396  -1.396
  144   2HG   GLU  19          2HG       GLU  19 -12.831   0.069   0.069
  145    H    ASP  20           H        ASP  20 -14.809   2.921   2.921
  146    HA   ASP  20           HA       ASP  20 -12.777   4.015   4.015
  147   1HB   ASP  20          1HB       ASP  20 -15.230   3.511   3.511
  148   2HB   ASP  20          2HB       ASP  20 -15.702   4.928   4.928
  149    H    LYS  21           H        LYS  21 -14.386   5.416   5.416
  150    HA   LYS  21           HA       LYS  21 -13.345   8.135   8.135
  151   1HB   LYS  21          1HB       LYS  21 -15.244   7.227   7.227
  152   2HB   LYS  21          2HB       LYS  21 -13.970   6.726   6.726
  153   1HG   LYS  21          1HG       LYS  21 -13.215   9.165   9.165
  154   2HG   LYS  21          2HG       LYS  21 -14.525   9.604   9.604
  155   1HD   LYS  21          1HD       LYS  21 -16.194   8.556   8.556
  156   2HD   LYS  21          2HD       LYS  21 -14.843   8.284   8.284
  157   1HE   LYS  21          1HE       LYS  21 -14.396  10.813  10.813
  158   2HE   LYS  21          2HE       LYS  21 -15.799  11.032  11.032
  159   1HZ   LYS  21          1HZ       LYS  21 -17.198  10.053  10.053
  160   2HZ   LYS  21          2HZ       LYS  21 -15.894   9.846   9.846
  161   3HZ   LYS  21          3HZ       LYS  21 -16.384  11.368  11.368
  162    H    ALA  22           H        ALA  22 -11.963   5.302   5.302
  163    HA   ALA  22           HA       ALA  22  -9.474   6.679   6.679
  164   1HB   ALA  22          2HB       ALA  22 -10.302   4.668   4.668
  165   2HB   ALA  22          3HB       ALA  22 -10.045   3.662   3.662
  166   3HB   ALA  22          1HB       ALA  22  -8.658   4.407   4.407
  167    H    ARG  23           H        ARG  23 -10.276   4.699   4.699
  168    HA   ARG  23           HA       ARG  23  -7.594   4.647   4.647
  169   1HB   ARG  23          1HB       ARG  23  -9.539   3.160   3.160
  170   2HB   ARG  23          2HB       ARG  23 -10.328   4.526   4.526
  171   1HG   ARG  23          1HG       ARG  23  -8.323   4.715   4.715
  172   2HG   ARG  23          2HG       ARG  23  -7.596   3.312   3.312
  173   1HD   ARG  23          1HD       ARG  23 -10.322   3.353   3.353
  174   2HD   ARG  23          2HD       ARG  23  -8.799   2.851   2.851
  175    HE   ARG  23           HE       ARG  23  -8.715   0.830   0.830
  176   1HH1  ARG  23          1HH1      ARG  23 -11.812   2.565   2.565
  177   2HH1  ARG  23          2HH1      ARG  23 -12.621   1.044   1.044
  178   1HH2  ARG  23          1HH2      ARG  23  -9.738  -0.829  -0.829
  179   2HH2  ARG  23          2HH2      ARG  23 -11.525  -0.746  -0.746
  180    H    GLU  24           H        GLU  24 -10.309   6.952   6.952
  181    HA   GLU  24           HA       GLU  24  -8.845   8.842   8.842
  182   1HB   GLU  24          1HB       GLU  24 -11.376   8.682   8.682
  183   2HB   GLU  24          2HB       GLU  24 -11.248   9.390   9.390
  184   1HG   GLU  24          1HG       GLU  24 -10.226  11.489  11.489
  185   2HG   GLU  24          2HG       GLU  24 -10.376  10.747  10.747
  186    H    LEU  25           H        LEU  25  -9.188   8.714   8.714
  187    HA   LEU  25           HA       LEU  25  -7.763  11.198  11.198
  188   1HB   LEU  25          1HB       LEU  25  -9.234   9.908   9.908
  189   2HB   LEU  25          2HB       LEU  25  -8.004   8.667   8.667
  190    HG   LEU  25           HG       LEU  25  -6.388  10.440  10.440
  191   1HD1  LEU  25          2HD1      LEU  25  -7.531  12.536  12.536
  192   2HD1  LEU  25          3HD1      LEU  25  -8.944  12.176  12.176
  193   3HD1  LEU  25          1HD1      LEU  25  -7.366  12.541  12.541
  194   1HD2  LEU  25          3HD2      LEU  25  -7.568   8.798   8.798
  195   2HD2  LEU  25          1HD2      LEU  25  -7.386  10.359  10.359
  196   3HD2  LEU  25          2HD2      LEU  25  -8.966   9.891   9.891
  197    H    ILE  26           H        ILE  26  -6.496   7.836   7.836
  198    HA   ILE  26           HA       ILE  26  -3.662   8.512   8.512
  199    HB   ILE  26           HB       ILE  26  -5.015   6.074   6.074
  200   1HG1  ILE  26          1HG1      ILE  26  -3.485   6.370   6.370
  201   2HG1  ILE  26          2HG1      ILE  26  -5.205   6.667   6.667
  202   1HG2  ILE  26          3HG2      ILE  26  -1.991   6.381   6.381
  203   2HG2  ILE  26          1HG2      ILE  26  -2.808   4.851   4.851
  204   3HG2  ILE  26          2HG2      ILE  26  -2.733   6.142   6.142
  205   1HD1  ILE  26          2HD1      ILE  26  -5.618   4.335   4.335
  206   2HD1  ILE  26          3HD1      ILE  26  -3.881   3.971   3.971
  207   3HD1  ILE  26          1HD1      ILE  26  -4.896   4.422   4.422
  208    H    SER  27           H        SER  27  -5.659   8.417   8.417
  209    HA   SER  27           HA       SER  27  -3.517   8.861   8.861
  210   1HB   SER  27          1HB       SER  27  -6.446   9.793   9.793
  211   2HB   SER  27          2HB       SER  27  -5.283   9.798   9.798
  212    HG   SER  27           HG       SER  27  -5.020   7.554   7.554
  213    H    ARG  28           H        ARG  28  -5.435  11.364  11.364
  214    HA   ARG  28           HA       ARG  28  -3.838  13.630  13.630
  215   1HB   ARG  28          1HB       ARG  28  -5.807  13.565  13.565
  216   2HB   ARG  28          2HB       ARG  28  -4.921  14.984  14.984
  217   1HG   ARG  28          1HG       ARG  28  -6.945  15.352  15.352
  218   2HG   ARG  28          2HG       ARG  28  -5.968  14.801  14.801
  219   1HD   ARG  28          1HD       ARG  28  -7.043  12.516  12.516
  220   2HD   ARG  28          2HD       ARG  28  -7.928  12.998  12.998
  221    HE   ARG  28           HE       ARG  28  -8.491  13.822  13.822
  222   1HH1  ARG  28          1HH1      ARG  28  -9.397  14.287  14.287
  223   2HH1  ARG  28          2HH1      ARG  28 -11.018  14.975  14.975
  224   1HH2  ARG  28          1HH2      ARG  28 -10.361  14.615  14.615
  225   2HH2  ARG  28          2HH2      ARG  28 -11.525  15.147  15.147
  226    H    ILE  29           H        ILE  29  -3.867  12.060  12.060
  227    HA   ILE  29           HA       ILE  29  -1.604  13.620  13.620
  228    HB   ILE  29           HB       ILE  29  -3.251  11.298  11.298
  229   1HG1  ILE  29          1HG1      ILE  29  -3.736  12.856  12.856
  230   2HG1  ILE  29          2HG1      ILE  29  -2.679  14.080  14.080
  231   1HG2  ILE  29          3HG2      ILE  29  -0.760  12.267  12.267
  232   2HG2  ILE  29          1HG2      ILE  29  -2.066  11.260  11.260
  233   3HG2  ILE  29          2HG2      ILE  29  -1.060  10.631  10.631
  234   1HD1  ILE  29          3HD1      ILE  29  -5.288  13.058  13.058
  235   2HD1  ILE  29          1HD1      ILE  29  -5.139  14.528  14.528
  236   3HD1  ILE  29          2HD1      ILE  29  -4.297  14.429  14.429
  237    H    LYS  30           H        LYS  30  -1.522  10.030  10.030
  238    HA   LYS  30           HA       LYS  30   0.170   8.605   8.605
  239   1HB   LYS  30          1HB       LYS  30  -0.297   9.839   9.839
  240   2HB   LYS  30          2HB       LYS  30   1.301  10.499  10.499
  241   1HG   LYS  30          1HG       LYS  30   1.542   8.561   8.561
  242   2HG   LYS  30          2HG       LYS  30   2.197   8.082   8.082
  243   1HD   LYS  30          1HD       LYS  30  -0.022   6.910   6.910
  244   2HD   LYS  30          2HD       LYS  30  -0.674   7.473   7.473
  245   1HE   LYS  30          1HE       LYS  30  -0.063   5.172   5.172
  246   2HE   LYS  30          2HE       LYS  30   1.108   6.117   6.117
  247   1HZ   LYS  30          1HZ       LYS  30   1.574   4.932   4.932
  248   2HZ   LYS  30          2HZ       LYS  30   2.174   4.357   4.357
  249   3HZ   LYS  30          3HZ       LYS  30   2.686   5.815   5.815
  250    H    GLN  31           H        GLN  31   0.822   9.282   9.282
  251    HA   GLN  31           HA       GLN  31   2.247   9.951   9.951
  252   1HB   GLN  31          1HB       GLN  31   4.299   8.882   8.882
  253   2HB   GLN  31          2HB       GLN  31   4.702   9.448   9.448
  254   1HG   GLN  31          1HG       GLN  31   3.074   7.783   7.783
  255   2HG   GLN  31          2HG       GLN  31   2.766   7.144   7.144
  256   1HE2  GLN  31          2HE2      GLN  31   6.274   6.110   6.110
  257   2HE2  GLN  31          1HE2      GLN  31   5.129   7.369   7.369
  258    H    SER  32           H        SER  32   1.291  12.100  12.100
  259    HA   SER  32           HA       SER  32   3.510  14.120  14.120
  260   1HB   SER  32          1HB       SER  32   3.229  13.959  13.959
  261   2HB   SER  32          2HB       SER  32   1.533  14.430  14.430
  262    HG   SER  32           HG       SER  32   2.910  16.174  16.174
  263    H    GLU  33           H        GLU  33   2.841  15.029  15.029
  264    HA   GLU  33           HA       GLU  33   1.617  16.076  16.076
  265   1HB   GLU  33          1HB       GLU  33   0.497  17.401  17.401
  266   2HB   GLU  33          2HB       GLU  33  -0.874  16.305  16.305
  267   1HG   GLU  33          1HG       GLU  33  -1.212  17.008  17.008
  268   2HG   GLU  33          2HG       GLU  33   0.202  18.053  18.053
  269    H    LEU  34           H        LEU  34   0.588  13.137  13.137
  270    HA   LEU  34           HA       LEU  34  -0.482  12.265  12.265
  271   1HB   LEU  34          1HB       LEU  34  -1.672  11.287  11.287
  272   2HB   LEU  34          2HB       LEU  34  -0.196  10.746  10.746
  273    HG   LEU  34           HG       LEU  34  -1.673   9.018   9.018
  274   1HD1  LEU  34          1HD1      LEU  34   0.719   8.524   8.524
  275   2HD1  LEU  34          2HD1      LEU  34   1.205   8.899   8.899
  276   3HD1  LEU  34          3HD1      LEU  34   0.109   7.542   7.542
  277   1HD2  LEU  34          3HD2      LEU  34  -2.256  10.188  10.188
  278   2HD2  LEU  34          1HD2      LEU  34  -1.595   8.561   8.561
  279   3HD2  LEU  34          2HD2      LEU  34  -0.580   9.991   9.991
  280    H    SER  35           H        SER  35   2.166  12.175  12.175
  281    HA   SER  35           HA       SER  35   4.147  11.434  11.434
  282   1HB   SER  35          1HB       SER  35   4.089  10.297  10.297
  283   2HB   SER  35          2HB       SER  35   5.445  10.150  10.150
  284    HG   SER  35           HG       SER  35   4.012   9.090   9.090
  285    H    ALA  36           H        ALA  36   4.435  13.520  13.520
  286    HA   ALA  36           HA       ALA  36   6.742  14.411  14.411
  287   1HB   ALA  36          2HB       ALA  36   5.096  16.278  16.278
  288   2HB   ALA  36          3HB       ALA  36   5.102  16.327  16.327
  289   3HB   ALA  36          1HB       ALA  36   6.580  16.727  16.727
  290    H    LYS  37           H        LYS  37   5.500  13.631  13.631
  291    HA   LYS  37           HA       LYS  37   8.129  14.033  14.033
  292   1HB   LYS  37          1HB       LYS  37   5.482  12.892  12.892
  293   2HB   LYS  37          2HB       LYS  37   6.950  12.996  12.996
  294   1HG   LYS  37          1HG       LYS  37   5.445  15.420  15.420
  295   2HG   LYS  37          2HG       LYS  37   5.316  14.815  14.815
  296   1HD   LYS  37          1HD       LYS  37   7.782  15.274  15.274
  297   2HD   LYS  37          2HD       LYS  37   7.908  15.922  15.922
  298   1HE   LYS  37          1HE       LYS  37   6.198  17.712  17.712
  299   2HE   LYS  37          2HE       LYS  37   6.082  17.077  17.077
  300   1HZ   LYS  37          2HZ       LYS  37   8.566  18.153  18.153
  301   2HZ   LYS  37          3HZ       LYS  37   7.630  18.927  18.927
  302   3HZ   LYS  37          1HZ       LYS  37   8.459  17.561  17.561
  303    H    MET  38           H        MET  38   6.064  11.255  11.255
  304    HA   MET  38           HA       MET  38   8.081   9.205   9.205
  305   1HB   MET  38          1HB       MET  38   5.811   9.198   9.198
  306   2HB   MET  38          2HB       MET  38   6.848   7.826   7.826
  307   1HG   MET  38          1HG       MET  38   4.901   9.078   9.078
  308   2HG   MET  38          2HG       MET  38   4.748   7.513   7.513
  309   1HE   MET  38          2HE       MET  38   6.358   5.392   5.392
  310   2HE   MET  38          1HE       MET  38   7.911   6.261   6.261
  311   3HE   MET  38          3HE       MET  38   7.600   5.354   5.354
  312    H    ARG  39           H        ARG  39   7.690  11.324  11.324
  313    HA   ARG  39           HA       ARG  39   9.723   9.786   9.786
  314   1HB   ARG  39          1HB       ARG  39   8.387  12.486  12.486
  315   2HB   ARG  39          2HB       ARG  39   9.785  11.961  11.961
  316   1HG   ARG  39          1HG       ARG  39   8.613   9.762   9.762
  317   2HG   ARG  39          2HG       ARG  39   7.141  10.404  10.404
  318   1HD   ARG  39          1HD       ARG  39   7.035  12.240  12.240
  319   2HD   ARG  39          2HD       ARG  39   8.642  11.829  11.829
  320    HE   ARG  39           HE       ARG  39   6.968   9.452   9.452
  321   1HH1  ARG  39          1HH1      ARG  39   7.285  12.669  12.669
  322   2HH1  ARG  39          2HH1      ARG  39   6.612  12.027  12.027
  323   1HH2  ARG  39          1HH2      ARG  39   6.219   8.826   8.826
  324   2HH2  ARG  39          2HH2      ARG  39   6.050   9.999   9.999
  325    H    GLU  40           H        GLU  40  10.055  12.765  12.765
  326    HA   GLU  40           HA       GLU  40  12.979  12.946  12.946
  327   1HB   GLU  40          1HB       GLU  40  13.100  14.480  14.480
  328   2HB   GLU  40          2HB       GLU  40  11.775  14.894  14.894
  329   1HG   GLU  40          1HG       GLU  40  10.177  13.772  13.772
  330   2HG   GLU  40          2HG       GLU  40  11.540  13.586  13.586
  331    H    TRP  41           H        TRP  41  11.038  11.194  11.194
  332    HA   TRP  41           HA       TRP  41  13.260   9.997   9.997
  333   1HB   TRP  41          1HB       TRP  41  10.908  10.100  10.100
  334   2HB   TRP  41          2HB       TRP  41  10.374   9.005   9.005
  335    HD1  TRP  41           HD1      TRP  41  11.975   9.059   9.059
  336    HE1  TRP  41           HE1      TRP  41  12.190   6.631   6.631
  337    HE3  TRP  41           HE3      TRP  41  10.981   6.543   6.543
  338    HZ2  TRP  41           HZ2      TRP  41  11.882   4.013   4.013
  339    HZ3  TRP  41           HZ3      TRP  41  10.942   4.061   4.061
  340    HH2  TRP  41           HH2      TRP  41  11.388   2.824   2.824
  341    H    PHE  42           H        PHE  42  11.694   8.856   8.856
  342    HA   PHE  42           HA       PHE  42  13.182   6.265   6.265
  343   1HB   PHE  42          1HB       PHE  42  11.744   7.783   7.783
  344   2HB   PHE  42          2HB       PHE  42  12.589   6.292   6.292
  345    HD1  PHE  42           HD2      PHE  42  11.936   4.235   4.235
  346    HD2  PHE  42           HD1      PHE  42   9.367   7.507   7.507
  347    HE1  PHE  42           HE2      PHE  42   9.952   2.864   2.864
  348    HE2  PHE  42           HE1      PHE  42   7.403   6.133   6.133
  349    HZ   PHE  42           HZ       PHE  42   7.687   3.810   3.810
  350    H    SER  43           H        SER  43  13.871   9.491   9.491
  351    HA   SER  43           HA       SER  43  16.568   8.638   8.638
  352   1HB   SER  43          1HB       SER  43  15.179  11.374  11.374
  353   2HB   SER  43          2HB       SER  43  16.811  11.021  11.021
  354    HG   SER  43           HG       SER  43  15.254  10.812  10.812
  355    H    GLU  44           H        GLU  44  17.133   7.974   7.974
  356    HA   GLU  44           HA       GLU  44  18.647   9.428   9.428
  357   1HB   GLU  44          1HB       GLU  44  15.679   9.841   9.841
  358   2HB   GLU  44          2HB       GLU  44  16.572   9.272   9.272
  359   1HG   GLU  44          1HG       GLU  44  18.110  11.173  11.173
  360   2HG   GLU  44          2HG       GLU  44  17.434  11.799  11.799
  361    H    THR  45           H        THR  45  15.787   7.322   7.322
  362    HA   THR  45           HA       THR  45  17.480   4.917   4.917
  363    HB   THR  45           HB       THR  45  14.493   5.292   5.292
  364    HG1  THR  45           HG1      THR  45  15.404   6.729   6.729
  365   1HG2  THR  45          2HG2      THR  45  15.149   2.863   2.863
  366   2HG2  THR  45          3HG2      THR  45  16.056   3.243   3.243
  367   3HG2  THR  45          1HG2      THR  45  14.283   3.419   3.419
  368    H    PHE  46           H        PHE  46  18.054   5.499   5.499
  369    HA   PHE  46           HA       PHE  46  16.448   4.423   4.423
  370   1HB   PHE  46          1HB       PHE  46  17.846   6.464   6.464
  371   2HB   PHE  46          2HB       PHE  46  19.316   5.547   5.547
  372    HD1  PHE  46           HD1      PHE  46  16.287   6.084   6.084
  373    HD2  PHE  46           HD2      PHE  46  20.281   4.488   4.488
  374    HE1  PHE  46           HE1      PHE  46  16.315   5.852   5.852
  375    HE2  PHE  46           HE2      PHE  46  20.296   4.280   4.280
  376    HZ   PHE  46           HZ       PHE  46  18.317   4.953   4.953
  377    H    GLN  47           H        GLN  47  19.790   3.305   3.305
  378    HA   GLN  47           HA       GLN  47  19.546   0.807   0.807
  379   1HB   GLN  47          1HB       GLN  47  21.664   2.044   2.044
  380   2HB   GLN  47          2HB       GLN  47  21.476   1.590   1.590
  381   1HG   GLN  47          1HG       GLN  47  21.724  -0.426  -0.426
  382   2HG   GLN  47          2HG       GLN  47  23.117   0.311   0.311
  383   1HE2  GLN  47          2HE2      GLN  47  22.644  -3.025  -3.025
  384   2HE2  GLN  47          1HE2      GLN  47  22.880  -2.398  -2.398
  385    H    LYS  48           H        LYS  48  18.827   1.562   1.562
  386    HA   LYS  48           HA       LYS  48  18.292  -1.172  -1.172
  387   1HB   LYS  48          1HB       LYS  48  16.988   1.405   1.405
  388   2HB   LYS  48          2HB       LYS  48  17.009  -0.134  -0.134
  389   1HG   LYS  48          1HG       LYS  48  19.377   1.743   1.743
  390   2HG   LYS  48          2HG       LYS  48  18.592   1.404   1.404
  391   1HD   LYS  48          1HD       LYS  48  20.303  -0.570  -0.570
  392   2HD   LYS  48          2HD       LYS  48  20.819   0.332   0.332
  393   1HE   LYS  48          1HE       LYS  48  19.092  -0.897  -0.897
  394   2HE   LYS  48          2HE       LYS  48  18.602  -1.834  -1.834
  395   1HZ   LYS  48          2HZ       LYS  48  20.878  -2.700  -2.700
  396   2HZ   LYS  48          3HZ       LYS  48  21.337  -1.830  -1.830
  397   3HZ   LYS  48          1HZ       LYS  48  20.216  -3.034  -3.034
  398    H    VAL  49           H        VAL  49  16.241   0.965   0.965
  399    HA   VAL  49           HA       VAL  49  13.957  -1.054  -1.054
  400    HB   VAL  49           HB       VAL  49  14.029   1.573   1.573
  401   1HG1  VAL  49          3HG1      VAL  49  12.427  -0.037  -0.037
  402   2HG1  VAL  49          1HG1      VAL  49  11.614  -0.288  -0.288
  403   3HG1  VAL  49          2HG1      VAL  49  11.551   1.299   1.299
  404   1HG2  VAL  49          2HG2      VAL  49  13.903   2.031   2.031
  405   2HG2  VAL  49          3HG2      VAL  49  12.379   2.463   2.463
  406   3HG2  VAL  49          1HG2      VAL  49  12.509   0.947   0.947
  407    H    LYS  50           H        LYS  50  16.060   0.500   0.500
  408    HA   LYS  50           HA       LYS  50  14.936  -0.972  -0.972
  409   1HB   LYS  50          1HB       LYS  50  16.240   1.239   1.239
  410   2HB   LYS  50          2HB       LYS  50  17.733   0.337   0.337
  411   1HG   LYS  50          1HG       LYS  50  17.107  -0.853  -0.853
  412   2HG   LYS  50          2HG       LYS  50  15.855   0.372   0.372
  413   1HD   LYS  50          1HD       LYS  50  17.539   1.476   1.476
  414   2HD   LYS  50          2HD       LYS  50  17.842   2.112   2.112
  415   1HE   LYS  50          1HE       LYS  50  19.727   0.499   0.499
  416   2HE   LYS  50          2HE       LYS  50  19.339  -0.356  -0.356
  417   1HZ   LYS  50          1HZ       LYS  50  20.250   2.478   2.478
  418   2HZ   LYS  50          2HZ       LYS  50  21.164   1.185   1.185
  419   3HZ   LYS  50          3HZ       LYS  50  19.889   1.674   1.674
  420    H    GLU  51           H        GLU  51  18.055  -1.687  -1.687
  421    HA   GLU  51           HA       GLU  51  18.474  -4.212  -4.212
  422   1HB   GLU  51          1HB       GLU  51  20.093  -3.094  -3.094
  423   2HB   GLU  51          2HB       GLU  51  20.512  -4.533  -4.533
  424   1HG   GLU  51          1HG       GLU  51  20.436  -1.676  -1.676
  425   2HG   GLU  51          2HG       GLU  51  21.865  -2.581  -2.581
  426    H    LYS  52           H        LYS  52  16.507  -3.559  -3.559
  427    HA   LYS  52           HA       LYS  52  16.834  -6.389  -6.389
  428   1HB   LYS  52          1HB       LYS  52  15.126  -4.152  -4.152
  429   2HB   LYS  52          2HB       LYS  52  15.344  -5.764  -5.764
  430   1HG   LYS  52          1HG       LYS  52  17.492  -3.579  -3.579
  431   2HG   LYS  52          2HG       LYS  52  16.660  -4.084  -4.084
  432   1HD   LYS  52          1HD       LYS  52  17.739  -6.344  -6.344
  433   2HD   LYS  52          2HD       LYS  52  18.571  -5.908  -5.908
  434   1HE   LYS  52          1HE       LYS  52  18.966  -4.454  -4.454
  435   2HE   LYS  52          2HE       LYS  52  19.996  -5.749  -5.749
  436   1HZ   LYS  52          3HZ       LYS  52  20.578  -4.351  -4.351
  437   2HZ   LYS  52          1HZ       LYS  52  19.617  -3.125  -3.125
  438   3HZ   LYS  52          2HZ       LYS  52  20.943  -3.589  -3.589
  439    H    LEU  53           H        LEU  53  14.415  -4.159  -4.159
  440    HA   LEU  53           HA       LEU  53  12.560  -6.482  -6.482
  441   1HB   LEU  53          1HB       LEU  53  12.162  -3.508  -3.508
  442   2HB   LEU  53          2HB       LEU  53  11.009  -4.774  -4.774
  443    HG   LEU  53           HG       LEU  53  12.005  -3.955  -3.955
  444   1HD1  LEU  53          3HD2      LEU  53  10.556  -2.240  -2.240
  445   2HD1  LEU  53          1HD2      LEU  53   9.278  -3.450  -3.450
  446   3HD1  LEU  53          2HD2      LEU  53   9.749  -2.978  -2.978
  447   1HD2  LEU  53          1HD1      LEU  53   9.837  -6.037  -6.037
  448   2HD2  LEU  53          2HD1      LEU  53  11.407  -6.367  -6.367
  449   3HD2  LEU  53          3HD1      LEU  53  10.183  -5.428  -5.428
  450    H    LYS  54           H        LYS  54  14.237  -7.424  -7.424
  451    HA   LYS  54           HA       LYS  54  14.521  -5.935  -5.935
  452   1HB   LYS  54          1HB       LYS  54  16.571  -5.668  -5.668
  453   2HB   LYS  54          2HB       LYS  54  16.831  -7.379  -7.379
  454   1HG   LYS  54          1HG       LYS  54  18.284  -6.625  -6.625
  455   2HG   LYS  54          2HG       LYS  54  16.910  -6.851  -6.851
  456   1HD   LYS  54          1HD       LYS  54  17.869  -4.198  -4.198
  457   2HD   LYS  54          2HD       LYS  54  18.205  -4.711  -4.711
  458   1HE   LYS  54          1HE       LYS  54  15.418  -3.948  -3.948
  459   2HE   LYS  54          2HE       LYS  54  16.460  -2.943  -2.943
  460   1HZ   LYS  54          2HZ       LYS  54  16.258  -4.563  -4.563
  461   2HZ   LYS  54          3HZ       LYS  54  15.277  -5.525  -5.525
  462   3HZ   LYS  54          1HZ       LYS  54  14.771  -4.018  -4.018
  463    H    ILE  55           H        ILE  55  15.478  -9.124  -9.124
  464    HA   ILE  55           HA       ILE  55  14.565 -10.571 -10.571
  465    HB   ILE  55           HB       ILE  55  15.630 -11.648 -11.648
  466   1HG1  ILE  55          1HG1      ILE  55  16.864 -11.618 -11.618
  467   2HG1  ILE  55          2HG1      ILE  55  17.220 -10.405 -10.405
  468   1HG2  ILE  55          2HG2      ILE  55  14.056 -13.360 -13.360
  469   2HG2  ILE  55          3HG2      ILE  55  14.873 -13.268 -13.268
  470   3HG2  ILE  55          1HG2      ILE  55  15.722 -13.912 -13.912
  471   1HD1  ILE  55          2HD1      ILE  55  18.151 -12.158 -12.158
  472   2HD1  ILE  55          3HD1      ILE  55  17.919 -13.376 -13.376
  473   3HD1  ILE  55          1HD1      ILE  55  19.023 -12.004 -12.004
  474    H    ASP  56           H        ASP  56  13.433 -10.674 -10.674
  475    HA   ASP  56           HA       ASP  56  10.879 -11.848 -11.848
  476   1HB   ASP  56          1HB       ASP  56  10.153 -11.104 -11.104
  477   2HB   ASP  56          2HB       ASP  56  11.773 -11.746 -11.746
  478    H    SER  57           H        SER  57  11.398  -8.255  -8.255
  479    HA   SER  57           HA       SER  57   8.978  -7.960  -7.960
  480   1HB   SER  57          1HB       SER  57   8.137  -7.622  -7.622
  481   2HB   SER  57          2HB       SER  57   9.332  -6.349  -6.349
  482    HG   SER  57           HG       SER  57   7.313  -5.561  -5.561

  Start of MODEL   13
    1   1H    THR   1          3H        THR   1 -22.418 -20.536 -20.536
    2   2H    THR   1          1H        THR   1 -22.986 -21.781 -21.781
    3   3H    THR   1          2H        THR   1 -21.573 -21.952 -21.952
    4    HA   THR   1           HA       THR   1 -20.517 -20.290 -20.290
    5    HB   THR   1           HB       THR   1 -20.225 -22.605 -22.605
    6    HG1  THR   1           HG1      THR   1 -20.236 -20.785 -20.785
    7   1HG2  THR   1          2HG2      THR   1 -22.482 -23.260 -23.260
    8   2HG2  THR   1          3HG2      THR   1 -22.244 -22.159 -22.159
    9   3HG2  THR   1          1HG2      THR   1 -21.177 -23.564 -23.564
   10    HA   PRO   2           HA       PRO   2 -23.145 -18.288 -18.288
   11   1HB   PRO   2          1HB       PRO   2 -25.929 -18.392 -18.392
   12   2HB   PRO   2          2HB       PRO   2 -24.973 -19.768 -19.768
   13   1HG   PRO   2          1HG       PRO   2 -26.301 -19.438 -19.438
   14   2HG   PRO   2          2HG       PRO   2 -26.256 -20.873 -20.873
   15   1HD   PRO   2          1HD       PRO   2 -24.534 -20.468 -20.468
   16   2HD   PRO   2          2HD       PRO   2 -24.069 -21.479 -21.479
   17    H    ASP   3           H        ASP   3 -22.570 -16.323 -16.323
   18    HA   ASP   3           HA       ASP   3 -23.777 -14.857 -14.857
   19   1HB   ASP   3          1HB       ASP   3 -21.375 -14.115 -14.115
   20   2HB   ASP   3          2HB       ASP   3 -21.976 -13.123 -13.123
   21    H    VAL   4           H        VAL   4 -25.284 -13.475 -13.475
   22    HA   VAL   4           HA       VAL   4 -25.905 -12.082 -12.082
   23    HB   VAL   4           HB       VAL   4 -28.247 -13.076 -13.076
   24   1HG1  VAL   4          3HG1      VAL   4 -28.662 -11.437 -11.437
   25   2HG1  VAL   4          1HG1      VAL   4 -27.939 -12.546 -12.546
   26   3HG1  VAL   4          2HG1      VAL   4 -29.451 -12.986 -12.986
   27   1HG2  VAL   4          2HG2      VAL   4 -26.938 -14.864 -14.864
   28   2HG2  VAL   4          3HG2      VAL   4 -27.075 -15.250 -15.250
   29   3HG2  VAL   4          1HG2      VAL   4 -28.536 -15.139 -15.139
   30    H    SER   5           H        SER   5 -26.610 -12.074 -12.074
   31    HA   SER   5           HA       SER   5 -28.173  -9.587  -9.587
   32   1HB   SER   5          1HB       SER   5 -27.101 -11.077 -11.077
   33   2HB   SER   5          2HB       SER   5 -28.219  -9.711  -9.711
   34    HG   SER   5           HG       SER   5 -29.277 -11.698 -11.698
   35    H    SER   6           H        SER   6 -26.825  -8.259  -8.259
   36    HA   SER   6           HA       SER   6 -25.359  -6.443  -6.443
   37   1HB   SER   6          1HB       SER   6 -24.879  -6.315  -6.315
   38   2HB   SER   6          2HB       SER   6 -24.277  -5.171  -5.171
   39    HG   SER   6           HG       SER   6 -26.220  -4.511  -4.511
   40    H    ALA   7           H        ALA   7 -24.433  -8.510  -8.510
   41    HA   ALA   7           HA       ALA   7 -21.679  -9.228  -9.228
   42   1HB   ALA   7          2HB       ALA   7 -23.105 -11.063 -11.063
   43   2HB   ALA   7          3HB       ALA   7 -23.226 -10.333 -10.333
   44   3HB   ALA   7          1HB       ALA   7 -21.656 -10.916 -10.916
   45    H    LEU   8           H        LEU   8 -22.918  -8.131  -8.131
   46    HA   LEU   8           HA       LEU   8 -20.343  -6.940  -6.940
   47   1HB   LEU   8          1HB       LEU   8 -22.088  -7.892  -7.892
   48   2HB   LEU   8          2HB       LEU   8 -23.125  -6.529  -6.529
   49    HG   LEU   8           HG       LEU   8 -21.915  -6.564  -6.564
   50   1HD1  LEU   8          2HD1      LEU   8 -22.794  -4.394  -4.394
   51   2HD1  LEU   8          3HD1      LEU   8 -21.180  -4.017  -4.017
   52   3HD1  LEU   8          1HD1      LEU   8 -21.414  -4.199  -4.199
   53   1HD2  LEU   8          3HD2      LEU   8 -19.700  -7.485  -7.485
   54   2HD2  LEU   8          1HD2      LEU   8 -19.532  -6.015  -6.015
   55   3HD2  LEU   8          2HD2      LEU   8 -19.308  -5.931  -5.931
   56    H    ASP   9           H        ASP   9 -23.250  -5.541  -5.541
   57    HA   ASP   9           HA       ASP   9 -22.719  -2.742  -2.742
   58   1HB   ASP   9          1HB       ASP   9 -24.850  -3.846  -3.846
   59   2HB   ASP   9          2HB       ASP   9 -24.085  -4.163  -4.163
   60    H    LYS  10           H        LYS  10 -21.407  -4.860  -4.860
   61    HA   LYS  10           HA       LYS  10 -20.262  -2.644  -2.644
   62   1HB   LYS  10          2HB       LYS  10 -19.550  -5.620  -5.620
   63   2HB   LYS  10          1HB       LYS  10 -18.952  -4.422  -4.422
   64   1HG   LYS  10          1HG       LYS  10 -21.911  -5.212  -5.212
   65   2HG   LYS  10          2HG       LYS  10 -20.806  -5.758  -5.758
   66   1HD   LYS  10          1HD       LYS  10 -21.819  -4.152  -4.152
   67   2HD   LYS  10          2HD       LYS  10 -20.538  -3.146  -3.146
   68   1HE   LYS  10          1HE       LYS  10 -22.223  -2.346  -2.346
   69   2HE   LYS  10          2HE       LYS  10 -23.454  -3.340  -3.340
   70   1HZ   LYS  10          3HZ       LYS  10 -23.155  -2.025  -2.025
   71   2HZ   LYS  10          1HZ       LYS  10 -21.995  -1.098  -1.098
   72   3HZ   LYS  10          2HZ       LYS  10 -23.551  -1.054  -1.054
   73    H    LEU  11           H        LEU  11 -18.632  -4.678  -4.678
   74    HA   LEU  11           HA       LEU  11 -16.077  -3.222  -3.222
   75   1HB   LEU  11          1HB       LEU  11 -14.993  -4.347  -4.347
   76   2HB   LEU  11          2HB       LEU  11 -15.771  -5.475  -5.475
   77    HG   LEU  11           HG       LEU  11 -17.083  -4.727  -4.727
   78   1HD1  LEU  11          3HD2      LEU  11 -14.738  -5.389  -5.389
   79   2HD1  LEU  11          1HD2      LEU  11 -14.921  -6.893  -6.893
   80   3HD1  LEU  11          2HD2      LEU  11 -15.879  -6.631  -6.631
   81   1HD2  LEU  11          3HD1      LEU  11 -17.223  -7.288  -7.288
   82   2HD2  LEU  11          1HD1      LEU  11 -18.504  -6.067  -6.067
   83   3HD2  LEU  11          2HD1      LEU  11 -18.037  -7.054  -7.054
   84    H    LYS  12           H        LYS  12 -18.708  -2.721  -2.721
   85    HA   LYS  12           HA       LYS  12 -17.232  -0.582  -0.582
   86   1HB   LYS  12          1HB       LYS  12 -19.208   0.097   0.097
   87   2HB   LYS  12          2HB       LYS  12 -18.992  -1.634  -1.634
   88   1HG   LYS  12          1HG       LYS  12 -20.812  -2.035  -2.035
   89   2HG   LYS  12          2HG       LYS  12 -20.992  -0.309  -0.309
   90   1HD   LYS  12          1HD       LYS  12 -21.671   0.099   0.099
   91   2HD   LYS  12          2HD       LYS  12 -21.419  -1.600  -1.600
   92   1HE   LYS  12          1HE       LYS  12 -23.249  -2.293  -2.293
   93   2HE   LYS  12          2HE       LYS  12 -23.483  -0.613  -0.613
   94   1HZ   LYS  12          2HZ       LYS  12 -23.878  -1.643  -1.643
   95   2HZ   LYS  12          3HZ       LYS  12 -25.075  -1.262  -1.262
   96   3HZ   LYS  12          1HZ       LYS  12 -24.099  -0.074  -0.074
   97    H    GLU  13           H        GLU  13 -19.454  -0.500  -0.500
   98    HA   GLU  13           HA       GLU  13 -19.216   2.433   2.433
   99   1HB   GLU  13          1HB       GLU  13 -21.157   1.075   1.075
  100   2HB   GLU  13          2HB       GLU  13 -20.086   0.245   0.245
  101   1HG   GLU  13          1HG       GLU  13 -21.366   1.939   1.939
  102   2HG   GLU  13          2HG       GLU  13 -19.673   2.369   2.369
  103    H    PHE  14           H        PHE  14 -17.243  -0.320  -0.320
  104    HA   PHE  14           HA       PHE  14 -15.499   1.199   1.199
  105   1HB   PHE  14          1HB       PHE  14 -15.541  -1.240  -1.240
  106   2HB   PHE  14          2HB       PHE  14 -14.983  -1.408  -1.408
  107    HD1  PHE  14           HD2      PHE  14 -13.955  -0.150  -0.150
  108    HD2  PHE  14           HD1      PHE  14 -12.599  -1.414  -1.414
  109    HE1  PHE  14           HE2      PHE  14 -11.616  -0.072  -0.072
  110    HE2  PHE  14           HE1      PHE  14 -10.270  -1.331  -1.331
  111    HZ   PHE  14           HZ       PHE  14  -9.773  -0.654  -0.654
  112    H    GLY  15           H        GLY  15 -15.144   0.503   0.503
  113   1HA   GLY  15          1HA       GLY  15 -12.750   2.123   2.123
  114   2HA   GLY  15          2HA       GLY  15 -13.951   1.772   1.772
  115    H    ASN  16           H        ASN  16 -16.199   3.081   3.081
  116    HA   ASN  16           HA       ASN  16 -15.822   5.908   5.908
  117   1HB   ASN  16          1HB       ASN  16 -18.083   4.559   4.559
  118   2HB   ASN  16          2HB       ASN  16 -18.139   6.213   6.213
  119   1HD2  ASN  16          1HD2      ASN  16 -20.016   4.035   4.035
  120   2HD2  ASN  16          2HD2      ASN  16 -20.015   4.203   4.203
  121    H    THR  17           H        THR  17 -15.877   4.342   4.342
  122    HA   THR  17           HA       THR  17 -15.761   6.876   6.876
  123    HB   THR  17           HB       THR  17 -14.985   5.522   5.522
  124    HG1  THR  17           HG1      THR  17 -14.083   3.810   3.810
  125   1HG2  THR  17          1HG2      THR  17 -17.365   6.076   6.076
  126   2HG2  THR  17          2HG2      THR  17 -17.592   4.622   4.622
  127   3HG2  THR  17          3HG2      THR  17 -17.167   4.458   4.458
  128    H    LEU  18           H        LEU  18 -12.999   4.545   4.545
  129    HA   LEU  18           HA       LEU  18 -11.186   6.718   6.718
  130   1HB   LEU  18          1HB       LEU  18  -9.417   5.335   5.335
  131   2HB   LEU  18          2HB       LEU  18 -10.746   4.312   4.312
  132    HG   LEU  18           HG       LEU  18  -9.276   4.266   4.266
  133   1HD1  LEU  18          3HD2      LEU  18  -7.851   3.476   3.476
  134   2HD1  LEU  18          1HD2      LEU  18  -9.100   2.298   2.298
  135   3HD1  LEU  18          2HD2      LEU  18  -8.255   2.132   2.132
  136   1HD2  LEU  18          2HD1      LEU  18 -11.404   2.284   2.284
  137   2HD2  LEU  18          3HD1      LEU  18 -11.607   3.431   3.431
  138   3HD2  LEU  18          1HD1      LEU  18 -10.454   2.094   2.094
  139    H    GLU  19           H        GLU  19 -12.537   6.484   6.484
  140    HA   GLU  19           HA       GLU  19 -10.396   7.868   7.868
  141   1HB   GLU  19          1HB       GLU  19 -11.935   6.407   6.407
  142   2HB   GLU  19          2HB       GLU  19 -13.304   7.358   7.358
  143   1HG   GLU  19          1HG       GLU  19 -12.781   7.942   7.942
  144   2HG   GLU  19          2HG       GLU  19 -12.478   9.347   9.347
  145    H    ASP  20           H        ASP  20 -13.615   8.712   8.712
  146    HA   ASP  20           HA       ASP  20 -13.271  11.603  11.603
  147   1HB   ASP  20          1HB       ASP  20 -15.467  10.371  10.371
  148   2HB   ASP  20          2HB       ASP  20 -15.001   9.946   9.946
  149    H    LYS  21           H        LYS  21 -12.466   9.320   9.320
  150    HA   LYS  21           HA       LYS  21 -11.420  11.368  11.368
  151   1HB   LYS  21          1HB       LYS  21 -12.072   8.915   8.915
  152   2HB   LYS  21          2HB       LYS  21 -10.525   8.431   8.431
  153   1HG   LYS  21          1HG       LYS  21 -10.286   8.560   8.560
  154   2HG   LYS  21          2HG       LYS  21  -9.346   9.887   9.887
  155   1HD   LYS  21          1HD       LYS  21 -11.319  11.478  11.478
  156   2HD   LYS  21          2HD       LYS  21 -12.172  10.102  10.102
  157   1HE   LYS  21          1HE       LYS  21 -11.226  11.277  11.277
  158   2HE   LYS  21          2HE       LYS  21 -10.274   9.801   9.801
  159   1HZ   LYS  21          3HZ       LYS  21  -9.468  12.498  12.498
  160   2HZ   LYS  21          1HZ       LYS  21  -8.872  11.745  11.745
  161   3HZ   LYS  21          2HZ       LYS  21  -8.558  11.128  11.128
  162    H    ALA  22           H        ALA  22  -9.671   9.471   9.471
  163    HA   ALA  22           HA       ALA  22  -7.011  10.629  10.629
  164   1HB   ALA  22          2HB       ALA  22  -7.237   8.535   8.535
  165   2HB   ALA  22          3HB       ALA  22  -8.089   9.391   9.391
  166   3HB   ALA  22          1HB       ALA  22  -6.383   9.762   9.762
  167    H    ARG  23           H        ARG  23  -9.601  11.651  11.651
  168    HA   ARG  23           HA       ARG  23  -8.235  14.022  14.022
  169   1HB   ARG  23          1HB       ARG  23 -10.273  12.861  12.861
  170   2HB   ARG  23          2HB       ARG  23 -11.260  13.544  13.544
  171   1HG   ARG  23          1HG       ARG  23 -10.628  15.874  15.874
  172   2HG   ARG  23          2HG       ARG  23  -9.609  15.156  15.156
  173   1HD   ARG  23          1HD       ARG  23 -11.668  14.003  14.003
  174   2HD   ARG  23          2HD       ARG  23 -12.671  14.764  14.764
  175    HE   ARG  23           HE       ARG  23 -11.162  16.846  16.846
  176   1HH1  ARG  23          1HH1      ARG  23 -13.915  14.645  14.645
  177   2HH1  ARG  23          2HH1      ARG  23 -14.631  15.795  15.795
  178   1HH2  ARG  23          1HH2      ARG  23 -12.073  18.079  18.079
  179   2HH2  ARG  23          2HH2      ARG  23 -13.656  17.607  17.607
  180    H    GLU  24           H        GLU  24 -10.393  13.660  13.660
  181    HA   GLU  24           HA       GLU  24 -10.302  16.403  16.403
  182   1HB   GLU  24          1HB       GLU  24 -11.886  14.558  14.558
  183   2HB   GLU  24          2HB       GLU  24 -10.558  13.768  13.768
  184   1HG   GLU  24          1HG       GLU  24 -10.316  15.870  15.870
  185   2HG   GLU  24          2HG       GLU  24 -11.701  16.569  16.569
  186    H    LEU  25           H        LEU  25  -8.040  13.662  13.662
  187    HA   LEU  25           HA       LEU  25  -6.281  15.230  15.230
  188   1HB   LEU  25          2HB       LEU  25  -5.814  12.607  12.607
  189   2HB   LEU  25          1HB       LEU  25  -4.607  13.300  13.300
  190    HG   LEU  25           HG       LEU  25  -7.429  12.606  12.606
  191   1HD1  LEU  25          2HD1      LEU  25  -6.374  10.540  10.540
  192   2HD1  LEU  25          3HD1      LEU  25  -4.914  10.829  10.829
  193   3HD1  LEU  25          1HD1      LEU  25  -6.478  10.487  10.487
  194   1HD2  LEU  25          2HD2      LEU  25  -4.788  13.108  13.108
  195   2HD2  LEU  25          3HD2      LEU  25  -6.192  14.201  14.201
  196   3HD2  LEU  25          1HD2      LEU  25  -6.337  12.617  12.617
  197    H    ILE  26           H        ILE  26  -6.135  14.617  14.617
  198    HA   ILE  26           HA       ILE  26  -3.535  15.899  15.899
  199    HB   ILE  26           HB       ILE  26  -5.856  15.292  15.292
  200   1HG1  ILE  26          1HG1      ILE  26  -3.014  14.047  14.047
  201   2HG1  ILE  26          2HG1      ILE  26  -4.325  13.415  13.415
  202   1HG2  ILE  26          3HG2      ILE  26  -3.100  16.405  16.405
  203   2HG2  ILE  26          1HG2      ILE  26  -4.324  15.731  15.731
  204   3HG2  ILE  26          2HG2      ILE  26  -4.676  17.206  17.206
  205   1HD1  ILE  26          2HD1      ILE  26  -5.681  12.933  12.933
  206   2HD1  ILE  26          3HD1      ILE  26  -4.289  13.452  13.452
  207   3HD1  ILE  26          1HD1      ILE  26  -4.131  12.050  12.050
  208    H    SER  27           H        SER  27  -6.826  17.375  17.375
  209    HA   SER  27           HA       SER  27  -5.985  20.073  20.073
  210   1HB   SER  27          1HB       SER  27  -8.030  20.922  20.922
  211   2HB   SER  27          2HB       SER  27  -8.355  19.482  19.482
  212    HG   SER  27           HG       SER  27  -9.400  19.466  19.466
  213    H    ARG  28           H        ARG  28  -5.853  18.547  18.547
  214    HA   ARG  28           HA       ARG  28  -4.629  20.944  20.944
  215   1HB   ARG  28          1HB       ARG  28  -4.646  18.021  18.021
  216   2HB   ARG  28          2HB       ARG  28  -4.003  19.390  19.390
  217   1HG   ARG  28          1HG       ARG  28  -6.005  19.172  19.172
  218   2HG   ARG  28          2HG       ARG  28  -6.380  20.463  20.463
  219   1HD   ARG  28          1HD       ARG  28  -7.495  18.772  18.772
  220   2HD   ARG  28          2HD       ARG  28  -7.043  17.465  17.465
  221    HE   ARG  28           HE       ARG  28  -8.482  18.661  18.661
  222   1HH1  ARG  28          1HH1      ARG  28  -9.298  18.980  18.980
  223   2HH1  ARG  28          2HH1      ARG  28 -11.065  19.210  19.210
  224   1HH2  ARG  28          1HH2      ARG  28 -10.508  18.930  18.930
  225   2HH2  ARG  28          2HH2      ARG  28 -11.700  19.183  19.183
  226    H    ILE  29           H        ILE  29  -3.317  17.831  17.831
  227    HA   ILE  29           HA       ILE  29  -0.505  18.428  18.428
  228    HB   ILE  29           HB       ILE  29  -1.845  16.206  16.206
  229   1HG1  ILE  29          1HG1      ILE  29  -2.435  16.014  16.014
  230   2HG1  ILE  29          2HG1      ILE  29  -1.259  14.782  14.782
  231   1HG2  ILE  29          2HG2      ILE  29   0.460  16.314  16.314
  232   2HG2  ILE  29          3HG2      ILE  29   1.132  16.233  16.233
  233   3HG2  ILE  29          1HG2      ILE  29   0.219  14.861  14.861
  234   1HD1  ILE  29          2HD1      ILE  29   0.552  16.281  16.281
  235   2HD1  ILE  29          3HD1      ILE  29  -0.769  17.373  17.373
  236   3HD1  ILE  29          1HD1      ILE  29  -0.733  15.699  15.699
  237    H    LYS  30           H        LYS  30  -1.727  17.698  17.698
  238    HA   LYS  30           HA       LYS  30  -1.187  18.394  18.394
  239   1HB   LYS  30          1HB       LYS  30  -2.210  20.602  20.602
  240   2HB   LYS  30          2HB       LYS  30  -0.605  21.243  21.243
  241   1HG   LYS  30          1HG       LYS  30  -1.865  21.923  21.923
  242   2HG   LYS  30          2HG       LYS  30  -0.805  20.660  20.660
  243   1HD   LYS  30          1HD       LYS  30  -2.746  18.987  18.987
  244   2HD   LYS  30          2HD       LYS  30  -3.750  20.244  20.244
  245   1HE   LYS  30          1HE       LYS  30  -4.390  20.055  20.055
  246   2HE   LYS  30          2HE       LYS  30  -3.535  21.590  21.590
  247   1HZ   LYS  30          1HZ       LYS  30  -2.365  19.042  19.042
  248   2HZ   LYS  30          2HZ       LYS  30  -2.827  20.337  20.337
  249   3HZ   LYS  30          3HZ       LYS  30  -1.546  20.471  20.471
  250    H    GLN  31           H        GLN  31   0.595  16.932  16.932
  251    HA   GLN  31           HA       GLN  31   2.710  16.195  16.195
  252   1HB   GLN  31          1HB       GLN  31   2.415  17.160  17.160
  253   2HB   GLN  31          2HB       GLN  31   3.514  18.434  18.434
  254   1HG   GLN  31          1HG       GLN  31   5.165  16.515  16.515
  255   2HG   GLN  31          2HG       GLN  31   4.054  15.389  15.389
  256   1HE2  GLN  31          2HE2      GLN  31   6.515  17.563  17.563
  257   2HE2  GLN  31          1HE2      GLN  31   6.473  17.804  17.804
  258    H    SER  32           H        SER  32   2.408  17.392  17.392
  259    HA   SER  32           HA       SER  32   4.446  19.025  19.025
  260   1HB   SER  32          1HB       SER  32   3.451  16.528  16.528
  261   2HB   SER  32          2HB       SER  32   4.355  17.846  17.846
  262    HG   SER  32           HG       SER  32   1.887  18.097  18.097
  263    H    GLU  33           H        GLU  33   5.301  15.593  15.593
  264    HA   GLU  33           HA       GLU  33   7.144  14.419  14.419
  265   1HB   GLU  33          1HB       GLU  33   8.224  16.473  16.473
  266   2HB   GLU  33          2HB       GLU  33   8.992  16.803  16.803
  267   1HG   GLU  33          1HG       GLU  33  10.076  14.494  14.494
  268   2HG   GLU  33          2HG       GLU  33   9.224  14.148  14.148
  269    H    LEU  34           H        LEU  34   5.818  15.660  15.660
  270    HA   LEU  34           HA       LEU  34   7.295  13.834  13.834
  271   1HB   LEU  34          1HB       LEU  34   6.682  16.128  16.128
  272   2HB   LEU  34          2HB       LEU  34   5.006  15.791  15.791
  273    HG   LEU  34           HG       LEU  34   5.190  13.688  13.688
  274   1HD1  LEU  34          3HD1      LEU  34   7.849  15.005  15.005
  275   2HD1  LEU  34          1HD1      LEU  34   7.031  13.656  13.656
  276   3HD1  LEU  34          2HD1      LEU  34   7.683  13.424  13.424
  277   1HD2  LEU  34          3HD2      LEU  34   4.061  15.776  15.776
  278   2HD2  LEU  34          1HD2      LEU  34   4.904  15.005  15.005
  279   3HD2  LEU  34          2HD2      LEU  34   5.609  16.445  16.445
  280    H    SER  35           H        SER  35   4.261  14.818  14.818
  281    HA   SER  35           HA       SER  35   3.381  11.924  11.924
  282   1HB   SER  35          1HB       SER  35   1.529  14.317  14.317
  283   2HB   SER  35          2HB       SER  35   1.009  12.719  12.719
  284    HG   SER  35           HG       SER  35   0.797  12.937  12.937
  285    H    ALA  36           H        ALA  36   3.291  11.484  11.484
  286    HA   ALA  36           HA       ALA  36   3.260  11.727  11.727
  287   1HB   ALA  36          2HB       ALA  36   3.538  14.153  14.153
  288   2HB   ALA  36          3HB       ALA  36   5.152  14.074  14.074
  289   3HB   ALA  36          1HB       ALA  36   4.844  13.257  13.257
  290    H    LYS  37           H        LYS  37   5.674  12.121  12.121
  291    HA   LYS  37           HA       LYS  37   7.205   9.688   9.688
  292   1HB   LYS  37          1HB       LYS  37   7.392  11.253  11.253
  293   2HB   LYS  37          2HB       LYS  37   8.218   9.733   9.733
  294   1HG   LYS  37          1HG       LYS  37   8.664  12.219  12.219
  295   2HG   LYS  37          2HG       LYS  37   9.622  11.796  11.796
  296   1HD   LYS  37          1HD       LYS  37  10.319   9.610   9.610
  297   2HD   LYS  37          2HD       LYS  37   9.363  10.032  10.032
  298   1HE   LYS  37          1HE       LYS  37  11.631  10.556  10.556
  299   2HE   LYS  37          2HE       LYS  37  10.790  12.094  12.094
  300   1HZ   LYS  37          3HZ       LYS  37  12.548  10.853  10.853
  301   2HZ   LYS  37          1HZ       LYS  37  12.945  12.128  12.128
  302   3HZ   LYS  37          2HZ       LYS  37  11.767  12.297  12.297
  303    H    MET  38           H        MET  38   4.499  10.409  10.409
  304    HA   MET  38           HA       MET  38   4.253   7.526   7.526
  305   1HB   MET  38          1HB       MET  38   2.343   9.931   9.931
  306   2HB   MET  38          2HB       MET  38   2.063   8.340   8.340
  307   1HG   MET  38          1HG       MET  38   4.406  10.147  10.147
  308   2HG   MET  38          2HG       MET  38   2.978   9.820   9.820
  309   1HE   MET  38          3HE       MET  38   2.508   7.510   7.510
  310   2HE   MET  38          2HE       MET  38   2.527   6.525   6.525
  311   3HE   MET  38          1HE       MET  38   3.547   6.058   6.058
  312    H    ARG  39           H        ARG  39   3.485   8.793   8.793
  313    HA   ARG  39           HA       ARG  39   1.405   6.630   6.630
  314   1HB   ARG  39          1HB       ARG  39   0.000   8.114   8.114
  315   2HB   ARG  39          2HB       ARG  39  -0.095   8.360   8.360
  316   1HG   ARG  39          1HG       ARG  39   1.331  10.387  10.387
  317   2HG   ARG  39          2HG       ARG  39   1.528  10.179  10.179
  318   1HD   ARG  39          1HD       ARG  39  -0.958  10.500  10.500
  319   2HD   ARG  39          2HD       ARG  39  -1.190  10.610  10.610
  320    HE   ARG  39           HE       ARG  39   0.091  12.770  12.770
  321   1HH1  ARG  39          1HH1      ARG  39  -0.674  11.700  11.700
  322   2HH1  ARG  39          2HH1      ARG  39  -0.370  13.400  13.400
  323   1HH2  ARG  39          1HH2      ARG  39   0.395  14.644  14.644
  324   2HH2  ARG  39          2HH2      ARG  39   0.194  14.949  14.949
  325    H    GLU  40           H        GLU  40   3.364   8.977   8.977
  326    HA   GLU  40           HA       GLU  40   3.456   7.107   7.107
  327   1HB   GLU  40          1HB       GLU  40   5.048   9.651   9.651
  328   2HB   GLU  40          2HB       GLU  40   5.303   8.620   8.620
  329   1HG   GLU  40          1HG       GLU  40   3.915  10.323  10.323
  330   2HG   GLU  40          2HG       GLU  40   2.895   8.903   8.903
  331    H    TRP  41           H        TRP  41   6.044   8.108   8.108
  332    HA   TRP  41           HA       TRP  41   7.849   5.851   5.851
  333   1HB   TRP  41          1HB       TRP  41   8.643   7.995   7.995
  334   2HB   TRP  41          2HB       TRP  41   7.723   7.702   7.702
  335    HD1  TRP  41           HD1      TRP  41  11.108   6.935   6.935
  336    HE1  TRP  41           HE1      TRP  41  12.702   5.723   5.723
  337    HE3  TRP  41           HE3      TRP  41   7.502   5.812   5.812
  338    HZ2  TRP  41           HZ2      TRP  41  12.262   4.515   4.515
  339    HZ3  TRP  41           HZ3      TRP  41   8.146   4.630   4.630
  340    HH2  TRP  41           HH2      TRP  41  10.488   3.989   3.989
  341    H    PHE  42           H        PHE  42   5.153   6.122   6.122
  342    HA   PHE  42           HA       PHE  42   5.788   3.680   3.680
  343   1HB   PHE  42          1HB       PHE  42   4.083   5.525   5.525
  344   2HB   PHE  42          2HB       PHE  42   2.974   4.839   4.839
  345    HD1  PHE  42           HD2      PHE  42   4.785   4.346   4.346
  346    HD2  PHE  42           HD1      PHE  42   1.765   2.732   2.732
  347    HE1  PHE  42           HE2      PHE  42   3.926   2.954   2.954
  348    HE2  PHE  42           HE1      PHE  42   0.925   1.343   1.343
  349    HZ   PHE  42           HZ       PHE  42   1.990   1.464   1.464
  350    H    SER  43           H        SER  43   4.047   4.180   4.180
  351    HA   SER  43           HA       SER  43   3.028   1.385   1.385
  352   1HB   SER  43          1HB       SER  43   1.920   3.342   3.342
  353   2HB   SER  43          2HB       SER  43   3.365   3.629   3.629
  354    HG   SER  43           HG       SER  43   1.811   1.249   1.249
  355    H    GLU  44           H        GLU  44   5.842   3.213   3.213
  356    HA   GLU  44           HA       GLU  44   7.161   0.954   0.954
  357   1HB   GLU  44          1HB       GLU  44   8.159   3.667   3.667
  358   2HB   GLU  44          2HB       GLU  44   9.280   2.530   2.530
  359   1HG   GLU  44          1HG       GLU  44   6.771   3.451   3.451
  360   2HG   GLU  44          2HG       GLU  44   8.304   4.314   4.314
  361    H    THR  45           H        THR  45   7.352   2.086   2.086
  362    HA   THR  45           HA       THR  45   9.421  -0.097  -0.097
  363    HB   THR  45           HB       THR  45   9.361   2.735   2.735
  364    HG1  THR  45           HG1      THR  45  11.127   3.119   3.119
  365   1HG2  THR  45          1HG2      THR  45  11.638   0.641   0.641
  366   2HG2  THR  45          2HG2      THR  45  11.821   2.343   2.343
  367   3HG2  THR  45          3HG2      THR  45  10.727   1.277   1.277
  368    H    PHE  46           H        PHE  46   7.076  -0.712  -0.712
  369    HA   PHE  46           HA       PHE  46   7.166  -1.003  -1.003
  370   1HB   PHE  46          1HB       PHE  46   5.427   0.749   0.749
  371   2HB   PHE  46          2HB       PHE  46   4.488  -0.361  -0.361
  372    HD1  PHE  46           HD2      PHE  46   5.949   0.095   0.095
  373    HD2  PHE  46           HD1      PHE  46   2.838  -1.730  -1.730
  374    HE1  PHE  46           HE2      PHE  46   4.763  -0.558  -0.558
  375    HE2  PHE  46           HE1      PHE  46   1.665  -2.365  -2.365
  376    HZ   PHE  46           HZ       PHE  46   2.618  -1.779  -1.779
  377    H    GLN  47           H        GLN  47   5.176  -2.310  -2.310
  378    HA   GLN  47           HA       GLN  47   5.382  -5.101  -5.101
  379   1HB   GLN  47          1HB       GLN  47   4.311  -4.116  -4.116
  380   2HB   GLN  47          2HB       GLN  47   4.269  -5.779  -5.779
  381   1HG   GLN  47          1HG       GLN  47   2.771  -3.426  -3.426
  382   2HG   GLN  47          2HG       GLN  47   2.082  -4.667  -4.667
  383   1HE2  GLN  47          2HE2      GLN  47   1.896  -5.446  -5.446
  384   2HE2  GLN  47          1HE2      GLN  47   2.003  -3.805  -3.805
  385    H    LYS  48           H        LYS  48   7.177  -3.207  -3.207
  386    HA   LYS  48           HA       LYS  48   8.876  -5.354  -5.354
  387   1HB   LYS  48          1HB       LYS  48   8.630  -3.032  -3.032
  388   2HB   LYS  48          2HB       LYS  48   9.497  -2.368  -2.368
  389   1HG   LYS  48          1HG       LYS  48  11.546  -3.725  -3.725
  390   2HG   LYS  48          2HG       LYS  48  10.641  -4.367  -4.367
  391   1HD   LYS  48          1HD       LYS  48  10.306  -2.010  -2.010
  392   2HD   LYS  48          2HD       LYS  48  11.199  -1.373  -1.373
  393   1HE   LYS  48          1HE       LYS  48  13.271  -2.649  -2.649
  394   2HE   LYS  48          2HE       LYS  48  12.383  -3.296  -3.296
  395   1HZ   LYS  48          2HZ       LYS  48  12.065  -1.005  -1.005
  396   2HZ   LYS  48          3HZ       LYS  48  12.892  -0.402  -0.402
  397   3HZ   LYS  48          1HZ       LYS  48  13.671  -1.343  -1.343
  398    H    VAL  49           H        VAL  49   9.264  -3.268  -3.268
  399    HA   VAL  49           HA       VAL  49  11.763  -4.505  -4.505
  400    HB   VAL  49           HB       VAL  49   9.689  -3.385  -3.385
  401   1HG1  VAL  49          3HG1      VAL  49  11.687  -4.417  -4.417
  402   2HG1  VAL  49          1HG1      VAL  49  12.774  -3.362  -3.362
  403   3HG1  VAL  49          2HG1      VAL  49  11.674  -2.674  -2.674
  404   1HG2  VAL  49          2HG2      VAL  49   9.919  -1.565  -1.565
  405   2HG2  VAL  49          3HG2      VAL  49  10.679  -1.068  -1.068
  406   3HG2  VAL  49          1HG2      VAL  49  11.691  -1.610  -1.610
  407    H    LYS  50           H        LYS  50   8.326  -5.293  -5.293
  408    HA   LYS  50           HA       LYS  50   8.982  -7.323  -7.323
  409   1HB   LYS  50          1HB       LYS  50   6.391  -6.947  -6.947
  410   2HB   LYS  50          2HB       LYS  50   6.544  -8.142  -8.142
  411   1HG   LYS  50          1HG       LYS  50   6.956  -6.411  -6.411
  412   2HG   LYS  50          2HG       LYS  50   6.973  -5.138  -5.138
  413   1HD   LYS  50          1HD       LYS  50   4.585  -5.721  -5.721
  414   2HD   LYS  50          2HD       LYS  50   4.530  -6.920  -6.920
  415   1HE   LYS  50          1HE       LYS  50   5.026  -3.888  -3.888
  416   2HE   LYS  50          2HE       LYS  50   3.457  -4.677  -4.677
  417   1HZ   LYS  50          1HZ       LYS  50   4.323  -6.014  -6.014
  418   2HZ   LYS  50          2HZ       LYS  50   5.801  -5.286  -5.286
  419   3HZ   LYS  50          3HZ       LYS  50   4.474  -4.401  -4.401
  420    H    GLU  51           H        GLU  51   8.265  -7.706  -7.706
  421    HA   GLU  51           HA       GLU  51   8.881 -10.602 -10.602
  422   1HB   GLU  51          1HB       GLU  51   9.079  -8.418  -8.418
  423   2HB   GLU  51          2HB       GLU  51   9.288 -10.127 -10.127
  424   1HG   GLU  51          1HG       GLU  51   6.674  -8.826  -8.826
  425   2HG   GLU  51          2HG       GLU  51   7.040  -9.286  -9.286
  426    H    LYS  52           H        LYS  52  10.966  -7.744  -7.744
  427    HA   LYS  52           HA       LYS  52  13.437  -9.531  -9.531
  428   1HB   LYS  52          1HB       LYS  52  13.263  -6.535  -6.535
  429   2HB   LYS  52          2HB       LYS  52  14.658  -7.564  -7.564
  430   1HG   LYS  52          1HG       LYS  52  12.032  -7.777  -7.777
  431   2HG   LYS  52          2HG       LYS  52  13.517  -7.011  -7.011
  432   1HD   LYS  52          1HD       LYS  52  14.732  -9.230  -9.230
  433   2HD   LYS  52          2HD       LYS  52  13.243 -10.016 -10.016
  434   1HE   LYS  52          1HE       LYS  52  12.093  -9.348  -9.348
  435   2HE   LYS  52          2HE       LYS  52  13.583  -8.566  -8.566
  436   1HZ   LYS  52          1HZ       LYS  52  14.697 -10.735 -10.735
  437   2HZ   LYS  52          2HZ       LYS  52  13.307 -11.464 -11.464
  438   3HZ   LYS  52          3HZ       LYS  52  13.385 -10.810 -10.810
  439    H    LEU  53           H        LEU  53  12.235  -9.331  -9.331
  440    HA   LEU  53           HA       LEU  53  13.875  -7.725  -7.725
  441   1HB   LEU  53          1HB       LEU  53  12.382 -10.340 -10.340
  442   2HB   LEU  53          2HB       LEU  53  13.217  -9.541  -9.541
  443    HG   LEU  53           HG       LEU  53  10.956  -8.233  -8.233
  444   1HD1  LEU  53          3HD2      LEU  53  10.116 -10.207 -10.207
  445   2HD1  LEU  53          1HD2      LEU  53  10.816  -9.572  -9.572
  446   3HD1  LEU  53          2HD2      LEU  53   9.492  -8.700  -8.700
  447   1HD2  LEU  53          1HD1      LEU  53  12.278  -7.307  -7.307
  448   2HD2  LEU  53          2HD1      LEU  53  12.419  -6.498  -6.498
  449   3HD2  LEU  53          3HD1      LEU  53  10.851  -6.562  -6.562
  450    H    LYS  54           H        LYS  54  16.197  -8.047  -8.047
  451    HA   LYS  54           HA       LYS  54  17.375 -10.648 -10.648
  452   1HB   LYS  54          1HB       LYS  54  18.896 -10.861 -10.861
  453   2HB   LYS  54          2HB       LYS  54  17.318 -10.722 -10.722
  454   1HG   LYS  54          1HG       LYS  54  19.392  -8.429  -8.429
  455   2HG   LYS  54          2HG       LYS  54  19.259  -9.598  -9.598
  456   1HD   LYS  54          1HD       LYS  54  16.923  -8.829  -8.829
  457   2HD   LYS  54          2HD       LYS  54  17.027  -7.632  -7.632
  458   1HE   LYS  54          1HE       LYS  54  19.019  -6.550  -6.550
  459   2HE   LYS  54          2HE       LYS  54  18.870  -7.726  -7.726
  460   1HZ   LYS  54          1HZ       LYS  54  16.620  -6.878  -6.878
  461   2HZ   LYS  54          2HZ       LYS  54  16.759  -5.779  -5.779
  462   3HZ   LYS  54          3HZ       LYS  54  17.734  -5.661  -5.661
  463    H    ILE  55           H        ILE  55  19.441 -10.616 -10.616
  464    HA   ILE  55           HA       ILE  55  20.201  -8.202  -8.202
  465    HB   ILE  55           HB       ILE  55  22.083  -9.310  -9.310
  466   1HG1  ILE  55          1HG1      ILE  55  23.025 -10.763 -10.763
  467   2HG1  ILE  55          2HG1      ILE  55  22.647 -11.661 -11.661
  468   1HG2  ILE  55          2HG2      ILE  55  19.885  -9.513  -9.513
  469   2HG2  ILE  55          3HG2      ILE  55  19.557 -11.029 -11.029
  470   3HG2  ILE  55          1HG2      ILE  55  20.888 -10.942 -10.942
  471   1HD1  ILE  55          3HD1      ILE  55  20.539 -12.578 -12.578
  472   2HD1  ILE  55          1HD1      ILE  55  21.094 -11.762 -11.762
  473   3HD1  ILE  55          2HD1      ILE  55  22.086 -13.041 -13.041
  474    H    ASP  56           H        ASP  56  21.961  -9.814  -9.814
  475    HA   ASP  56           HA       ASP  56  23.388  -7.134  -7.134
  476   1HB   ASP  56          1HB       ASP  56  24.427  -9.992  -9.992
  477   2HB   ASP  56          2HB       ASP  56  25.196  -8.564  -8.564
  478    H    SER  57           H        SER  57  23.353  -9.785  -9.785
  479    HA   SER  57           HA       SER  57  21.145  -8.473  -8.473
  480   1HB   SER  57          1HB       SER  57  23.252  -7.214  -7.214
  481   2HB   SER  57          2HB       SER  57  24.011  -8.727  -8.727
  482    HG   SER  57           HG       SER  57  23.026  -7.597  -7.597

  Start of MODEL   14
    1   1H    THR   1          2H        THR   1 -42.086  -6.060  -6.060
    2   2H    THR   1          3H        THR   1 -41.986  -5.314  -5.314
    3   3H    THR   1          1H        THR   1 -43.459  -5.756  -5.756
    4    HA   THR   1           HA       THR   1 -43.281  -4.294  -4.294
    5    HB   THR   1           HB       THR   1 -44.484  -3.590  -3.590
    6    HG1  THR   1           HG1      THR   1 -44.516  -1.427  -1.427
    7   1HG2  THR   1          2HG2      THR   1 -42.674  -3.304  -3.304
    8   2HG2  THR   1          3HG2      THR   1 -42.033  -1.905  -1.905
    9   3HG2  THR   1          1HG2      THR   1 -43.660  -1.838  -1.838
   10    HA   PRO   2           HA       PRO   2 -39.323  -1.695  -1.695
   11   1HB   PRO   2          1HB       PRO   2 -37.000  -2.395  -2.395
   12   2HB   PRO   2          2HB       PRO   2 -38.336  -1.599  -1.599
   13   1HG   PRO   2          1HG       PRO   2 -37.673  -4.560  -4.560
   14   2HG   PRO   2          2HG       PRO   2 -38.154  -3.537  -3.537
   15   1HD   PRO   2          1HD       PRO   2 -39.922  -5.192  -5.192
   16   2HD   PRO   2          2HD       PRO   2 -40.480  -3.729  -3.729
   17    H    ASP   3           H        ASP   3 -38.967  -2.049  -2.049
   18    HA   ASP   3           HA       ASP   3 -37.858  -4.656  -4.656
   19   1HB   ASP   3          1HB       ASP   3 -38.950  -2.187  -2.187
   20   2HB   ASP   3          2HB       ASP   3 -38.312  -3.617  -3.617
   21    H    VAL   4           H        VAL   4 -35.833  -4.933  -4.933
   22    HA   VAL   4           HA       VAL   4 -33.880  -2.580  -2.580
   23    HB   VAL   4           HB       VAL   4 -33.725  -4.910  -4.910
   24   1HG1  VAL   4          1HG1      VAL   4 -31.429  -3.034  -3.034
   25   2HG1  VAL   4          2HG1      VAL   4 -31.432  -4.108  -4.108
   26   3HG1  VAL   4          3HG1      VAL   4 -31.470  -4.798  -4.798
   27   1HG2  VAL   4          2HG2      VAL   4 -34.935  -2.879  -2.879
   28   2HG2  VAL   4          3HG2      VAL   4 -33.401  -3.077  -3.077
   29   3HG2  VAL   4          1HG2      VAL   4 -33.546  -1.855  -1.855
   30    H    SER   5           H        SER   5 -33.448  -6.197  -6.197
   31    HA   SER   5           HA       SER   5 -32.178  -7.354  -7.354
   32   1HB   SER   5          1HB       SER   5 -34.404  -7.149  -7.149
   33   2HB   SER   5          2HB       SER   5 -33.824  -5.757  -5.757
   34    HG   SER   5           HG       SER   5 -33.623  -7.720  -7.720
   35    H    SER   6           H        SER   6 -30.369  -6.023  -6.023
   36    HA   SER   6           HA       SER   6 -28.339  -4.895  -4.895
   37   1HB   SER   6          1HB       SER   6 -27.793  -6.636  -6.636
   38   2HB   SER   6          2HB       SER   6 -28.331  -5.612  -5.612
   39    HG   SER   6           HG       SER   6 -26.312  -5.000  -5.000
   40    H    ALA   7           H        ALA   7 -29.943  -3.086  -3.086
   41    HA   ALA   7           HA       ALA   7 -29.149  -0.696  -0.696
   42   1HB   ALA   7          2HB       ALA   7 -31.491  -1.198  -1.198
   43   2HB   ALA   7          3HB       ALA   7 -32.026  -1.134  -1.134
   44   3HB   ALA   7          1HB       ALA   7 -31.406   0.332   0.332
   45    H    LEU   8           H        LEU   8 -31.101  -1.017  -1.017
   46    HA   LEU   8           HA       LEU   8 -28.918   0.466   0.466
   47   1HB   LEU   8          1HB       LEU   8 -31.910  -0.102  -0.102
   48   2HB   LEU   8          2HB       LEU   8 -30.858   0.358   0.358
   49    HG   LEU   8           HG       LEU   8 -30.246   2.520   2.520
   50   1HD1  LEU   8          2HD1      LEU   8 -32.564   1.797   1.797
   51   2HD1  LEU   8          3HD1      LEU   8 -31.835   3.416   3.416
   52   3HD1  LEU   8          1HD1      LEU   8 -30.861   2.072   2.072
   53   1HD2  LEU   8          3HD2      LEU   8 -31.923   2.433   2.433
   54   2HD2  LEU   8          1HD2      LEU   8 -32.359   3.678   3.678
   55   3HD2  LEU   8          2HD2      LEU   8 -33.232   2.126   2.126
   56    H    ASP   9           H        ASP   9 -28.455  -1.964  -1.964
   57    HA   ASP   9           HA       ASP   9 -28.881  -4.054  -4.054
   58   1HB   ASP   9          1HB       ASP   9 -29.001  -4.173  -4.173
   59   2HB   ASP   9          2HB       ASP   9 -27.273  -4.418  -4.418
   60    H    LYS  10           H        LYS  10 -27.479  -2.241  -2.241
   61    HA   LYS  10           HA       LYS  10 -25.734  -1.603  -1.603
   62   1HB   LYS  10          1HB       LYS  10 -24.919  -4.557  -4.557
   63   2HB   LYS  10          2HB       LYS  10 -24.207  -3.315  -3.315
   64   1HG   LYS  10          1HG       LYS  10 -26.426  -2.840  -2.840
   65   2HG   LYS  10          2HG       LYS  10 -27.187  -4.098  -4.098
   66   1HD   LYS  10          1HD       LYS  10 -24.883  -4.567  -4.567
   67   2HD   LYS  10          2HD       LYS  10 -26.594  -4.745  -4.745
   68   1HE   LYS  10          1HE       LYS  10 -26.808  -6.576  -6.576
   69   2HE   LYS  10          2HE       LYS  10 -25.079  -6.437  -6.437
   70   1HZ   LYS  10          3HZ       LYS  10 -26.229  -7.170  -7.170
   71   2HZ   LYS  10          1HZ       LYS  10 -25.516  -8.207  -8.207
   72   3HZ   LYS  10          2HZ       LYS  10 -24.615  -7.036  -7.036
   73    H    LEU  11           H        LEU  11 -25.388  -0.760  -0.760
   74    HA   LEU  11           HA       LEU  11 -24.182  -0.544  -0.544
   75   1HB   LEU  11          1HB       LEU  11 -22.232   0.740   0.740
   76   2HB   LEU  11          2HB       LEU  11 -23.423   1.322   1.322
   77    HG   LEU  11           HG       LEU  11 -21.160  -0.478  -0.478
   78   1HD1  LEU  11          3HD2      LEU  11 -20.022   1.255   1.255
   79   2HD1  LEU  11          1HD2      LEU  11 -20.866   2.550   2.550
   80   3HD1  LEU  11          2HD2      LEU  11 -19.692   1.505   1.505
   81   1HD2  LEU  11          2HD1      LEU  11 -22.685   1.874   1.874
   82   2HD2  LEU  11          3HD1      LEU  11 -22.958   0.152   0.152
   83   3HD2  LEU  11          1HD1      LEU  11 -21.415   0.892   0.892
   84    H    LYS  12           H        LYS  12 -24.354  -3.054  -3.054
   85    HA   LYS  12           HA       LYS  12 -21.727  -4.358  -4.358
   86   1HB   LYS  12          1HB       LYS  12 -22.757  -6.221  -6.221
   87   2HB   LYS  12          2HB       LYS  12 -23.622  -5.719  -5.719
   88   1HG   LYS  12          1HG       LYS  12 -25.361  -4.600  -4.600
   89   2HG   LYS  12          2HG       LYS  12 -24.552  -5.349  -5.349
   90   1HD   LYS  12          1HD       LYS  12 -25.653  -6.898  -6.898
   91   2HD   LYS  12          2HD       LYS  12 -26.595  -6.576  -6.576
   92   1HE   LYS  12          1HE       LYS  12 -23.986  -8.247  -8.247
   93   2HE   LYS  12          2HE       LYS  12 -25.615  -8.912  -8.912
   94   1HZ   LYS  12          1HZ       LYS  12 -26.054  -7.942  -7.942
   95   2HZ   LYS  12          2HZ       LYS  12 -24.530  -7.309  -7.309
   96   3HZ   LYS  12          3HZ       LYS  12 -24.744  -8.947  -8.947
   97    H    GLU  13           H        GLU  13 -23.942  -2.660  -2.660
   98    HA   GLU  13           HA       GLU  13 -22.268  -3.088  -3.088
   99   1HB   GLU  13          1HB       GLU  13 -23.940  -1.975  -1.975
  100   2HB   GLU  13          2HB       GLU  13 -24.694  -3.151  -3.151
  101   1HG   GLU  13          1HG       GLU  13 -24.800  -0.088  -0.088
  102   2HG   GLU  13          2HG       GLU  13 -26.096  -1.159  -1.159
  103    H    PHE  14           H        PHE  14 -23.114  -0.204  -0.204
  104    HA   PHE  14           HA       PHE  14 -21.168   1.563   1.563
  105   1HB   PHE  14          1HB       PHE  14 -23.152   2.482   2.482
  106   2HB   PHE  14          2HB       PHE  14 -22.571   1.916   1.916
  107    HD1  PHE  14           HD1      PHE  14 -21.673   4.221   4.221
  108    HD2  PHE  14           HD2      PHE  14 -21.050   3.314   3.314
  109    HE1  PHE  14           HE1      PHE  14 -20.362   6.288   6.288
  110    HE2  PHE  14           HE2      PHE  14 -19.744   5.383   5.383
  111    HZ   PHE  14           HZ       PHE  14 -19.391   6.870   6.870
  112    H    GLY  15           H        GLY  15 -20.915  -0.377  -0.377
  113   1HA   GLY  15          1HA       GLY  15 -18.219   0.331   0.331
  114   2HA   GLY  15          2HA       GLY  15 -18.912  -1.245  -1.245
  115    H    ASN  16           H        ASN  16 -19.167  -2.246  -2.246
  116    HA   ASN  16           HA       ASN  16 -16.450  -2.990  -2.990
  117   1HB   ASN  16          1HB       ASN  16 -18.607  -4.362  -4.362
  118   2HB   ASN  16          2HB       ASN  16 -19.063  -3.276  -3.276
  119   1HD2  ASN  16          1HD2      ASN  16 -16.153  -6.126  -6.126
  120   2HD2  ASN  16          2HD2      ASN  16 -16.698  -5.715  -5.715
  121    H    THR  17           H        THR  17 -18.612  -0.361  -0.361
  122    HA   THR  17           HA       THR  17 -17.126   0.226   0.226
  123    HB   THR  17           HB       THR  17 -18.967   2.037   2.037
  124    HG1  THR  17           HG1      THR  17 -19.860   0.090   0.090
  125   1HG2  THR  17          3HG2      THR  17 -18.131   2.289   2.289
  126   2HG2  THR  17          1HG2      THR  17 -19.396   3.247   3.247
  127   3HG2  THR  17          2HG2      THR  17 -17.695   3.418   3.418
  128    H    LEU  18           H        LEU  18 -16.953   2.083   2.083
  129    HA   LEU  18           HA       LEU  18 -14.364   3.264   3.264
  130   1HB   LEU  18          1HB       LEU  18 -14.362   4.729   4.729
  131   2HB   LEU  18          2HB       LEU  18 -16.039   4.626   4.626
  132    HG   LEU  18           HG       LEU  18 -14.739   3.268   3.268
  133   1HD1  LEU  18          3HD2      LEU  18 -14.796   5.770   5.770
  134   2HD1  LEU  18          1HD2      LEU  18 -16.549   5.774   5.774
  135   3HD1  LEU  18          2HD2      LEU  18 -15.906   5.026   5.026
  136   1HD2  LEU  18          1HD1      LEU  18 -17.739   3.441   3.441
  137   2HD2  LEU  18          2HD1      LEU  18 -16.746   1.963   1.963
  138   3HD2  LEU  18          3HD1      LEU  18 -17.086   2.859   2.859
  139    H    GLU  19           H        GLU  19 -14.771   0.375   0.375
  140    HA   GLU  19           HA       GLU  19 -12.165  -0.054  -0.054
  141   1HB   GLU  19          1HB       GLU  19 -14.095  -1.521  -1.521
  142   2HB   GLU  19          2HB       GLU  19 -14.139  -2.083  -2.083
  143   1HG   GLU  19          1HG       GLU  19 -11.792  -3.075  -3.075
  144   2HG   GLU  19          2HG       GLU  19 -11.859  -2.545  -2.545
  145    H    ASP  20           H        ASP  20 -13.585  -1.023  -1.023
  146    HA   ASP  20           HA       ASP  20 -11.031  -1.607  -1.607
  147   1HB   ASP  20          1HB       ASP  20 -13.278  -2.507  -2.507
  148   2HB   ASP  20          2HB       ASP  20 -13.746  -0.913  -0.913
  149    H    LYS  21           H        LYS  21 -13.075   1.415   1.415
  150    HA   LYS  21           HA       LYS  21 -11.293   2.929   2.929
  151   1HB   LYS  21          1HB       LYS  21 -13.733   3.480   3.480
  152   2HB   LYS  21          2HB       LYS  21 -12.945   4.149   4.149
  153   1HG   LYS  21          1HG       LYS  21 -13.425   5.972   5.972
  154   2HG   LYS  21          2HG       LYS  21 -11.689   5.766   5.766
  155   1HD   LYS  21          1HD       LYS  21 -12.239   6.191   6.191
  156   2HD   LYS  21          2HD       LYS  21 -11.870   4.487   4.487
  157   1HE   LYS  21          1HE       LYS  21 -14.761   5.614   5.614
  158   2HE   LYS  21          2HE       LYS  21 -13.902   5.308   5.308
  159   1HZ   LYS  21          1HZ       LYS  21 -13.726   2.961   2.961
  160   2HZ   LYS  21          2HZ       LYS  21 -14.532   3.217   3.217
  161   3HZ   LYS  21          3HZ       LYS  21 -15.305   3.446   3.446
  162    H    ALA  22           H        ALA  22 -11.159   2.732   2.732
  163    HA   ALA  22           HA       ALA  22  -8.744   4.401   4.401
  164   1HB   ALA  22          2HB       ALA  22 -10.270   3.969   3.969
  165   2HB   ALA  22          3HB       ALA  22  -9.842   2.236   2.236
  166   3HB   ALA  22          1HB       ALA  22  -8.614   3.464   3.464
  167    H    ARG  23           H        ARG  23  -9.091   0.924   0.924
  168    HA   ARG  23           HA       ARG  23  -6.265   0.181   0.181
  169   1HB   ARG  23          1HB       ARG  23  -8.231  -1.422  -1.422
  170   2HB   ARG  23          2HB       ARG  23  -8.339  -1.117  -1.117
  171   1HG   ARG  23          1HG       ARG  23  -5.961  -1.985  -1.985
  172   2HG   ARG  23          2HG       ARG  23  -5.892  -2.275  -2.275
  173   1HD   ARG  23          1HD       ARG  23  -7.876  -3.879  -3.879
  174   2HD   ARG  23          2HD       ARG  23  -7.896  -3.588  -3.588
  175    HE   ARG  23           HE       ARG  23  -5.207  -4.485  -4.485
  176   1HH1  ARG  23          1HH1      ARG  23  -8.480  -5.765  -5.765
  177   2HH1  ARG  23          2HH1      ARG  23  -7.786  -7.432  -7.432
  178   1HH2  ARG  23          1HH2      ARG  23  -4.529  -6.415  -6.415
  179   2HH2  ARG  23          2HH2      ARG  23  -5.700  -7.773  -7.773
  180    H    GLU  24           H        GLU  24  -8.044   1.195   1.195
  181    HA   GLU  24           HA       GLU  24  -5.627   1.365   1.365
  182   1HB   GLU  24          1HB       GLU  24  -8.415   2.630   2.630
  183   2HB   GLU  24          2HB       GLU  24  -7.093   2.848   2.848
  184   1HG   GLU  24          1HG       GLU  24  -8.239   1.150   1.150
  185   2HG   GLU  24          2HG       GLU  24  -6.922   0.284   0.284
  186    H    LEU  25           H        LEU  25  -7.221   3.826   3.826
  187    HA   LEU  25           HA       LEU  25  -5.540   6.071   6.071
  188   1HB   LEU  25          2HB       LEU  25  -7.271   5.802   5.802
  189   2HB   LEU  25          1HB       LEU  25  -6.400   7.266   7.266
  190    HG   LEU  25           HG       LEU  25  -8.490   6.067   6.067
  191   1HD1  LEU  25          3HD1      LEU  25  -9.585   6.607   6.607
  192   2HD1  LEU  25          1HD1      LEU  25  -8.911   8.256   8.256
  193   3HD1  LEU  25          2HD1      LEU  25 -10.100   7.741   7.741
  194   1HD2  LEU  25          3HD2      LEU  25  -6.911   7.674   7.674
  195   2HD2  LEU  25          1HD2      LEU  25  -8.540   8.356   8.356
  196   3HD2  LEU  25          2HD2      LEU  25  -7.271   8.908   8.908
  197    H    ILE  26           H        ILE  26  -5.323   4.024   4.024
  198    HA   ILE  26           HA       ILE  26  -2.905   5.420   5.420
  199    HB   ILE  26           HB       ILE  26  -4.206   2.829   2.829
  200   1HG1  ILE  26          1HG1      ILE  26  -4.064   5.619   5.619
  201   2HG1  ILE  26          2HG1      ILE  26  -5.404   5.132   5.132
  202   1HG2  ILE  26          3HG2      ILE  26  -1.832   4.310   4.310
  203   2HG2  ILE  26          1HG2      ILE  26  -2.736   2.965   2.965
  204   3HG2  ILE  26          2HG2      ILE  26  -1.781   2.682   2.682
  205   1HD1  ILE  26          1HD1      ILE  26  -5.929   3.202   3.202
  206   2HD1  ILE  26          2HD1      ILE  26  -4.653   3.774   3.774
  207   3HD1  ILE  26          3HD1      ILE  26  -6.062   4.807   4.807
  208    H    SER  27           H        SER  27  -3.292   2.187   2.187
  209    HA   SER  27           HA       SER  27  -0.310   1.956   1.956
  210   1HB   SER  27          1HB       SER  27  -2.571   0.141   0.141
  211   2HB   SER  27          2HB       SER  27  -0.844  -0.134  -0.134
  212    HG   SER  27           HG       SER  27  -0.589  -0.107  -0.107
  213    H    ARG  28           H        ARG  28   0.096   3.745   3.745
  214    HA   ARG  28           HA       ARG  28   0.089   4.490   4.490
  215   1HB   ARG  28          1HB       ARG  28  -2.357   4.223   4.223
  216   2HB   ARG  28          2HB       ARG  28  -2.633   5.280   5.280
  217   1HG   ARG  28          1HG       ARG  28  -1.629   7.195   7.195
  218   2HG   ARG  28          2HG       ARG  28  -1.432   6.099   6.099
  219   1HD   ARG  28          1HD       ARG  28  -4.114   6.801   6.801
  220   2HD   ARG  28          2HD       ARG  28  -3.507   7.571   7.571
  221    HE   ARG  28           HE       ARG  28  -3.518   4.947   4.947
  222   1HH1  ARG  28          1HH1      ARG  28  -6.051   6.752   6.752
  223   2HH1  ARG  28          2HH1      ARG  28  -7.341   5.718   5.718
  224   1HH2  ARG  28          1HH2      ARG  28  -5.066   3.839   3.839
  225   2HH2  ARG  28          2HH2      ARG  28  -6.819   4.181   4.181
  226    H    ILE  29           H        ILE  29  -1.265   5.942   5.942
  227    HA   ILE  29           HA       ILE  29   0.528   8.338   8.338
  228    HB   ILE  29           HB       ILE  29  -1.531   7.246   7.246
  229   1HG1  ILE  29          1HG1      ILE  29  -1.533   9.863   9.863
  230   2HG1  ILE  29          2HG1      ILE  29  -2.267   8.383   8.383
  231   1HG2  ILE  29          2HG2      ILE  29   0.155   8.395   8.395
  232   2HG2  ILE  29          3HG2      ILE  29   0.059   9.847   9.847
  233   3HG2  ILE  29          1HG2      ILE  29  -1.343   9.299   9.299
  234   1HD1  ILE  29          3HD1      ILE  29  -3.848   8.384   8.384
  235   2HD1  ILE  29          1HD1      ILE  29  -3.203   9.988   9.988
  236   3HD1  ILE  29          2HD1      ILE  29  -4.041   9.761   9.761
  237    H    LYS  30           H        LYS  30   0.338   6.089   6.089
  238    HA   LYS  30           HA       LYS  30   1.981   5.344   5.344
  239   1HB   LYS  30          1HB       LYS  30   3.647   4.763   4.763
  240   2HB   LYS  30          2HB       LYS  30   3.940   4.091   4.091
  241   1HG   LYS  30          1HG       LYS  30   1.506   3.534   3.534
  242   2HG   LYS  30          2HG       LYS  30   2.839   2.454   2.454
  243   1HD   LYS  30          1HD       LYS  30   0.775   3.342   3.342
  244   2HD   LYS  30          2HD       LYS  30   0.771   1.821   1.821
  245   1HE   LYS  30          1HE       LYS  30   2.993   1.179   1.179
  246   2HE   LYS  30          2HE       LYS  30   2.997   2.699   2.699
  247   1HZ   LYS  30          1HZ       LYS  30   0.913   2.010   2.010
  248   2HZ   LYS  30          2HZ       LYS  30   0.907   0.588   0.588
  249   3HZ   LYS  30          3HZ       LYS  30   2.100   0.891   0.891
  250    H    GLN  31           H        GLN  31   2.289   8.228   8.228
  251    HA   GLN  31           HA       GLN  31   4.998   8.844   8.844
  252   1HB   GLN  31          1HB       GLN  31   4.223   9.583   9.583
  253   2HB   GLN  31          2HB       GLN  31   5.557  10.347  10.347
  254   1HG   GLN  31          1HG       GLN  31   6.724   8.136   8.136
  255   2HG   GLN  31          2HG       GLN  31   5.419   7.334   7.334
  256   1HE2  GLN  31          2HE2      GLN  31   8.245   9.228   9.228
  257   2HE2  GLN  31          1HE2      GLN  31   8.275   9.229   9.229
  258    H    SER  32           H        SER  32   2.107  10.146  10.146
  259    HA   SER  32           HA       SER  32   2.508  12.779  12.779
  260   1HB   SER  32          1HB       SER  32   2.444  13.095  13.095
  261   2HB   SER  32          2HB       SER  32   0.819  12.400  12.400
  262    HG   SER  32           HG       SER  32   0.160  14.056  14.056
  263    H    GLU  33           H        GLU  33   1.566  12.395  12.395
  264    HA   GLU  33           HA       GLU  33  -0.036  12.197  12.197
  265   1HB   GLU  33          1HB       GLU  33  -1.471  13.577  13.577
  266   2HB   GLU  33          2HB       GLU  33  -2.308  12.088  12.088
  267   1HG   GLU  33          1HG       GLU  33  -3.039  11.833  11.833
  268   2HG   GLU  33          2HG       GLU  33  -2.120  13.271  13.271
  269    H    LEU  34           H        LEU  34   0.406   9.659   9.659
  270    HA   LEU  34           HA       LEU  34  -0.702   7.614   7.614
  271   1HB   LEU  34          1HB       LEU  34  -0.694   6.897   6.897
  272   2HB   LEU  34          2HB       LEU  34   1.011   7.209   7.209
  273    HG   LEU  34           HG       LEU  34   0.331   4.813   4.813
  274   1HD1  LEU  34          2HD1      LEU  34   2.714   5.509   5.509
  275   2HD1  LEU  34          3HD1      LEU  34   2.295   5.419   5.419
  276   3HD1  LEU  34          1HD1      LEU  34   2.195   3.970   3.970
  277   1HD2  LEU  34          3HD2      LEU  34  -1.464   4.963   4.963
  278   2HD2  LEU  34          1HD2      LEU  34  -0.260   3.706   3.706
  279   3HD2  LEU  34          2HD2      LEU  34  -0.223   5.253   5.253
  280    H    SER  35           H        SER  35   2.298   9.145   9.145
  281    HA   SER  35           HA       SER  35   3.837   8.171   8.171
  282   1HB   SER  35          1HB       SER  35   4.955   7.790   7.790
  283   2HB   SER  35          2HB       SER  35   4.807   9.510   9.510
  284    HG   SER  35           HG       SER  35   6.045   9.987   9.987
  285    H    ALA  36           H        ALA  36   4.845  11.167  11.167
  286    HA   ALA  36           HA       ALA  36   5.260  13.154  13.154
  287   1HB   ALA  36          2HB       ALA  36   2.888  13.680  13.680
  288   2HB   ALA  36          3HB       ALA  36   2.440  12.876  12.876
  289   3HB   ALA  36          1HB       ALA  36   3.496  14.310  14.310
  290    H    LYS  37           H        LYS  37   3.887  10.617  10.617
  291    HA   LYS  37           HA       LYS  37   5.716  11.348  11.348
  292   1HB   LYS  37          1HB       LYS  37   3.539   9.184   9.184
  293   2HB   LYS  37          2HB       LYS  37   4.597   9.464   9.464
  294   1HG   LYS  37          1HG       LYS  37   2.481  11.404  11.404
  295   2HG   LYS  37          2HG       LYS  37   2.388  10.458  10.458
  296   1HD   LYS  37          1HD       LYS  37   4.303  12.817  12.817
  297   2HD   LYS  37          2HD       LYS  37   2.840  12.848  12.848
  298   1HE   LYS  37          1HE       LYS  37   3.875  11.192  11.192
  299   2HE   LYS  37          2HE       LYS  37   5.364  11.189  11.189
  300   1HZ   LYS  37          3HZ       LYS  37   5.573  13.582  13.582
  301   2HZ   LYS  37          1HZ       LYS  37   4.185  13.590  13.590
  302   3HZ   LYS  37          2HZ       LYS  37   5.504  12.745  12.745
  303    H    MET  38           H        MET  38   5.230   8.557   8.557
  304    HA   MET  38           HA       MET  38   7.708   7.209   7.209
  305   1HB   MET  38          1HB       MET  38   6.366   7.148   7.148
  306   2HB   MET  38          2HB       MET  38   7.703   6.149   6.149
  307   1HG   MET  38          1HG       MET  38   4.869   6.101   6.101
  308   2HG   MET  38          2HG       MET  38   5.563   4.906   4.906
  309   1HE   MET  38          1HE       MET  38   8.372   4.052   4.052
  310   2HE   MET  38          3HE       MET  38   8.131   2.942   2.942
  311   3HE   MET  38          2HE       MET  38   7.040   2.855   2.855
  312    H    ARG  39           H        ARG  39   7.305  10.178  10.178
  313    HA   ARG  39           HA       ARG  39  10.333  10.256  10.256
  314   1HB   ARG  39          1HB       ARG  39   8.085  12.131  12.131
  315   2HB   ARG  39          2HB       ARG  39   9.710  12.736  12.736
  316   1HG   ARG  39          1HG       ARG  39   9.605  12.199  12.199
  317   2HG   ARG  39          2HG       ARG  39  10.642  10.984  10.984
  318   1HD   ARG  39          1HD       ARG  39   8.626   9.373   9.373
  319   2HD   ARG  39          2HD       ARG  39   7.684  10.619  10.619
  320    HE   ARG  39           HE       ARG  39  10.102  10.180  10.180
  321   1HH1  ARG  39          1HH1      ARG  39   7.210   8.331   8.331
  322   2HH1  ARG  39          2HH1      ARG  39   7.373   7.297   7.297
  323   1HH2  ARG  39          1HH2      ARG  39  10.187   8.951   8.951
  324   2HH2  ARG  39          2HH2      ARG  39   8.948   7.627   7.627
  325    H    GLU  40           H        GLU  40  11.410  10.746  10.746
  326    HA   GLU  40           HA       GLU  40  11.815  12.169  12.169
  327   1HB   GLU  40          1HB       GLU  40   8.986  11.239  11.239
  328   2HB   GLU  40          2HB       GLU  40  10.138  11.434  11.434
  329   1HG   GLU  40          1HG       GLU  40  10.429  13.808  13.808
  330   2HG   GLU  40          2HG       GLU  40   9.573  13.785  13.785
  331    H    TRP  41           H        TRP  41  10.011   9.056   9.056
  332    HA   TRP  41           HA       TRP  41  12.060   7.454   7.454
  333   1HB   TRP  41          1HB       TRP  41   9.695   6.748   6.748
  334   2HB   TRP  41          2HB       TRP  41   9.779   6.631   6.631
  335    HD1  TRP  41           HD1      TRP  41  10.661   4.651   4.651
  336    HE1  TRP  41           HE1      TRP  41  11.410   2.183   2.183
  337    HE3  TRP  41           HE3      TRP  41  11.108   5.384   5.384
  338    HZ2  TRP  41           HZ2      TRP  41  12.061   0.872   0.872
  339    HZ3  TRP  41           HZ3      TRP  41  11.798   3.466   3.466
  340    HH2  TRP  41           HH2      TRP  41  12.275   1.264   1.264
  341    H    PHE  42           H        PHE  42  11.635   8.219   8.219
  342    HA   PHE  42           HA       PHE  42  13.840   6.413   6.413
  343   1HB   PHE  42          1HB       PHE  42  12.532   8.818   8.818
  344   2HB   PHE  42          2HB       PHE  42  13.853   7.949   7.949
  345    HD1  PHE  42           HD2      PHE  42  13.616   5.377   5.377
  346    HD2  PHE  42           HD1      PHE  42  10.292   8.019   8.019
  347    HE1  PHE  42           HE2      PHE  42  12.101   3.765   3.765
  348    HE2  PHE  42           HE1      PHE  42   8.788   6.382   6.382
  349    HZ   PHE  42           HZ       PHE  42   9.690   4.252   4.252
  350    H    SER  43           H        SER  43  13.767   9.696   9.696
  351    HA   SER  43           HA       SER  43  16.627  10.327  10.327
  352   1HB   SER  43          1HB       SER  43  16.400  12.391  12.391
  353   2HB   SER  43          2HB       SER  43  15.074  12.208  12.208
  354    HG   SER  43           HG       SER  43  15.005  11.590  11.590
  355    H    GLU  44           H        GLU  44  14.979   9.140   9.140
  356    HA   GLU  44           HA       GLU  44  17.492   8.905   8.905
  357   1HB   GLU  44          1HB       GLU  44  15.258   9.228   9.228
  358   2HB   GLU  44          2HB       GLU  44  14.689   7.705   7.705
  359   1HG   GLU  44          1HG       GLU  44  15.202   7.414   7.414
  360   2HG   GLU  44          2HG       GLU  44  16.321   6.439   6.439
  361    H    THR  45           H        THR  45  15.384   6.503   6.503
  362    HA   THR  45           HA       THR  45  17.533   4.332   4.332
  363    HB   THR  45           HB       THR  45  14.724   4.351   4.351
  364    HG1  THR  45           HG1      THR  45  14.130   3.341   3.341
  365   1HG2  THR  45          2HG2      THR  45  15.988   2.346   2.346
  366   2HG2  THR  45          3HG2      THR  45  16.428   1.940   1.940
  367   3HG2  THR  45          1HG2      THR  45  14.730   1.857   1.857
  368    H    PHE  46           H        PHE  46  18.397   6.249   6.249
  369    HA   PHE  46           HA       PHE  46  17.898   6.348   6.348
  370   1HB   PHE  46          1HB       PHE  46  18.638   8.288   8.288
  371   2HB   PHE  46          2HB       PHE  46  20.232   7.616   7.616
  372    HD1  PHE  46           HD1      PHE  46  17.749   8.990   8.990
  373    HD2  PHE  46           HD2      PHE  46  21.863   7.892   7.892
  374    HE1  PHE  46           HE1      PHE  46  18.386  10.125  10.125
  375    HE2  PHE  46           HE2      PHE  46  22.481   9.044   9.044
  376    HZ   PHE  46           HZ       PHE  46  20.748  10.156  10.156
  377    H    GLN  47           H        GLN  47  21.002   5.253   5.253
  378    HA   GLN  47           HA       GLN  47  22.015   4.041   4.041
  379   1HB   GLN  47          1HB       GLN  47  22.884   3.558   3.558
  380   2HB   GLN  47          2HB       GLN  47  23.711   2.900   2.900
  381   1HG   GLN  47          1HG       GLN  47  24.197   5.210   5.210
  382   2HG   GLN  47          2HG       GLN  47  23.382   5.925   5.925
  383   1HE2  GLN  47          2HE2      GLN  47  26.214   5.398   5.398
  384   2HE2  GLN  47          1HE2      GLN  47  24.455   5.897   5.897
  385    H    LYS  48           H        LYS  48  20.095   2.636   2.636
  386    HA   LYS  48           HA       LYS  48  20.320  -0.172  -0.172
  387   1HB   LYS  48          1HB       LYS  48  17.830   1.057   1.057
  388   2HB   LYS  48          2HB       LYS  48  18.318  -0.617  -0.617
  389   1HG   LYS  48          1HG       LYS  48  19.654   1.736   1.736
  390   2HG   LYS  48          2HG       LYS  48  18.621   0.500   0.500
  391   1HD   LYS  48          1HD       LYS  48  20.337  -1.270  -1.270
  392   2HD   LYS  48          2HD       LYS  48  21.390  -0.010  -0.010
  393   1HE   LYS  48          1HE       LYS  48  21.487   1.120   1.120
  394   2HE   LYS  48          2HE       LYS  48  20.442  -0.139  -0.139
  395   1HZ   LYS  48          2HZ       LYS  48  23.128  -0.608  -0.608
  396   2HZ   LYS  48          3HZ       LYS  48  22.775  -0.612  -0.612
  397   3HZ   LYS  48          1HZ       LYS  48  22.153  -1.784  -1.784
  398    H    VAL  49           H        VAL  49  17.807   2.226   2.226
  399    HA   VAL  49           HA       VAL  49  16.511   0.501   0.501
  400    HB   VAL  49           HB       VAL  49  16.465   3.539   3.539
  401   1HG1  VAL  49          1HG1      VAL  49  14.628   1.653   1.653
  402   2HG1  VAL  49          2HG1      VAL  49  14.365   3.404   3.404
  403   3HG1  VAL  49          3HG1      VAL  49  15.780   2.824   2.824
  404   1HG2  VAL  49          3HG2      VAL  49  15.401   2.490   2.490
  405   2HG2  VAL  49          1HG2      VAL  49  14.189   3.293   3.293
  406   3HG2  VAL  49          2HG2      VAL  49  14.337   1.520   1.520
  407    H    LYS  50           H        LYS  50  18.947   3.184   3.184
  408    HA   LYS  50           HA       LYS  50  18.857   3.169   3.169
  409   1HB   LYS  50          1HB       LYS  50  19.735   4.899   4.899
  410   2HB   LYS  50          2HB       LYS  50  21.227   3.977   3.977
  411   1HG   LYS  50          1HG       LYS  50  21.728   4.421   4.421
  412   2HG   LYS  50          2HG       LYS  50  20.160   5.197   5.197
  413   1HD   LYS  50          1HD       LYS  50  21.514   7.038   7.038
  414   2HD   LYS  50          2HD       LYS  50  20.899   6.866   6.866
  415   1HE   LYS  50          1HE       LYS  50  23.676   5.834   5.834
  416   2HE   LYS  50          2HE       LYS  50  23.400   7.426   7.426
  417   1HZ   LYS  50          1HZ       LYS  50  22.650   6.371   6.371
  418   2HZ   LYS  50          2HZ       LYS  50  22.900   4.865   4.865
  419   3HZ   LYS  50          3HZ       LYS  50  24.179   5.881   5.881
  420    H    GLU  51           H        GLU  51  21.035   1.018   1.018
  421    HA   GLU  51           HA       GLU  51  22.596   0.028   0.028
  422   1HB   GLU  51          1HB       GLU  51  21.828  -1.449  -1.449
  423   2HB   GLU  51          2HB       GLU  51  22.966  -2.050  -2.050
  424   1HG   GLU  51          1HG       GLU  51  23.350   0.502   0.502
  425   2HG   GLU  51          2HG       GLU  51  24.081  -1.060  -1.060
  426    H    LYS  52           H        LYS  52  19.350  -0.781  -0.781
  427    HA   LYS  52           HA       LYS  52  18.928  -2.990  -2.990
  428   1HB   LYS  52          1HB       LYS  52  16.900  -1.630  -1.630
  429   2HB   LYS  52          2HB       LYS  52  16.571  -3.000  -3.000
  430   1HG   LYS  52          1HG       LYS  52  18.251  -4.389  -4.389
  431   2HG   LYS  52          2HG       LYS  52  18.572  -3.054  -3.054
  432   1HD   LYS  52          1HD       LYS  52  15.816  -4.406  -4.406
  433   2HD   LYS  52          2HD       LYS  52  17.030  -4.841  -4.841
  434   1HE   LYS  52          1HE       LYS  52  15.555  -3.527  -3.527
  435   2HE   LYS  52          2HE       LYS  52  16.903  -2.437  -2.437
  436   1HZ   LYS  52          2HZ       LYS  52  14.323  -2.466  -2.466
  437   2HZ   LYS  52          3HZ       LYS  52  14.771  -1.358  -1.358
  438   3HZ   LYS  52          1HZ       LYS  52  15.573  -1.428  -1.428
  439    H    LEU  53           H        LEU  53  17.853   0.346   0.346
  440    HA   LEU  53           HA       LEU  53  17.601   2.101   2.101
  441   1HB   LEU  53          1HB       LEU  53  17.183   0.117   0.117
  442   2HB   LEU  53          2HB       LEU  53  17.138   1.849   1.849
  443    HG   LEU  53           HG       LEU  53  19.649   0.400   0.400
  444   1HD1  LEU  53          2HD1      LEU  53  19.129  -0.496  -0.496
  445   2HD1  LEU  53          3HD1      LEU  53  19.034   1.154   1.154
  446   3HD1  LEU  53          1HD1      LEU  53  20.581   0.521   0.521
  447   1HD2  LEU  53          3HD2      LEU  53  19.564   2.878   2.878
  448   2HD2  LEU  53          1HD2      LEU  53  20.849   2.479   2.479
  449   3HD2  LEU  53          2HD2      LEU  53  19.332   3.217   3.217
  450    H    LYS  54           H        LYS  54  15.268  -0.534  -0.534
  451    HA   LYS  54           HA       LYS  54  12.955  -0.610  -0.610
  452   1HB   LYS  54          1HB       LYS  54  12.899   2.042   2.042
  453   2HB   LYS  54          2HB       LYS  54  11.497   1.078   1.078
  454   1HG   LYS  54          1HG       LYS  54  12.399  -0.849  -0.849
  455   2HG   LYS  54          2HG       LYS  54  13.790   0.141   0.141
  456   1HD   LYS  54          1HD       LYS  54  12.208   1.879   1.879
  457   2HD   LYS  54          2HD       LYS  54  10.830   0.866   0.866
  458   1HE   LYS  54          1HE       LYS  54  11.684  -0.967  -0.967
  459   2HE   LYS  54          2HE       LYS  54  13.082   0.033   0.033
  460   1HZ   LYS  54          3HZ       LYS  54  11.553   1.705   1.705
  461   2HZ   LYS  54          1HZ       LYS  54  10.243   0.775   0.775
  462   3HZ   LYS  54          2HZ       LYS  54  11.326   0.246   0.246
  463    H    ILE  55           H        ILE  55  12.077  -0.502  -0.502
  464    HA   ILE  55           HA       ILE  55  12.186   1.805   1.805
  465    HB   ILE  55           HB       ILE  55  12.124  -0.529  -0.529
  466   1HG1  ILE  55          1HG1      ILE  55  10.481  -0.402  -0.402
  467   2HG1  ILE  55          2HG1      ILE  55   9.713   1.007   1.007
  468   1HG2  ILE  55          2HG2      ILE  55  10.510  -1.568  -1.568
  469   2HG2  ILE  55          3HG2      ILE  55   9.160  -0.742  -0.742
  470   3HG2  ILE  55          1HG2      ILE  55  10.122  -1.958  -1.958
  471   1HD1  ILE  55          3HD1      ILE  55  12.640   0.895   0.895
  472   2HD1  ILE  55          1HD1      ILE  55  11.262   1.611   1.611
  473   3HD1  ILE  55          2HD1      ILE  55  11.829   2.351   2.351
  474    H    ASP  56           H        ASP  56   9.481   0.574   0.574
  475    HA   ASP  56           HA       ASP  56   7.724   2.861   2.861
  476   1HB   ASP  56          1HB       ASP  56   6.875   0.585   0.585
  477   2HB   ASP  56          2HB       ASP  56   7.457   0.701   0.701
  478    H    SER  57           H        SER  57   8.751   2.040   2.040
  479    HA   SER  57           HA       SER  57   9.477   3.332   3.332
  480   1HB   SER  57          1HB       SER  57  10.121   5.692   5.692
  481   2HB   SER  57          2HB       SER  57  10.521   5.553   5.553
  482    HG   SER  57           HG       SER  57  12.213   4.924   4.924

  Start of MODEL   15
    1   1H    THR   1          2H        THR   1 -34.797 -15.122 -15.122
    2   2H    THR   1          3H        THR   1 -36.018 -14.020 -14.020
    3   3H    THR   1          1H        THR   1 -36.371 -15.609 -15.609
    4    HA   THR   1           HA       THR   1 -35.372 -15.569 -15.569
    5    HB   THR   1           HB       THR   1 -37.814 -15.049 -15.049
    6    HG1  THR   1           HG1      THR   1 -36.851 -15.420 -15.420
    7   1HG2  THR   1          2HG2      THR   1 -37.657 -12.679 -12.679
    8   2HG2  THR   1          3HG2      THR   1 -37.065 -12.135 -12.135
    9   3HG2  THR   1          1HG2      THR   1 -38.704 -12.816 -12.816
   10    HA   PRO   2           HA       PRO   2 -32.297 -12.167 -12.167
   11   1HB   PRO   2          1HB       PRO   2 -31.559 -12.454 -12.454
   12   2HB   PRO   2          2HB       PRO   2 -31.154 -13.703 -13.703
   13   1HG   PRO   2          1HG       PRO   2 -33.502 -13.698 -13.698
   14   2HG   PRO   2          2HG       PRO   2 -32.366 -15.017 -15.017
   15   1HD   PRO   2          1HD       PRO   2 -34.865 -14.867 -14.867
   16   2HD   PRO   2          2HD       PRO   2 -33.472 -15.540 -15.540
   17    H    ASP   3           H        ASP   3 -33.206 -10.255 -10.255
   18    HA   ASP   3           HA       ASP   3 -35.224  -9.090  -9.090
   19   1HB   ASP   3          1HB       ASP   3 -34.357  -8.112  -8.112
   20   2HB   ASP   3          2HB       ASP   3 -35.521  -7.293  -7.293
   21    H    VAL   4           H        VAL   4 -34.598  -7.900  -7.900
   22    HA   VAL   4           HA       VAL   4 -31.900  -6.434  -6.434
   23    HB   VAL   4           HB       VAL   4 -33.167  -7.959  -7.959
   24   1HG1  VAL   4          1HG1      VAL   4 -30.576  -6.299  -6.299
   25   2HG1  VAL   4          2HG1      VAL   4 -31.136  -7.356  -7.356
   26   3HG1  VAL   4          3HG1      VAL   4 -32.060  -5.903  -5.903
   27   1HG2  VAL   4          2HG2      VAL   4 -32.019  -9.456  -9.456
   28   2HG2  VAL   4          3HG2      VAL   4 -31.121  -9.370  -9.370
   29   3HG2  VAL   4          1HG2      VAL   4 -30.546  -8.464  -8.464
   30    H    SER   5           H        SER   5 -35.053  -6.158  -6.158
   31    HA   SER   5           HA       SER   5 -35.995  -4.297  -4.297
   32   1HB   SER   5          1HB       SER   5 -36.774  -4.196  -4.196
   33   2HB   SER   5          2HB       SER   5 -35.503  -3.024  -3.024
   34    HG   SER   5           HG       SER   5 -37.536  -2.760  -2.760
   35    H    SER   6           H        SER   6 -33.866  -4.361  -4.361
   36    HA   SER   6           HA       SER   6 -32.136  -3.357  -3.357
   37   1HB   SER   6          1HB       SER   6 -33.642  -0.726  -0.726
   38   2HB   SER   6          2HB       SER   6 -32.292  -0.988  -0.988
   39    HG   SER   6           HG       SER   6 -33.502  -2.646  -2.646
   40    H    ALA   7           H        ALA   7 -31.079  -4.106  -4.106
   41    HA   ALA   7           HA       ALA   7 -29.308  -1.845  -1.845
   42   1HB   ALA   7          3HB       ALA   7 -30.505  -3.014  -3.014
   43   2HB   ALA   7          1HB       ALA   7 -29.861  -4.587  -4.587
   44   3HB   ALA   7          2HB       ALA   7 -28.762  -3.331  -3.331
   45    H    LEU   8           H        LEU   8 -29.000  -5.399  -5.399
   46    HA   LEU   8           HA       LEU   8 -26.222  -5.183  -5.183
   47   1HB   LEU   8          1HB       LEU   8 -28.513  -7.204  -7.204
   48   2HB   LEU   8          2HB       LEU   8 -26.917  -7.457  -7.457
   49    HG   LEU   8           HG       LEU   8 -27.531  -7.146  -7.146
   50   1HD1  LEU   8          2HD1      LEU   8 -28.613  -9.191  -9.191
   51   2HD1  LEU   8          3HD1      LEU   8 -27.058  -9.733  -9.733
   52   3HD1  LEU   8          1HD1      LEU   8 -27.278  -9.620  -9.620
   53   1HD2  LEU   8          2HD2      LEU   8 -24.932  -8.092  -8.092
   54   2HD2  LEU   8          3HD2      LEU   8 -25.142  -6.573  -6.573
   55   3HD2  LEU   8          1HD2      LEU   8 -25.237  -8.120  -8.120
   56    H    ASP   9           H        ASP   9 -29.268  -4.638  -4.638
   57    HA   ASP   9           HA       ASP   9 -28.239  -4.720  -4.720
   58   1HB   ASP   9          1HB       ASP   9 -30.715  -4.794  -4.794
   59   2HB   ASP   9          2HB       ASP   9 -30.629  -3.073  -3.073
   60    H    LYS  10           H        LYS  10 -28.630  -1.919  -1.919
   61    HA   LYS  10           HA       LYS  10 -27.196  -0.048  -0.048
   62   1HB   LYS  10          2HB       LYS  10 -27.273   1.609   1.609
   63   2HB   LYS  10          1HB       LYS  10 -28.843   0.898   0.898
   64   1HG   LYS  10          1HG       LYS  10 -28.574  -0.521  -0.521
   65   2HG   LYS  10          2HG       LYS  10 -27.039   0.260   0.260
   66   1HD   LYS  10          1HD       LYS  10 -29.755   1.716   1.716
   67   2HD   LYS  10          2HD       LYS  10 -29.024   1.144   1.144
   68   1HE   LYS  10          1HE       LYS  10 -27.020   2.669   2.669
   69   2HE   LYS  10          2HE       LYS  10 -27.767   3.283   3.283
   70   1HZ   LYS  10          1HZ       LYS  10 -28.951   3.500   3.500
   71   2HZ   LYS  10          2HZ       LYS  10 -28.230   4.722   4.722
   72   3HZ   LYS  10          3HZ       LYS  10 -29.648   4.070   4.070
   73    H    LEU  11           H        LEU  11 -26.155  -1.875  -1.875
   74    HA   LEU  11           HA       LEU  11 -23.518  -0.680  -0.680
   75   1HB   LEU  11          1HB       LEU  11 -24.830  -1.889  -1.889
   76   2HB   LEU  11          2HB       LEU  11 -24.415  -3.408  -3.408
   77    HG   LEU  11           HG       LEU  11 -21.922  -2.810  -2.810
   78   1HD1  LEU  11          2HD2      LEU  11 -22.163  -0.311  -0.311
   79   2HD1  LEU  11          3HD2      LEU  11 -23.110  -0.578  -0.578
   80   3HD1  LEU  11          1HD2      LEU  11 -21.398  -1.066  -1.066
   81   1HD2  LEU  11          2HD1      LEU  11 -23.159  -4.413  -4.413
   82   2HD2  LEU  11          3HD1      LEU  11 -21.996  -3.469  -3.469
   83   3HD2  LEU  11          1HD1      LEU  11 -23.735  -3.081  -3.081
   84    H    LYS  12           H        LYS  12 -24.498  -3.512  -3.512
   85    HA   LYS  12           HA       LYS  12 -21.889  -4.649  -4.649
   86   1HB   LYS  12          1HB       LYS  12 -22.767  -5.891  -5.891
   87   2HB   LYS  12          2HB       LYS  12 -23.828  -5.920  -5.920
   88   1HG   LYS  12          1HG       LYS  12 -25.238  -4.077  -4.077
   89   2HG   LYS  12          2HG       LYS  12 -24.277  -4.345  -4.345
   90   1HD   LYS  12          1HD       LYS  12 -25.867  -6.532  -6.532
   91   2HD   LYS  12          2HD       LYS  12 -26.518  -5.561  -5.561
   92   1HE   LYS  12          1HE       LYS  12 -24.734  -6.466  -6.466
   93   2HE   LYS  12          2HE       LYS  12 -24.087  -7.464  -7.464
   94   1HZ   LYS  12          3HZ       LYS  12 -26.851  -7.665  -7.665
   95   2HZ   LYS  12          1HZ       LYS  12 -25.612  -8.716  -8.716
   96   3HZ   LYS  12          2HZ       LYS  12 -26.246  -8.594  -8.594
   97    H    GLU  13           H        GLU  13 -23.401  -1.981  -1.981
   98    HA   GLU  13           HA       GLU  13 -20.841  -1.676  -1.676
   99   1HB   GLU  13          1HB       GLU  13 -21.879  -0.534  -0.534
  100   2HB   GLU  13          2HB       GLU  13 -22.742  -2.021  -2.021
  101   1HG   GLU  13          1HG       GLU  13 -23.713   0.804   0.804
  102   2HG   GLU  13          2HG       GLU  13 -24.193  -0.090  -0.090
  103    H    PHE  14           H        PHE  14 -23.156   0.338   0.338
  104    HA   PHE  14           HA       PHE  14 -21.425   2.723   2.723
  105   1HB   PHE  14          1HB       PHE  14 -23.898   2.863   2.863
  106   2HB   PHE  14          2HB       PHE  14 -23.746   2.134   2.134
  107    HD1  PHE  14           HD2      PHE  14 -22.601   5.132   5.132
  108    HD2  PHE  14           HD1      PHE  14 -23.367   3.551   3.551
  109    HE1  PHE  14           HE2      PHE  14 -22.276   7.368   7.368
  110    HE2  PHE  14           HE1      PHE  14 -23.048   5.796   5.796
  111    HZ   PHE  14           HZ       PHE  14 -22.498   7.705   7.705
  112    H    GLY  15           H        GLY  15 -21.773   0.204   0.204
  113   1HA   GLY  15          1HA       GLY  15 -19.800   1.304   1.304
  114   2HA   GLY  15          2HA       GLY  15 -20.288  -0.368  -0.368
  115    H    ASN  16           H        ASN  16 -19.458  -1.137  -1.137
  116    HA   ASN  16           HA       ASN  16 -16.579  -1.564  -1.564
  117   1HB   ASN  16          1HB       ASN  16 -18.264  -3.098  -3.098
  118   2HB   ASN  16          2HB       ASN  16 -18.278  -1.977  -1.977
  119   1HD2  ASN  16          1HD2      ASN  16 -15.041  -4.503  -4.503
  120   2HD2  ASN  16          2HD2      ASN  16 -16.259  -4.246  -4.246
  121    H    THR  17           H        THR  17 -18.321   0.887   0.887
  122    HA   THR  17           HA       THR  17 -15.950   1.954   1.954
  123    HB   THR  17           HB       THR  17 -18.673   3.251   3.251
  124    HG1  THR  17           HG1      THR  17 -18.988   2.744   2.744
  125   1HG2  THR  17          2HG2      THR  17 -16.490   4.195   4.195
  126   2HG2  THR  17          3HG2      THR  17 -18.155   4.832   4.832
  127   3HG2  THR  17          1HG2      THR  17 -17.028   5.067   5.067
  128    H    LEU  18           H        LEU  18 -17.685   3.253   3.253
  129    HA   LEU  18           HA       LEU  18 -15.385   4.906   4.906
  130   1HB   LEU  18          1HB       LEU  18 -16.585   5.678   5.678
  131   2HB   LEU  18          2HB       LEU  18 -17.639   5.587   5.587
  132    HG   LEU  18           HG       LEU  18 -18.391   3.205   3.205
  133   1HD1  LEU  18          1HD2      LEU  18 -17.312   4.680   4.680
  134   2HD1  LEU  18          2HD2      LEU  18 -18.385   3.258   3.258
  135   3HD1  LEU  18          3HD2      LEU  18 -16.745   3.112   3.112
  136   1HD2  LEU  18          2HD1      LEU  18 -19.895   5.169   5.169
  137   2HD2  LEU  18          3HD1      LEU  18 -20.221   4.386   4.386
  138   3HD2  LEU  18          1HD1      LEU  18 -19.306   5.917   5.917
  139    H    GLU  19           H        GLU  19 -15.299   1.826   1.826
  140    HA   GLU  19           HA       GLU  19 -13.643   1.474   1.474
  141   1HB   GLU  19          1HB       GLU  19 -15.220  -0.360  -0.360
  142   2HB   GLU  19          2HB       GLU  19 -14.292  -0.590  -0.590
  143   1HG   GLU  19          1HG       GLU  19 -12.240  -1.142  -1.142
  144   2HG   GLU  19          2HG       GLU  19 -13.291  -1.003  -1.003
  145    H    ASP  20           H        ASP  20 -13.166   0.900   0.900
  146    HA   ASP  20           HA       ASP  20 -10.244   1.166   1.166
  147   1HB   ASP  20          1HB       ASP  20 -11.609  -0.062  -0.062
  148   2HB   ASP  20          2HB       ASP  20 -12.096   1.486   1.486
  149    H    LYS  21           H        LYS  21 -12.775   3.602   3.602
  150    HA   LYS  21           HA       LYS  21 -11.050   5.821   5.821
  151   1HB   LYS  21          1HB       LYS  21 -13.676   5.591   5.591
  152   2HB   LYS  21          2HB       LYS  21 -13.679   6.108   6.108
  153   1HG   LYS  21          1HG       LYS  21 -12.511   8.266   8.266
  154   2HG   LYS  21          2HG       LYS  21 -12.537   7.691   7.691
  155   1HD   LYS  21          1HD       LYS  21 -15.107   7.502   7.502
  156   2HD   LYS  21          2HD       LYS  21 -15.004   8.218   8.218
  157   1HE   LYS  21          1HE       LYS  21 -13.905  10.295  10.295
  158   2HE   LYS  21          2HE       LYS  21 -14.085   9.552   9.552
  159   1HZ   LYS  21          1HZ       LYS  21 -16.498   9.519   9.519
  160   2HZ   LYS  21          2HZ       LYS  21 -16.334  10.208  10.208
  161   3HZ   LYS  21          3HZ       LYS  21 -15.911  11.057  11.057
  162    H    ALA  22           H        ALA  22 -12.185   4.857   4.857
  163    HA   ALA  22           HA       ALA  22 -10.671   6.950   6.950
  164   1HB   ALA  22          2HB       ALA  22 -12.662   5.872   5.872
  165   2HB   ALA  22          3HB       ALA  22 -11.825   4.298   4.298
  166   3HB   ALA  22          1HB       ALA  22 -11.238   5.663   5.663
  167    H    ARG  23           H        ARG  23  -9.832   3.553   3.553
  168    HA   ARG  23           HA       ARG  23  -7.240   3.495   3.495
  169   1HB   ARG  23          1HB       ARG  23  -8.223   1.876   1.876
  170   2HB   ARG  23          2HB       ARG  23  -6.671   1.612   1.612
  171   1HG   ARG  23          1HG       ARG  23  -7.744   1.060   1.060
  172   2HG   ARG  23          2HG       ARG  23  -9.345   1.341   1.341
  173   1HD   ARG  23          1HD       ARG  23  -7.380  -0.818  -0.818
  174   2HD   ARG  23          2HD       ARG  23  -8.663  -1.096  -1.096
  175    HE   ARG  23           HE       ARG  23  -9.923   0.048   0.048
  176   1HH1  ARG  23          1HH1      ARG  23  -8.312  -2.971  -2.971
  177   2HH1  ARG  23          2HH1      ARG  23  -9.263  -3.897  -3.897
  178   1HH2  ARG  23          1HH2      ARG  23 -10.943  -1.103  -1.103
  179   2HH2  ARG  23          2HH2      ARG  23 -10.652  -2.909  -2.909
  180    H    GLU  24           H        GLU  24  -8.036   4.354   4.354
  181    HA   GLU  24           HA       GLU  24  -5.336   5.184   5.184
  182   1HB   GLU  24          1HB       GLU  24  -8.110   6.042   6.042
  183   2HB   GLU  24          2HB       GLU  24  -6.605   6.543   6.543
  184   1HG   GLU  24          1HG       GLU  24  -5.988   4.224   4.224
  185   2HG   GLU  24          2HG       GLU  24  -7.370   3.570   3.570
  186    H    LEU  25           H        LEU  25  -7.991   7.060   7.060
  187    HA   LEU  25           HA       LEU  25  -6.591   9.651   9.651
  188   1HB   LEU  25          1HB       LEU  25  -9.085   9.399   9.399
  189   2HB   LEU  25          2HB       LEU  25  -8.900   8.757   8.757
  190    HG   LEU  25           HG       LEU  25  -7.920  10.981  10.981
  191   1HD1  LEU  25          3HD1      LEU  25  -8.675  11.974  11.974
  192   2HD1  LEU  25          1HD1      LEU  25  -8.202  13.011  13.011
  193   3HD1  LEU  25          2HD1      LEU  25  -7.029  11.882  11.882
  194   1HD2  LEU  25          1HD2      LEU  25 -10.340  10.461  10.461
  195   2HD2  LEU  25          2HD2      LEU  25 -10.098  12.192  12.192
  196   3HD2  LEU  25          3HD2      LEU  25 -10.723  11.144  11.144
  197    H    ILE  26           H        ILE  26  -6.826   7.216   7.216
  198    HA   ILE  26           HA       ILE  26  -5.142   8.715   8.715
  199    HB   ILE  26           HB       ILE  26  -5.950   5.782   5.782
  200   1HG1  ILE  26          1HG1      ILE  26  -6.795   8.033   8.033
  201   2HG1  ILE  26          2HG1      ILE  26  -7.682   7.709   7.709
  202   1HG2  ILE  26          1HG2      ILE  26  -4.374   7.192   7.192
  203   2HG2  ILE  26          2HG2      ILE  26  -5.107   5.572   5.572
  204   3HG2  ILE  26          3HG2      ILE  26  -3.787   5.856   5.856
  205   1HD1  ILE  26          1HD1      ILE  26  -8.142   5.351   5.351
  206   2HD1  ILE  26          2HD1      ILE  26  -7.348   5.701   5.701
  207   3HD1  ILE  26          3HD1      ILE  26  -8.815   6.594   6.594
  208    H    SER  27           H        SER  27  -4.282   6.199   6.199
  209    HA   SER  27           HA       SER  27  -1.400   6.132   6.132
  210   1HB   SER  27          1HB       SER  27  -2.940   5.682   5.682
  211   2HB   SER  27          2HB       SER  27  -1.224   5.335   5.335
  212    HG   SER  27           HG       SER  27  -3.360   4.246   4.246
  213    H    ARG  28           H        ARG  28  -3.284   8.410   8.410
  214    HA   ARG  28           HA       ARG  28  -0.976  10.019  10.019
  215   1HB   ARG  28          1HB       ARG  28  -3.172   9.914   9.914
  216   2HB   ARG  28          2HB       ARG  28  -3.989  10.627  10.627
  217   1HG   ARG  28          1HG       ARG  28  -2.647  12.753  12.753
  218   2HG   ARG  28          2HG       ARG  28  -1.850  12.034  12.034
  219   1HD   ARG  28          1HD       ARG  28  -4.041  11.823  11.823
  220   2HD   ARG  28          2HD       ARG  28  -4.930  12.362  12.362
  221    HE   ARG  28           HE       ARG  28  -3.323  14.084  14.084
  222   1HH1  ARG  28          1HH1      ARG  28  -5.042  14.018  14.018
  223   2HH1  ARG  28          2HH1      ARG  28  -5.175  15.848  15.848
  224   1HH2  ARG  28          1HH2      ARG  28  -3.532  16.158  16.158
  225   2HH2  ARG  28          2HH2      ARG  28  -4.377  16.975  16.975
  226    H    ILE  29           H        ILE  29  -3.272  10.357  10.357
  227    HA   ILE  29           HA       ILE  29  -2.170  12.951  12.951
  228    HB   ILE  29           HB       ILE  29  -4.339  11.108  11.108
  229   1HG1  ILE  29          1HG1      ILE  29  -4.902  12.387  12.387
  230   2HG1  ILE  29          2HG1      ILE  29  -5.889  12.841  12.841
  231   1HG2  ILE  29          3HG2      ILE  29  -3.530  13.700  13.700
  232   2HG2  ILE  29          1HG2      ILE  29  -5.088  12.857  12.857
  233   3HG2  ILE  29          2HG2      ILE  29  -3.589  12.057  12.057
  234   1HD1  ILE  29          3HD1      ILE  29  -4.499  14.957  14.957
  235   2HD1  ILE  29          1HD1      ILE  29  -3.539  14.494  14.494
  236   3HD1  ILE  29          2HD1      ILE  29  -5.277  14.838  14.838
  237    H    LYS  30           H        LYS  30  -2.529  10.160  10.160
  238    HA   LYS  30           HA       LYS  30  -1.283   9.391   9.391
  239   1HB   LYS  30          1HB       LYS  30   1.178   9.865   9.865
  240   2HB   LYS  30          2HB       LYS  30   1.214   9.047   9.047
  241   1HG   LYS  30          1HG       LYS  30  -0.280   8.055   8.055
  242   2HG   LYS  30          2HG       LYS  30   1.262   7.484   7.484
  243   1HD   LYS  30          1HD       LYS  30   0.123   6.733   6.733
  244   2HD   LYS  30          2HD       LYS  30  -1.418   7.232   7.232
  245   1HE   LYS  30          1HE       LYS  30  -1.275   4.851   4.851
  246   2HE   LYS  30          2HE       LYS  30  -1.190   5.555   5.555
  247   1HZ   LYS  30          2HZ       LYS  30   1.143   4.567   4.567
  248   2HZ   LYS  30          3HZ       LYS  30   0.445   3.797   3.797
  249   3HZ   LYS  30          1HZ       LYS  30   1.245   5.225   5.225
  250    H    GLN  31           H        GLN  31  -2.223  11.341  11.341
  251    HA   GLN  31           HA       GLN  31  -2.257  13.333  13.333
  252   1HB   GLN  31          1HB       GLN  31   0.341  12.275  12.275
  253   2HB   GLN  31          2HB       GLN  31  -0.596  13.612  13.612
  254   1HG   GLN  31          1HG       GLN  31  -2.555  12.171  12.171
  255   2HG   GLN  31          2HG       GLN  31  -1.752  10.783  10.783
  256   1HE2  GLN  31          2HE2      GLN  31   0.147  10.117  10.117
  257   2HE2  GLN  31          1HE2      GLN  31  -0.192   9.685   9.685
  258    H    SER  32           H        SER  32  -1.574  13.957  13.957
  259    HA   SER  32           HA       SER  32   0.747  15.273  15.273
  260   1HB   SER  32          1HB       SER  32  -0.435  16.442  16.442
  261   2HB   SER  32          2HB       SER  32  -0.988  14.785  14.785
  262    HG   SER  32           HG       SER  32  -2.778  15.593  15.593
  263    H    GLU  33           H        GLU  33   1.717  17.192  17.192
  264    HA   GLU  33           HA       GLU  33   2.329  19.278  19.278
  265   1HB   GLU  33          1HB       GLU  33   0.059  20.093  20.093
  266   2HB   GLU  33          2HB       GLU  33  -0.432  20.081  20.081
  267   1HG   GLU  33          1HG       GLU  33   1.395  21.770  21.770
  268   2HG   GLU  33          2HG       GLU  33   1.910  21.740  21.740
  269    H    LEU  34           H        LEU  34   0.786  17.516  17.516
  270    HA   LEU  34           HA       LEU  34   2.565  18.433  18.433
  271   1HB   LEU  34          1HB       LEU  34   0.336  17.706  17.706
  272   2HB   LEU  34          2HB       LEU  34   0.472  16.187  16.187
  273    HG   LEU  34           HG       LEU  34   0.572  16.159  16.159
  274   1HD1  LEU  34          2HD1      LEU  34   1.314  14.183  14.183
  275   2HD1  LEU  34          3HD1      LEU  34   2.996  14.754  14.754
  276   3HD1  LEU  34          1HD1      LEU  34   2.137  14.307  14.307
  277   1HD2  LEU  34          3HD2      LEU  34   2.085  18.114  18.114
  278   2HD2  LEU  34          1HD2      LEU  34   2.642  16.641  16.641
  279   3HD2  LEU  34          2HD2      LEU  34   3.463  17.196  17.196
  280    H    SER  35           H        SER  35   2.174  15.924  15.924
  281    HA   SER  35           HA       SER  35   4.835  14.589  14.589
  282   1HB   SER  35          1HB       SER  35   2.583  13.907  13.907
  283   2HB   SER  35          2HB       SER  35   4.113  13.043  13.043
  284    HG   SER  35           HG       SER  35   3.678  12.607  12.607
  285    H    ALA  36           H        ALA  36   4.070  14.783  14.783
  286    HA   ALA  36           HA       ALA  36   5.317  15.677  15.677
  287   1HB   ALA  36          2HB       ALA  36   4.297  17.802  17.802
  288   2HB   ALA  36          3HB       ALA  36   5.710  18.192  18.192
  289   3HB   ALA  36          1HB       ALA  36   5.897  18.016  18.016
  290    H    LYS  37           H        LYS  37   7.279  16.619  16.619
  291    HA   LYS  37           HA       LYS  37   9.865  15.733  15.733
  292   1HB   LYS  37          1HB       LYS  37   9.737  17.711  17.711
  293   2HB   LYS  37          2HB       LYS  37   9.285  16.630  16.630
  294   1HG   LYS  37          1HG       LYS  37  11.514  15.418  15.418
  295   2HG   LYS  37          2HG       LYS  37  11.934  16.524  16.524
  296   1HD   LYS  37          1HD       LYS  37  11.757  18.474  18.474
  297   2HD   LYS  37          2HD       LYS  37  11.319  17.396  17.396
  298   1HE   LYS  37          1HE       LYS  37  14.009  17.279  17.279
  299   2HE   LYS  37          2HE       LYS  37  13.761  18.146  18.146
  300   1HZ   LYS  37          1HZ       LYS  37  13.207  16.035  16.035
  301   2HZ   LYS  37          2HZ       LYS  37  13.434  15.204  15.204
  302   3HZ   LYS  37          3HZ       LYS  37  14.708  15.968  15.968
  303    H    MET  38           H        MET  38   7.579  14.482  14.482
  304    HA   MET  38           HA       MET  38   8.910  11.932  11.932
  305   1HB   MET  38          1HB       MET  38   5.910  12.591  12.591
  306   2HB   MET  38          2HB       MET  38   6.553  11.072  11.072
  307   1HG   MET  38          1HG       MET  38   7.191  13.755  13.755
  308   2HG   MET  38          2HG       MET  38   5.930  12.622  12.622
  309   1HE   MET  38          2HE       MET  38   9.926  12.873  12.873
  310   2HE   MET  38          1HE       MET  38   9.367  13.631  13.631
  311   3HE   MET  38          3HE       MET  38  10.359  12.141  12.141
  312    H    ARG  39           H        ARG  39   6.552  12.744  12.744
  313    HA   ARG  39           HA       ARG  39   6.507  10.023  10.023
  314   1HB   ARG  39          1HB       ARG  39   5.791  12.736  12.736
  315   2HB   ARG  39          2HB       ARG  39   5.632  11.220  11.220
  316   1HG   ARG  39          1HG       ARG  39   4.045  10.310  10.310
  317   2HG   ARG  39          2HG       ARG  39   4.179  11.732  11.732
  318   1HD   ARG  39          1HD       ARG  39   3.161  11.786  11.786
  319   2HD   ARG  39          2HD       ARG  39   2.120  11.616  11.616
  320    HE   ARG  39           HE       ARG  39   3.609  13.987  13.987
  321   1HH1  ARG  39          1HH1      ARG  39   1.404  12.969  12.969
  322   2HH1  ARG  39          2HH1      ARG  39   0.963  14.720  14.720
  323   1HH2  ARG  39          1HH2      ARG  39   3.035  15.938  15.938
  324   2HH2  ARG  39          2HH2      ARG  39   1.825  16.283  16.283
  325    H    GLU  40           H        GLU  40   8.459  12.874  12.874
  326    HA   GLU  40           HA       GLU  40   9.971  11.504  11.504
  327   1HB   GLU  40          1HB       GLU  40   9.644  14.030  14.030
  328   2HB   GLU  40          2HB       GLU  40  10.923  13.933  13.933
  329   1HG   GLU  40          1HG       GLU  40  11.186  13.111  13.111
  330   2HG   GLU  40          2HG       GLU  40  11.496  14.727  14.727
  331    H    TRP  41           H        TRP  41  10.738  11.984  11.984
  332    HA   TRP  41           HA       TRP  41  13.280  10.513  10.513
  333   1HB   TRP  41          1HB       TRP  41  12.529  12.174  12.174
  334   2HB   TRP  41          2HB       TRP  41  11.274  11.078  11.078
  335    HD1  TRP  41           HD1      TRP  41  15.044  11.792  11.792
  336    HE1  TRP  41           HE1      TRP  41  16.155  10.267  10.267
  337    HE3  TRP  41           HE3      TRP  41  11.122   8.594   8.594
  338    HZ2  TRP  41           HZ2      TRP  41  15.233   7.995   7.995
  339    HZ3  TRP  41           HZ3      TRP  41  11.288   6.748   6.748
  340    HH2  TRP  41           HH2      TRP  41  13.309   6.457   6.457
  341    H    PHE  42           H        PHE  42   9.931   9.309   9.309
  342    HA   PHE  42           HA       PHE  42  10.697   6.561   6.561
  343   1HB   PHE  42          1HB       PHE  42   8.086   7.390   7.390
  344   2HB   PHE  42          2HB       PHE  42   8.400   5.809   5.809
  345    HD1  PHE  42           HD1      PHE  42   9.603   6.423   6.423
  346    HD2  PHE  42           HD2      PHE  42   6.219   8.091   8.091
  347    HE1  PHE  42           HE1      PHE  42   8.699   7.257   7.257
  348    HE2  PHE  42           HE2      PHE  42   5.316   8.881   8.881
  349    HZ   PHE  42           HZ       PHE  42   6.585   8.532   8.532
  350    H    SER  43           H        SER  43  10.416   8.101   8.101
  351    HA   SER  43           HA       SER  43  10.797   5.636   5.636
  352   1HB   SER  43          1HB       SER  43   9.639   7.661   7.661
  353   2HB   SER  43          2HB       SER  43  11.135   8.593   8.593
  354    HG   SER  43           HG       SER  43  10.756   6.190   6.190
  355    H    GLU  44           H        GLU  44  12.930   8.273   8.273
  356    HA   GLU  44           HA       GLU  44  15.451   7.282   7.282
  357   1HB   GLU  44          1HB       GLU  44  14.864   9.028   9.028
  358   2HB   GLU  44          2HB       GLU  44  16.500   8.596   8.596
  359   1HG   GLU  44          1HG       GLU  44  16.323   9.659   9.659
  360   2HG   GLU  44          2HG       GLU  44  14.608   9.955   9.955
  361    H    THR  45           H        THR  45  14.088   6.782   6.782
  362    HA   THR  45           HA       THR  45  16.127   4.960   4.960
  363    HB   THR  45           HB       THR  45  13.257   5.240   5.240
  364    HG1  THR  45           HG1      THR  45  14.466   7.155   7.155
  365   1HG2  THR  45          3HG2      THR  45  15.751   4.227   4.227
  366   2HG2  THR  45          1HG2      THR  45  14.155   4.553   4.553
  367   3HG2  THR  45          2HG2      THR  45  14.342   3.233   3.233
  368    H    PHE  46           H        PHE  46  12.976   4.154   4.154
  369    HA   PHE  46           HA       PHE  46  13.217   1.259   1.259
  370   1HB   PHE  46          1HB       PHE  46  11.119   2.483   2.483
  371   2HB   PHE  46          2HB       PHE  46  11.822   3.170   3.170
  372    HD1  PHE  46           HD1      PHE  46  10.874  -0.154  -0.154
  373    HD2  PHE  46           HD2      PHE  46  11.604   1.998   1.998
  374    HE1  PHE  46           HE1      PHE  46  10.028  -2.063  -2.063
  375    HE2  PHE  46           HE2      PHE  46  10.749   0.084   0.084
  376    HZ   PHE  46           HZ       PHE  46   9.962  -1.948  -1.948
  377    H    GLN  47           H        GLN  47  14.303   3.524   3.524
  378    HA   GLN  47           HA       GLN  47  15.531   1.429   1.429
  379   1HB   GLN  47          1HB       GLN  47  16.036   4.456   4.456
  380   2HB   GLN  47          2HB       GLN  47  16.751   3.362   3.362
  381   1HG   GLN  47          1HG       GLN  47  13.737   3.847   3.847
  382   2HG   GLN  47          2HG       GLN  47  14.756   4.517   4.517
  383   1HE2  GLN  47          2HE2      GLN  47  12.941   1.235   1.235
  384   2HE2  GLN  47          1HE2      GLN  47  12.388   2.560   2.560
  385    H    LYS  48           H        LYS  48  17.049   3.445   3.445
  386    HA   LYS  48           HA       LYS  48  19.788   2.532   2.532
  387   1HB   LYS  48          1HB       LYS  48  18.435   3.607   3.607
  388   2HB   LYS  48          2HB       LYS  48  20.146   3.219   3.219
  389   1HG   LYS  48          1HG       LYS  48  20.492   4.837   4.837
  390   2HG   LYS  48          2HG       LYS  48  18.802   5.301   5.301
  391   1HD   LYS  48          1HD       LYS  48  20.789   5.643   5.643
  392   2HD   LYS  48          2HD       LYS  48  20.372   6.886   6.886
  393   1HE   LYS  48          1HE       LYS  48  17.948   6.823   6.823
  394   2HE   LYS  48          2HE       LYS  48  18.376   5.612   5.612
  395   1HZ   LYS  48          1HZ       LYS  48  19.506   8.363   8.363
  396   2HZ   LYS  48          2HZ       LYS  48  18.369   7.835   7.835
  397   3HZ   LYS  48          3HZ       LYS  48  19.906   7.231   7.231
  398    H    VAL  49           H        VAL  49  17.278   1.090   1.090
  399    HA   VAL  49           HA       VAL  49  18.971  -1.191  -1.191
  400    HB   VAL  49           HB       VAL  49  15.936  -1.217  -1.217
  401   1HG1  VAL  49          3HG1      VAL  49  16.901  -3.479  -3.479
  402   2HG1  VAL  49          1HG1      VAL  49  17.842  -2.875  -2.875
  403   3HG1  VAL  49          2HG1      VAL  49  16.061  -2.919  -2.919
  404   1HG2  VAL  49          2HG2      VAL  49  16.608   0.743   0.743
  405   2HG2  VAL  49          3HG2      VAL  49  15.873  -0.541  -0.541
  406   3HG2  VAL  49          1HG2      VAL  49  17.643  -0.325  -0.325
  407    H    LYS  50           H        LYS  50  16.556  -0.775  -0.775
  408    HA   LYS  50           HA       LYS  50  16.489  -3.471  -3.471
  409   1HB   LYS  50          1HB       LYS  50  14.724  -1.820  -1.820
  410   2HB   LYS  50          2HB       LYS  50  15.800  -0.794  -0.794
  411   1HG   LYS  50          1HG       LYS  50  15.861  -2.482  -2.482
  412   2HG   LYS  50          2HG       LYS  50  14.772  -3.542  -3.542
  413   1HD   LYS  50          1HD       LYS  50  12.976  -1.796  -1.796
  414   2HD   LYS  50          2HD       LYS  50  14.081  -0.614  -0.614
  415   1HE   LYS  50          1HE       LYS  50  12.706  -1.291  -1.291
  416   2HE   LYS  50          2HE       LYS  50  14.291  -1.991  -1.991
  417   1HZ   LYS  50          1HZ       LYS  50  11.952  -3.454  -3.454
  418   2HZ   LYS  50          2HZ       LYS  50  12.511  -3.589  -3.589
  419   3HZ   LYS  50          3HZ       LYS  50  13.433  -4.129  -4.129
  420    H    GLU  51           H        GLU  51  18.409  -0.805  -0.805
  421    HA   GLU  51           HA       GLU  51  19.832  -2.376  -2.376
  422   1HB   GLU  51          1HB       GLU  51  21.377  -0.585  -0.585
  423   2HB   GLU  51          2HB       GLU  51  19.779   0.083   0.083
  424   1HG   GLU  51          1HG       GLU  51  20.459   0.498   0.498
  425   2HG   GLU  51          2HG       GLU  51  22.085   0.028   0.028
  426    H    LYS  52           H        LYS  52  20.369  -2.360  -2.360
  427    HA   LYS  52           HA       LYS  52  23.085  -3.684  -3.684
  428   1HB   LYS  52          1HB       LYS  52  21.303  -3.201  -3.201
  429   2HB   LYS  52          2HB       LYS  52  22.890  -3.933  -3.933
  430   1HG   LYS  52          1HG       LYS  52  22.323  -1.045  -1.045
  431   2HG   LYS  52          2HG       LYS  52  22.835  -1.531  -1.531
  432   1HD   LYS  52          1HD       LYS  52  25.010  -2.446  -2.446
  433   2HD   LYS  52          2HD       LYS  52  24.482  -1.962  -1.962
  434   1HE   LYS  52          1HE       LYS  52  25.993  -0.257  -0.257
  435   2HE   LYS  52          2HE       LYS  52  24.390   0.473   0.473
  436   1HZ   LYS  52          2HZ       LYS  52  25.848  -0.577  -0.577
  437   2HZ   LYS  52          3HZ       LYS  52  25.651   1.015   1.015
  438   3HZ   LYS  52          1HZ       LYS  52  24.343   0.104   0.104
  439    H    LEU  53           H        LEU  53  19.665  -4.679  -4.679
  440    HA   LEU  53           HA       LEU  53  20.291  -7.480  -7.480
  441   1HB   LEU  53          1HB       LEU  53  17.745  -5.944  -5.944
  442   2HB   LEU  53          2HB       LEU  53  17.737  -7.643  -7.643
  443    HG   LEU  53           HG       LEU  53  18.610  -5.546  -5.546
  444   1HD1  LEU  53          2HD1      LEU  53  16.189  -5.334  -5.334
  445   2HD1  LEU  53          3HD1      LEU  53  15.931  -7.067  -7.067
  446   3HD1  LEU  53          1HD1      LEU  53  16.399  -5.967  -5.967
  447   1HD2  LEU  53          1HD2      LEU  53  18.092  -8.575  -8.575
  448   2HD2  LEU  53          2HD2      LEU  53  19.668  -7.756  -7.756
  449   3HD2  LEU  53          3HD2      LEU  53  18.399  -7.407  -7.407
  450    H    LYS  54           H        LYS  54  19.693  -9.293  -9.293
  451    HA   LYS  54           HA       LYS  54  19.093  -8.797  -8.797
  452   1HB   LYS  54          1HB       LYS  54  21.052  -9.566  -9.566
  453   2HB   LYS  54          2HB       LYS  54  21.294  -8.026  -8.026
  454   1HG   LYS  54          1HG       LYS  54  22.446 -10.665 -10.665
  455   2HG   LYS  54          2HG       LYS  54  23.257  -9.646  -9.646
  456   1HD   LYS  54          1HD       LYS  54  23.237  -7.710  -7.710
  457   2HD   LYS  54          2HD       LYS  54  22.485  -8.749  -8.749
  458   1HE   LYS  54          1HE       LYS  54  24.476 -10.314 -10.314
  459   2HE   LYS  54          2HE       LYS  54  25.243  -9.272  -9.272
  460   1HZ   LYS  54          1HZ       LYS  54  24.503  -8.429  -8.429
  461   2HZ   LYS  54          2HZ       LYS  54  26.029  -8.769  -8.769
  462   3HZ   LYS  54          3HZ       LYS  54  25.218  -7.458  -7.458
  463    H    ILE  55           H        ILE  55  20.841 -11.303 -11.303
  464    HA   ILE  55           HA       ILE  55  18.914 -13.391 -13.391
  465    HB   ILE  55           HB       ILE  55  21.498 -13.857 -13.857
  466   1HG1  ILE  55          1HG1      ILE  55  22.167 -13.008 -13.008
  467   2HG1  ILE  55          2HG1      ILE  55  22.526 -14.710 -14.710
  468   1HG2  ILE  55          2HG2      ILE  55  19.917 -15.722 -15.722
  469   2HG2  ILE  55          3HG2      ILE  55  19.658 -15.920 -15.920
  470   3HG2  ILE  55          1HG2      ILE  55  21.251 -16.266 -16.266
  471   1HD1  ILE  55          2HD1      ILE  55  20.508 -15.223 -15.223
  472   2HD1  ILE  55          3HD1      ILE  55  20.166 -13.474 -13.474
  473   3HD1  ILE  55          1HD1      ILE  55  21.674 -14.129 -14.129
  474    H    ASP  56           H        ASP  56  17.154 -12.878 -12.878
  475    HA   ASP  56           HA       ASP  56  17.193 -12.543 -12.543
  476   1HB   ASP  56          1HB       ASP  56  14.964 -11.973 -11.973
  477   2HB   ASP  56          2HB       ASP  56  14.785 -11.807 -11.807
  478    H    SER  57           H        SER  57  14.500 -14.120 -14.120
  479    HA   SER  57           HA       SER  57  15.103 -16.757 -16.757
  480   1HB   SER  57          1HB       SER  57  12.376 -15.302 -15.302
  481   2HB   SER  57          2HB       SER  57  12.669 -16.971 -16.971
  482    HG   SER  57           HG       SER  57  12.804 -15.510 -15.510

  Start of MODEL   16
    1   1H    THR   1          3H        THR   1 -19.398   2.771   2.771
    2   2H    THR   1          1H        THR   1 -19.314   2.945   2.945
    3   3H    THR   1          2H        THR   1 -19.629   4.256   4.256
    4    HA   THR   1           HA       THR   1 -21.730   3.360   3.360
    5    HB   THR   1           HB       THR   1 -21.687   4.919   4.919
    6    HG1  THR   1           HG1      THR   1 -23.613   4.288   4.288
    7   1HG2  THR   1          2HG2      THR   1 -20.223   3.755   3.755
    8   2HG2  THR   1          3HG2      THR   1 -21.525   2.589   2.589
    9   3HG2  THR   1          1HG2      THR   1 -21.764   4.313   4.313
   10    HA   PRO   2           HA       PRO   2 -21.568  -1.270  -1.270
   11   1HB   PRO   2          1HB       PRO   2 -21.118  -2.321  -2.321
   12   2HB   PRO   2          2HB       PRO   2 -19.778  -1.600  -1.600
   13   1HG   PRO   2          1HG       PRO   2 -21.410  -0.307  -0.307
   14   2HG   PRO   2          2HG       PRO   2 -19.645  -0.307  -0.307
   15   1HD   PRO   2          1HD       PRO   2 -21.308   1.810   1.810
   16   2HD   PRO   2          2HD       PRO   2 -19.760   1.448   1.448
   17    H    ASP   3           H        ASP   3 -23.678  -1.007  -1.007
   18    HA   ASP   3           HA       ASP   3 -25.899  -0.692  -0.692
   19   1HB   ASP   3          1HB       ASP   3 -27.410  -0.580  -0.580
   20   2HB   ASP   3          2HB       ASP   3 -26.032   0.464   0.464
   21    H    VAL   4           H        VAL   4 -27.577  -1.999  -1.999
   22    HA   VAL   4           HA       VAL   4 -26.812  -4.863  -4.863
   23    HB   VAL   4           HB       VAL   4 -29.348  -3.510  -3.510
   24   1HG1  VAL   4          1HG1      VAL   4 -27.956  -6.100  -6.100
   25   2HG1  VAL   4          2HG1      VAL   4 -29.356  -5.334  -5.334
   26   3HG1  VAL   4          3HG1      VAL   4 -29.524  -5.990  -5.990
   27   1HG2  VAL   4          1HG2      VAL   4 -26.649  -3.841  -3.841
   28   2HG2  VAL   4          2HG2      VAL   4 -27.376  -2.299  -2.299
   29   3HG2  VAL   4          3HG2      VAL   4 -28.169  -3.271  -3.271
   30    H    SER   5           H        SER   5 -29.389  -3.208  -3.208
   31    HA   SER   5           HA       SER   5 -30.650  -5.692  -5.692
   32   1HB   SER   5          1HB       SER   5 -30.643  -2.935  -2.935
   33   2HB   SER   5          2HB       SER   5 -31.681  -4.283  -4.283
   34    HG   SER   5           HG       SER   5 -32.706  -2.863  -2.863
   35    H    SER   6           H        SER   6 -27.822  -4.610  -4.610
   36    HA   SER   6           HA       SER   6 -27.363  -6.540  -6.540
   37   1HB   SER   6          1HB       SER   6 -26.324  -4.379  -4.379
   38   2HB   SER   6          2HB       SER   6 -25.499  -4.326  -4.326
   39    HG   SER   6           HG       SER   6 -24.182  -5.070  -5.070
   40    H    ALA   7           H        ALA   7 -25.333  -5.589  -5.589
   41    HA   ALA   7           HA       ALA   7 -24.772  -6.647  -6.647
   42   1HB   ALA   7          2HB       ALA   7 -26.788  -8.028  -8.028
   43   2HB   ALA   7          3HB       ALA   7 -26.097  -9.288  -9.288
   44   3HB   ALA   7          1HB       ALA   7 -25.318  -8.881  -8.881
   45    H    LEU   8           H        LEU   8 -24.296  -8.293  -8.293
   46    HA   LEU   8           HA       LEU   8 -21.430  -7.917  -7.917
   47   1HB   LEU   8          1HB       LEU   8 -21.752 -10.092 -10.092
   48   2HB   LEU   8          2HB       LEU   8 -22.163 -10.914 -10.914
   49    HG   LEU   8           HG       LEU   8 -19.857 -11.294 -11.294
   50   1HD1  LEU   8          2HD1      LEU   8 -20.359 -11.583 -11.583
   51   2HD1  LEU   8          3HD1      LEU   8 -19.810  -9.920  -9.920
   52   3HD1  LEU   8          1HD1      LEU   8 -18.664 -11.137 -11.137
   53   1HD2  LEU   8          3HD2      LEU   8 -19.322  -9.040  -9.040
   54   2HD2  LEU   8          1HD2      LEU   8 -18.044  -9.634  -9.634
   55   3HD2  LEU   8          2HD2      LEU   8 -19.159  -8.367  -8.367
   56    H    ASP   9           H        ASP   9 -23.668  -9.953  -9.953
   57    HA   ASP   9           HA       ASP   9 -23.924 -10.301 -10.301
   58   1HB   ASP   9          1HB       ASP   9 -25.123  -8.337  -8.337
   59   2HB   ASP   9          2HB       ASP   9 -24.095  -7.300  -7.300
   60    H    LYS  10           H        LYS  10 -21.489 -10.355 -10.355
   61    HA   LYS  10           HA       LYS  10 -19.330 -10.765 -10.765
   62   1HB   LYS  10          2HB       LYS  10 -20.864 -11.466 -11.466
   63   2HB   LYS  10          1HB       LYS  10 -20.334  -9.989  -9.989
   64   1HG   LYS  10          1HG       LYS  10 -18.536 -12.331 -12.331
   65   2HG   LYS  10          2HG       LYS  10 -19.153 -12.097 -12.097
   66   1HD   LYS  10          1HD       LYS  10 -17.091 -11.269 -11.269
   67   2HD   LYS  10          2HD       LYS  10 -17.856  -9.758  -9.758
   68   1HE   LYS  10          1HE       LYS  10 -16.925 -10.148 -10.148
   69   2HE   LYS  10          2HE       LYS  10 -16.104 -11.582 -11.582
   70   1HZ   LYS  10          1HZ       LYS  10 -14.898 -10.147 -10.147
   71   2HZ   LYS  10          2HZ       LYS  10 -15.674  -8.805  -8.805
   72   3HZ   LYS  10          3HZ       LYS  10 -14.652  -9.652  -9.652
   73    H    LEU  11           H        LEU  11 -19.325  -8.750  -8.750
   74    HA   LEU  11           HA       LEU  11 -18.624  -6.597  -6.597
   75   1HB   LEU  11          1HB       LEU  11 -16.564  -7.182  -7.182
   76   2HB   LEU  11          2HB       LEU  11 -16.517  -5.743  -5.743
   77    HG   LEU  11           HG       LEU  11 -14.926  -7.264  -7.264
   78   1HD1  LEU  11          3HD2      LEU  11 -16.038  -5.798  -5.798
   79   2HD1  LEU  11          1HD2      LEU  11 -17.168  -7.110  -7.110
   80   3HD1  LEU  11          2HD2      LEU  11 -15.425  -7.297  -7.297
   81   1HD2  LEU  11          1HD1      LEU  11 -15.870  -9.469  -9.469
   82   2HD2  LEU  11          2HD1      LEU  11 -15.328  -9.461  -9.461
   83   3HD2  LEU  11          3HD1      LEU  11 -17.064  -9.377  -9.377
   84    H    LYS  12           H        LYS  12 -20.925  -6.266  -6.266
   85    HA   LYS  12           HA       LYS  12 -20.497  -3.545  -3.545
   86   1HB   LYS  12          1HB       LYS  12 -21.451  -4.421  -4.421
   87   2HB   LYS  12          2HB       LYS  12 -22.186  -5.775  -5.775
   88   1HG   LYS  12          1HG       LYS  12 -23.557  -3.016  -3.016
   89   2HG   LYS  12          2HG       LYS  12 -23.664  -4.039  -4.039
   90   1HD   LYS  12          1HD       LYS  12 -24.676  -5.885  -5.885
   91   2HD   LYS  12          2HD       LYS  12 -24.445  -5.132  -5.132
   92   1HE   LYS  12          1HE       LYS  12 -26.006  -3.238  -3.238
   93   2HE   LYS  12          2HE       LYS  12 -26.249  -3.996  -3.996
   94   1HZ   LYS  12          2HZ       LYS  12 -26.935  -5.243  -5.243
   95   2HZ   LYS  12          3HZ       LYS  12 -28.008  -4.590  -4.590
   96   3HZ   LYS  12          1HZ       LYS  12 -27.162  -5.951  -5.951
   97    H    GLU  13           H        GLU  13 -20.092  -3.463  -3.463
   98    HA   GLU  13           HA       GLU  13 -21.886  -1.586  -1.586
   99   1HB   GLU  13          1HB       GLU  13 -22.852  -2.577  -2.577
  100   2HB   GLU  13          2HB       GLU  13 -23.526  -3.209  -3.209
  101   1HG   GLU  13          1HG       GLU  13 -23.420  -5.156  -5.156
  102   2HG   GLU  13          2HG       GLU  13 -21.887  -5.296  -5.296
  103    H    PHE  14           H        PHE  14 -19.662  -4.174  -4.174
  104    HA   PHE  14           HA       PHE  14 -17.972  -2.146  -2.146
  105   1HB   PHE  14          1HB       PHE  14 -18.279  -4.470  -4.470
  106   2HB   PHE  14          2HB       PHE  14 -17.403  -5.131  -5.131
  107    HD1  PHE  14           HD1      PHE  14 -17.136  -2.725  -2.725
  108    HD2  PHE  14           HD2      PHE  14 -14.931  -5.098  -5.098
  109    HE1  PHE  14           HE1      PHE  14 -15.032  -2.191  -2.191
  110    HE2  PHE  14           HE2      PHE  14 -12.843  -4.560  -4.560
  111    HZ   PHE  14           HZ       PHE  14 -12.886  -3.103  -3.103
  112    H    GLY  15           H        GLY  15 -17.947  -3.775  -3.775
  113   1HA   GLY  15          1HA       GLY  15 -15.418  -2.614  -2.614
  114   2HA   GLY  15          2HA       GLY  15 -16.783  -3.076  -3.076
  115    H    ASN  16           H        ASN  16 -18.763  -1.383  -1.383
  116    HA   ASN  16           HA       ASN  16 -18.210   1.322   1.322
  117   1HB   ASN  16          1HB       ASN  16 -20.542   0.277   0.277
  118   2HB   ASN  16          2HB       ASN  16 -20.448   1.915   1.915
  119   1HD2  ASN  16          1HD2      ASN  16 -21.417   1.105   1.105
  120   2HD2  ASN  16          2HD2      ASN  16 -20.581   2.334   2.334
  121    H    THR  17           H        THR  17 -18.016  -0.028  -0.028
  122    HA   THR  17           HA       THR  17 -17.527   2.506   2.506
  123    HB   THR  17           HB       THR  17 -16.559  -0.307  -0.307
  124    HG1  THR  17           HG1      THR  17 -18.910   1.123   1.123
  125   1HG2  THR  17          3HG2      THR  17 -17.054   2.185   2.185
  126   2HG2  THR  17          1HG2      THR  17 -16.673   0.546   0.546
  127   3HG2  THR  17          2HG2      THR  17 -15.465   1.447   1.447
  128    H    LEU  18           H        LEU  18 -15.194   0.072   0.072
  129    HA   LEU  18           HA       LEU  18 -12.957   2.025   2.025
  130   1HB   LEU  18          1HB       LEU  18 -11.384   0.395   0.395
  131   2HB   LEU  18          2HB       LEU  18 -12.479  -0.239  -0.239
  132    HG   LEU  18           HG       LEU  18 -13.708  -1.482  -1.482
  133   1HD1  LEU  18          3HD1      LEU  18 -11.095  -0.729  -0.729
  134   2HD1  LEU  18          1HD1      LEU  18 -12.234  -1.997  -1.997
  135   3HD1  LEU  18          2HD1      LEU  18 -12.752  -0.310  -0.310
  136   1HD2  LEU  18          3HD2      LEU  18 -12.277  -2.617  -2.617
  137   2HD2  LEU  18          1HD2      LEU  18 -12.063  -3.355  -3.355
  138   3HD2  LEU  18          2HD2      LEU  18 -10.817  -2.257  -2.257
  139    H    GLU  19           H        GLU  19 -15.200   2.175   2.175
  140    HA   GLU  19           HA       GLU  19 -13.602   3.171   3.171
  141   1HB   GLU  19          1HB       GLU  19 -15.772   2.009   2.009
  142   2HB   GLU  19          2HB       GLU  19 -16.619   3.309   3.309
  143   1HG   GLU  19          1HG       GLU  19 -14.869   3.641   3.641
  144   2HG   GLU  19          2HG       GLU  19 -16.588   3.310   3.310
  145    H    ASP  20           H        ASP  20 -15.923   4.568   4.568
  146    HA   ASP  20           HA       ASP  20 -15.085   7.339   7.339
  147   1HB   ASP  20          1HB       ASP  20 -16.383   7.922   7.922
  148   2HB   ASP  20          2HB       ASP  20 -17.250   6.830   6.830
  149    H    LYS  21           H        LYS  21 -13.944   4.987   4.987
  150    HA   LYS  21           HA       LYS  21 -12.017   6.677   6.677
  151   1HB   LYS  21          1HB       LYS  21 -11.923   3.660   3.660
  152   2HB   LYS  21          2HB       LYS  21 -10.776   4.456   4.456
  153   1HG   LYS  21          1HG       LYS  21 -12.501   5.134   5.134
  154   2HG   LYS  21          2HG       LYS  21 -13.795   4.620   4.620
  155   1HD   LYS  21          1HD       LYS  21 -13.596   2.944   2.944
  156   2HD   LYS  21          2HD       LYS  21 -13.068   2.231   2.231
  157   1HE   LYS  21          1HE       LYS  21 -10.633   2.531   2.531
  158   2HE   LYS  21          2HE       LYS  21 -11.179   3.264   3.264
  159   1HZ   LYS  21          2HZ       LYS  21 -12.321   1.168   1.168
  160   2HZ   LYS  21          3HZ       LYS  21 -11.812   0.490   0.490
  161   3HZ   LYS  21          1HZ       LYS  21 -10.710   0.908   0.908
  162    H    ALA  22           H        ALA  22 -11.398   4.581   4.581
  163    HA   ALA  22           HA       ALA  22  -8.631   5.486   5.486
  164   1HB   ALA  22          2HB       ALA  22  -9.478   3.358   3.358
  165   2HB   ALA  22          3HB       ALA  22 -10.594   4.248   4.248
  166   3HB   ALA  22          1HB       ALA  22  -8.831   4.408   4.408
  167    H    ARG  23           H        ARG  23 -11.694   6.656   6.656
  168    HA   ARG  23           HA       ARG  23 -10.531   8.699   8.699
  169   1HB   ARG  23          1HB       ARG  23 -12.887   7.751   7.751
  170   2HB   ARG  23          2HB       ARG  23 -13.309   8.696   8.696
  171   1HG   ARG  23          1HG       ARG  23 -12.781  10.816  10.816
  172   2HG   ARG  23          2HG       ARG  23 -12.291   9.843   9.843
  173   1HD   ARG  23          1HD       ARG  23 -14.649   8.856   8.856
  174   2HD   ARG  23          2HD       ARG  23 -15.124   9.877   9.877
  175    HE   ARG  23           HE       ARG  23 -13.996  11.576  11.576
  176   1HH1  ARG  23          1HH1      ARG  23 -16.918   9.665   9.665
  177   2HH1  ARG  23          2HH1      ARG  23 -17.893  10.735  10.735
  178   1HH2  ARG  23          1HH2      ARG  23 -15.204  12.732  12.732
  179   2HH2  ARG  23          2HH2      ARG  23 -16.986  12.353  12.353
  180    H    GLU  24           H        GLU  24 -11.625   8.967   8.967
  181    HA   GLU  24           HA       GLU  24 -10.851  11.763  11.763
  182   1HB   GLU  24          1HB       GLU  24 -12.393  10.387  10.387
  183   2HB   GLU  24          2HB       GLU  24 -11.024   9.427   9.427
  184   1HG   GLU  24          1HG       GLU  24  -9.985  11.562  11.562
  185   2HG   GLU  24          2HG       GLU  24 -11.403  12.465  12.465
  186    H    LEU  25           H        LEU  25  -8.943   8.717   8.717
  187    HA   LEU  25           HA       LEU  25  -6.628  10.174  10.174
  188   1HB   LEU  25          1HB       LEU  25  -7.235   7.257   7.257
  189   2HB   LEU  25          2HB       LEU  25  -5.559   7.712   7.712
  190    HG   LEU  25           HG       LEU  25  -5.731   8.606   8.606
  191   1HD1  LEU  25          2HD1      LEU  25  -8.085   9.435   9.435
  192   2HD1  LEU  25          3HD1      LEU  25  -8.704   7.768   7.768
  193   3HD1  LEU  25          1HD1      LEU  25  -7.743   8.320   8.320
  194   1HD2  LEU  25          2HD2      LEU  25  -5.195   6.186   6.186
  195   2HD2  LEU  25          3HD2      LEU  25  -6.062   6.436   6.436
  196   3HD2  LEU  25          1HD2      LEU  25  -6.922   5.765   5.765
  197    H    ILE  26           H        ILE  26  -7.122   8.782   8.782
  198    HA   ILE  26           HA       ILE  26  -4.493   9.714   9.714
  199    HB   ILE  26           HB       ILE  26  -7.024   8.682   8.682
  200   1HG1  ILE  26          1HG1      ILE  26  -5.491   6.913   6.913
  201   2HG1  ILE  26          2HG1      ILE  26  -4.110   7.648   7.648
  202   1HG2  ILE  26          3HG2      ILE  26  -4.583   9.746   9.746
  203   2HG2  ILE  26          1HG2      ILE  26  -5.899   8.758   8.758
  204   3HG2  ILE  26          2HG2      ILE  26  -6.249  10.371  10.371
  205   1HD1  ILE  26          3HD1      ILE  26  -6.528   6.330   6.330
  206   2HD1  ILE  26          1HD1      ILE  26  -4.934   5.597   5.597
  207   3HD1  ILE  26          2HD1      ILE  26  -5.087   6.987   6.987
  208    H    SER  27           H        SER  27  -7.753  11.275  11.275
  209    HA   SER  27           HA       SER  27  -6.873  13.795  13.795
  210   1HB   SER  27          1HB       SER  27  -9.270  13.061  13.061
  211   2HB   SER  27          2HB       SER  27  -9.204  13.349  13.349
  212    HG   SER  27           HG       SER  27  -8.648  15.523  15.523
  213    H    ARG  28           H        ARG  28  -6.735  12.769  12.769
  214    HA   ARG  28           HA       ARG  28  -5.768  15.340  15.340
  215   1HB   ARG  28          1HB       ARG  28  -6.840  13.664  13.664
  216   2HB   ARG  28          2HB       ARG  28  -5.658  12.446  12.446
  217   1HG   ARG  28          1HG       ARG  28  -5.168  13.179  13.179
  218   2HG   ARG  28          2HG       ARG  28  -3.852  13.710  13.710
  219   1HD   ARG  28          1HD       ARG  28  -4.919  16.045  16.045
  220   2HD   ARG  28          2HD       ARG  28  -6.165  15.484  15.484
  221    HE   ARG  28           HE       ARG  28  -3.704  14.830  14.830
  222   1HH1  ARG  28          1HH1      ARG  28  -5.170  17.844  17.844
  223   2HH1  ARG  28          2HH1      ARG  28  -4.261  18.805  18.805
  224   1HH2  ARG  28          1HH2      ARG  28  -2.721  16.024  16.024
  225   2HH2  ARG  28          2HH2      ARG  28  -2.969  17.841  17.841
  226    H    ILE  29           H        ILE  29  -4.034  12.284  12.284
  227    HA   ILE  29           HA       ILE  29  -1.451  13.108  13.108
  228    HB   ILE  29           HB       ILE  29  -2.580  10.963  10.963
  229   1HG1  ILE  29          1HG1      ILE  29  -2.671  10.683  10.683
  230   2HG1  ILE  29          2HG1      ILE  29  -1.789   9.410   9.410
  231   1HG2  ILE  29          3HG2      ILE  29   0.458  11.323  11.323
  232   2HG2  ILE  29          1HG2      ILE  29  -0.371   9.815   9.815
  233   3HG2  ILE  29          2HG2      ILE  29  -0.579  11.277  11.277
  234   1HD1  ILE  29          2HD1      ILE  29   0.407  10.481  10.481
  235   2HD1  ILE  29          3HD1      ILE  29  -0.510  11.748  11.748
  236   3HD1  ILE  29          1HD1      ILE  29  -0.643  10.052  10.052
  237    H    LYS  30           H        LYS  30  -2.243  12.995  12.995
  238    HA   LYS  30           HA       LYS  30   0.109  14.623  14.623
  239   1HB   LYS  30          1HB       LYS  30  -0.139  14.349  14.349
  240   2HB   LYS  30          2HB       LYS  30  -0.858  12.899  12.899
  241   1HG   LYS  30          1HG       LYS  30  -2.385  15.352  15.352
  242   2HG   LYS  30          2HG       LYS  30  -1.979  13.898  13.898
  243   1HD   LYS  30          1HD       LYS  30  -3.412  12.522  12.522
  244   2HD   LYS  30          2HD       LYS  30  -3.889  14.016  14.016
  245   1HE   LYS  30          1HE       LYS  30  -4.884  14.914  14.914
  246   2HE   LYS  30          2HE       LYS  30  -4.344  13.478  13.478
  247   1HZ   LYS  30          1HZ       LYS  30  -5.784  12.126  12.126
  248   2HZ   LYS  30          2HZ       LYS  30  -6.295  13.463  13.463
  249   3HZ   LYS  30          3HZ       LYS  30  -6.655  13.294  13.294
  250    H    GLN  31           H        GLN  31  -2.289  15.911  15.911
  251    HA   GLN  31           HA       GLN  31  -1.196  18.583  18.583
  252   1HB   GLN  31          1HB       GLN  31  -3.343  18.379  18.379
  253   2HB   GLN  31          2HB       GLN  31  -4.244  18.340  18.340
  254   1HG   GLN  31          1HG       GLN  31  -3.250  20.564  20.564
  255   2HG   GLN  31          2HG       GLN  31  -2.254  20.510  20.510
  256   1HE2  GLN  31          2HE2      GLN  31  -4.938  21.796  21.796
  257   2HE2  GLN  31          1HE2      GLN  31  -3.213  21.179  21.179
  258    H    SER  32           H        SER  32  -0.571  16.908  16.908
  259    HA   SER  32           HA       SER  32  -1.260  18.870  18.870
  260   1HB   SER  32          1HB       SER  32  -1.753  17.121  17.121
  261   2HB   SER  32          2HB       SER  32  -2.870  16.979  16.979
  262    HG   SER  32           HG       SER  32  -1.511  15.311  15.311
  263    H    GLU  33           H        GLU  33   0.155  18.985  18.985
  264    HA   GLU  33           HA       GLU  33   2.949  17.926  17.926
  265   1HB   GLU  33          1HB       GLU  33   3.575  19.245  19.245
  266   2HB   GLU  33          2HB       GLU  33   2.546  20.246  20.246
  267   1HG   GLU  33          1HG       GLU  33   1.765  18.883  18.883
  268   2HG   GLU  33          2HG       GLU  33   2.223  20.558  20.558
  269    H    LEU  34           H        LEU  34   0.487  16.124  16.124
  270    HA   LEU  34           HA       LEU  34   1.566  14.610  14.610
  271   1HB   LEU  34          1HB       LEU  34  -0.886  15.015  15.015
  272   2HB   LEU  34          2HB       LEU  34  -0.993  14.211  14.211
  273    HG   LEU  34           HG       LEU  34  -1.850  13.015  13.015
  274   1HD1  LEU  34          3HD1      LEU  34  -1.427  11.763  11.763
  275   2HD1  LEU  34          1HD1      LEU  34   0.213  11.348  11.348
  276   3HD1  LEU  34          2HD1      LEU  34  -1.203  10.750  10.750
  277   1HD2  LEU  34          3HD2      LEU  34  -0.042  13.553  13.553
  278   2HD2  LEU  34          1HD2      LEU  34  -0.377  11.811  11.811
  279   3HD2  LEU  34          2HD2      LEU  34   1.078  12.471  12.471
  280    H    SER  35           H        SER  35   1.102  14.377  14.377
  281    HA   SER  35           HA       SER  35   2.312  11.850  11.850
  282   1HB   SER  35          1HB       SER  35   2.571  12.422  12.422
  283   2HB   SER  35          2HB       SER  35   1.051  13.082  13.082
  284    HG   SER  35           HG       SER  35   2.108  15.108  15.108
  285    H    ALA  36           H        ALA  36   4.428  14.922  14.922
  286    HA   ALA  36           HA       ALA  36   6.911  13.513  13.513
  287   1HB   ALA  36          2HB       ALA  36   6.672  15.989  15.989
  288   2HB   ALA  36          3HB       ALA  36   6.189  16.090  16.090
  289   3HB   ALA  36          1HB       ALA  36   7.831  15.561  15.561
  290    H    LYS  37           H        LYS  37   4.615  13.286  13.286
  291    HA   LYS  37           HA       LYS  37   6.596  12.407  12.407
  292   1HB   LYS  37          1HB       LYS  37   3.570  12.166  12.166
  293   2HB   LYS  37          2HB       LYS  37   4.798  11.959  11.959
  294   1HG   LYS  37          1HG       LYS  37   4.056  14.607  14.607
  295   2HG   LYS  37          2HG       LYS  37   3.541  14.085  14.085
  296   1HD   LYS  37          1HD       LYS  37   5.946  14.129  14.129
  297   2HD   LYS  37          2HD       LYS  37   6.476  14.599  14.599
  298   1HE   LYS  37          1HE       LYS  37   6.444  16.615  16.615
  299   2HE   LYS  37          2HE       LYS  37   5.107  16.740  16.740
  300   1HZ   LYS  37          1HZ       LYS  37   4.862  15.969  15.969
  301   2HZ   LYS  37          2HZ       LYS  37   4.456  17.432  17.432
  302   3HZ   LYS  37          3HZ       LYS  37   3.596  16.080  16.080
  303    H    MET  38           H        MET  38   3.942  10.923  10.923
  304    HA   MET  38           HA       MET  38   4.559   8.108   8.108
  305   1HB   MET  38          1HB       MET  38   3.576   9.557   9.557
  306   2HB   MET  38          2HB       MET  38   3.630   7.827   7.827
  307   1HG   MET  38          1HG       MET  38   1.809   9.752   9.752
  308   2HG   MET  38          2HG       MET  38   1.352   8.594   8.594
  309   1HE   MET  38          2HE       MET  38   1.230   5.972   5.972
  310   2HE   MET  38          1HE       MET  38   2.946   5.786   5.786
  311   3HE   MET  38          3HE       MET  38   1.651   5.113   5.113
  312    H    ARG  39           H        ARG  39   6.083  10.439  10.439
  313    HA   ARG  39           HA       ARG  39   7.599   8.397   8.397
  314   1HB   ARG  39          1HB       ARG  39   6.698  10.627  10.627
  315   2HB   ARG  39          2HB       ARG  39   8.002  11.448  11.448
  316   1HG   ARG  39          1HG       ARG  39   9.668  10.196  10.196
  317   2HG   ARG  39          2HG       ARG  39   8.370   9.275   9.275
  318   1HD   ARG  39          1HD       ARG  39   8.791  12.332  12.332
  319   2HD   ARG  39          2HD       ARG  39   9.164  11.148  11.148
  320    HE   ARG  39           HE       ARG  39   6.692  10.628  10.628
  321   1HH1  ARG  39          1HH1      ARG  39   7.402  13.605  13.605
  322   2HH1  ARG  39          2HH1      ARG  39   5.691  14.197  14.197
  323   1HH2  ARG  39          1HH2      ARG  39   4.799  11.424  11.424
  324   2HH2  ARG  39          2HH2      ARG  39   4.322  13.047  13.047
  325    H    GLU  40           H        GLU  40   8.607  10.785  10.785
  326    HA   GLU  40           HA       GLU  40  11.364   9.832   9.832
  327   1HB   GLU  40          1HB       GLU  40  10.427  12.030  12.030
  328   2HB   GLU  40          2HB       GLU  40   9.555  11.129  11.129
  329   1HG   GLU  40          1HG       GLU  40  11.831  10.272  10.272
  330   2HG   GLU  40          2HG       GLU  40  12.630  11.252  11.252
  331    H    TRP  41           H        TRP  41   8.297   8.803   8.803
  332    HA   TRP  41           HA       TRP  41   9.420   6.721   6.721
  333   1HB   TRP  41          1HB       TRP  41   7.156   7.725   7.725
  334   2HB   TRP  41          2HB       TRP  41   6.594   6.996   6.996
  335    HD1  TRP  41           HD1      TRP  41   7.205   6.220   6.220
  336    HE1  TRP  41           HE1      TRP  41   6.316   3.826   3.826
  337    HE3  TRP  41           HE3      TRP  41   6.428   4.561   4.561
  338    HZ2  TRP  41           HZ2      TRP  41   5.419   1.577   1.577
  339    HZ3  TRP  41           HZ3      TRP  41   5.571   2.250   2.250
  340    HH2  TRP  41           HH2      TRP  41   5.083   0.791   0.791
  341    H    PHE  42           H        PHE  42   8.427   6.507   6.507
  342    HA   PHE  42           HA       PHE  42   8.722   3.539   3.539
  343   1HB   PHE  42          1HB       PHE  42   8.714   5.646   5.646
  344   2HB   PHE  42          2HB       PHE  42   8.913   3.946   3.946
  345    HD1  PHE  42           HD2      PHE  42   7.008   2.347   2.347
  346    HD2  PHE  42           HD1      PHE  42   6.479   6.372   6.372
  347    HE1  PHE  42           HE2      PHE  42   4.590   1.977   1.977
  348    HE2  PHE  42           HE1      PHE  42   4.064   5.984   5.984
  349    HZ   PHE  42           HZ       PHE  42   3.110   3.792   3.792
  350    H    SER  43           H        SER  43  10.949   6.190   6.190
  351    HA   SER  43           HA       SER  43  13.296   4.569   4.569
  352   1HB   SER  43          1HB       SER  43  13.251   7.392   7.392
  353   2HB   SER  43          2HB       SER  43  14.688   6.573   6.573
  354    HG   SER  43           HG       SER  43  13.638   6.397   6.397
  355    H    GLU  44           H        GLU  44  12.326   5.988   5.988
  356    HA   GLU  44           HA       GLU  44  14.334   4.735   4.735
  357   1HB   GLU  44          1HB       GLU  44  11.458   5.635   5.635
  358   2HB   GLU  44          2HB       GLU  44  12.588   5.113   5.113
  359   1HG   GLU  44          1HG       GLU  44  14.155   6.965   6.965
  360   2HG   GLU  44          2HG       GLU  44  13.179   7.506   7.506
  361    H    THR  45           H        THR  45  11.197   3.397   3.397
  362    HA   THR  45           HA       THR  45  11.481   0.951   0.951
  363    HB   THR  45           HB       THR  45   9.335   1.648   1.648
  364    HG1  THR  45           HG1      THR  45   8.164   2.151   2.151
  365   1HG2  THR  45          3HG2      THR  45   9.310  -0.497  -0.497
  366   2HG2  THR  45          1HG2      THR  45   7.912  -0.018  -0.018
  367   3HG2  THR  45          2HG2      THR  45   9.304  -0.814  -0.814
  368    H    PHE  46           H        PHE  46  11.523   1.567   1.567
  369    HA   PHE  46           HA       PHE  46  12.262  -1.272  -1.272
  370   1HB   PHE  46          1HB       PHE  46  10.804   0.094   0.094
  371   2HB   PHE  46          2HB       PHE  46  12.232   0.920   0.920
  372    HD1  PHE  46           HD2      PHE  46  10.349  -2.294  -2.294
  373    HD2  PHE  46           HD1      PHE  46  13.819  -0.354  -0.354
  374    HE1  PHE  46           HE2      PHE  46  10.716  -4.206  -4.206
  375    HE2  PHE  46           HE1      PHE  46  14.169  -2.282  -2.282
  376    HZ   PHE  46           HZ       PHE  46  12.627  -4.211  -4.211
  377    H    GLN  47           H        GLN  47  13.899  -1.675  -1.675
  378    HA   GLN  47           HA       GLN  47  16.698  -1.381  -1.381
  379   1HB   GLN  47          1HB       GLN  47  17.653  -0.027  -0.027
  380   2HB   GLN  47          2HB       GLN  47  16.892   0.885   0.885
  381   1HG   GLN  47          1HG       GLN  47  14.967   1.495   1.495
  382   2HG   GLN  47          2HG       GLN  47  15.522   0.440   0.440
  383   1HE2  GLN  47          2HE2      GLN  47  17.405   4.085   4.085
  384   2HE2  GLN  47          1HE2      GLN  47  16.373   3.399   3.399
  385    H    LYS  48           H        LYS  48  14.561  -1.397  -1.397
  386    HA   LYS  48           HA       LYS  48  15.696  -3.885  -3.885
  387   1HB   LYS  48          1HB       LYS  48  12.945  -2.571  -2.571
  388   2HB   LYS  48          2HB       LYS  48  13.551  -3.938  -3.938
  389   1HG   LYS  48          1HG       LYS  48  15.393  -2.563  -2.563
  390   2HG   LYS  48          2HG       LYS  48  14.927  -1.179  -1.179
  391   1HD   LYS  48          1HD       LYS  48  12.635  -1.179  -1.179
  392   2HD   LYS  48          2HD       LYS  48  13.155  -2.500  -2.500
  393   1HE   LYS  48          1HE       LYS  48  15.003  -0.997  -0.997
  394   2HE   LYS  48          2HE       LYS  48  14.459   0.313   0.313
  395   1HZ   LYS  48          1HZ       LYS  48  12.299   0.258   0.258
  396   2HZ   LYS  48          2HZ       LYS  48  12.805  -0.964  -0.964
  397   3HZ   LYS  48          3HZ       LYS  48  13.521   0.523   0.523
  398    H    VAL  49           H        VAL  49  12.820  -3.144  -3.144
  399    HA   VAL  49           HA       VAL  49  12.084  -5.932  -5.932
  400    HB   VAL  49           HB       VAL  49  11.525  -3.610  -3.610
  401   1HG1  VAL  49          3HG1      VAL  49  10.875  -5.829  -5.829
  402   2HG1  VAL  49          1HG1      VAL  49   9.895  -6.184  -6.184
  403   3HG1  VAL  49          2HG1      VAL  49   9.428  -4.872  -4.872
  404   1HG2  VAL  49          3HG2      VAL  49  10.682  -2.808  -2.808
  405   2HG2  VAL  49          1HG2      VAL  49   9.320  -3.177  -3.177
  406   3HG2  VAL  49          2HG2      VAL  49   9.771  -4.320  -4.320
  407    H    LYS  50           H        LYS  50  14.317  -3.587  -3.587
  408    HA   LYS  50           HA       LYS  50  14.568  -5.072  -5.072
  409   1HB   LYS  50          1HB       LYS  50  15.182  -2.664  -2.664
  410   2HB   LYS  50          2HB       LYS  50  16.496  -3.214  -3.214
  411   1HG   LYS  50          1HG       LYS  50  17.585  -4.273  -4.273
  412   2HG   LYS  50          2HG       LYS  50  16.340  -3.582  -3.582
  413   1HD   LYS  50          1HD       LYS  50  18.025  -1.905  -1.905
  414   2HD   LYS  50          2HD       LYS  50  18.643  -2.321  -2.321
  415   1HE   LYS  50          1HE       LYS  50  16.069  -0.676  -0.676
  416   2HE   LYS  50          2HE       LYS  50  17.656   0.014   0.014
  417   1HZ   LYS  50          2HZ       LYS  50  17.677  -1.065  -1.065
  418   2HZ   LYS  50          3HZ       LYS  50  16.185  -1.723  -1.723
  419   3HZ   LYS  50          1HZ       LYS  50  16.357  -0.084  -0.084
  420    H    GLU  51           H        GLU  51  16.463  -5.372  -5.372
  421    HA   GLU  51           HA       GLU  51  18.457  -7.345  -7.345
  422   1HB   GLU  51          1HB       GLU  51  16.955  -6.928  -6.928
  423   2HB   GLU  51          2HB       GLU  51  18.271  -8.075  -8.075
  424   1HG   GLU  51          1HG       GLU  51  19.912  -6.332  -6.332
  425   2HG   GLU  51          2HG       GLU  51  18.680  -5.086  -5.086
  426    H    LYS  52           H        LYS  52  14.997  -7.887  -7.887
  427    HA   LYS  52           HA       LYS  52  15.348 -10.912 -10.912
  428   1HB   LYS  52          1HB       LYS  52  12.841  -9.319  -9.319
  429   2HB   LYS  52          2HB       LYS  52  12.924 -11.059 -11.059
  430   1HG   LYS  52          1HG       LYS  52  14.451  -9.386  -9.386
  431   2HG   LYS  52          2HG       LYS  52  12.971 -10.289 -10.289
  432   1HD   LYS  52          1HD       LYS  52  14.151 -12.451 -12.451
  433   2HD   LYS  52          2HD       LYS  52  15.660 -11.595 -11.595
  434   1HE   LYS  52          1HE       LYS  52  14.133 -11.592 -11.592
  435   2HE   LYS  52          2HE       LYS  52  15.447 -12.693 -12.693
  436   1HZ   LYS  52          1HZ       LYS  52  16.932 -10.780 -10.780
  437   2HZ   LYS  52          2HZ       LYS  52  15.714  -9.731  -9.731
  438   3HZ   LYS  52          3HZ       LYS  52  16.258 -10.808 -10.808
  439    H    LEU  53           H        LEU  53  12.969  -8.506  -8.506
  440    HA   LEU  53           HA       LEU  53  12.871  -9.967  -9.967
  441   1HB   LEU  53          1HB       LEU  53  11.056  -7.862  -7.862
  442   2HB   LEU  53          2HB       LEU  53  10.944  -8.407  -8.407
  443    HG   LEU  53           HG       LEU  53  10.551 -10.791 -10.791
  444   1HD1  LEU  53          2HD2      LEU  53  10.236  -9.428  -9.428
  445   2HD1  LEU  53          3HD2      LEU  53   9.597 -11.043 -11.043
  446   3HD1  LEU  53          1HD2      LEU  53  11.336 -10.763 -10.763
  447   1HD2  LEU  53          2HD1      LEU  53   8.714  -9.299  -9.299
  448   2HD2  LEU  53          3HD1      LEU  53   8.132 -10.351 -10.351
  449   3HD2  LEU  53          1HD1      LEU  53   8.489  -8.636  -8.636
  450    H    LYS  54           H        LYS  54  14.908  -9.099  -9.099
  451    HA   LYS  54           HA       LYS  54  15.482  -6.190  -6.190
  452   1HB   LYS  54          1HB       LYS  54  17.243  -7.999  -7.999
  453   2HB   LYS  54          2HB       LYS  54  17.056  -8.325  -8.325
  454   1HG   LYS  54          1HG       LYS  54  17.746  -5.952  -5.952
  455   2HG   LYS  54          2HG       LYS  54  17.820  -5.579  -5.579
  456   1HD   LYS  54          1HD       LYS  54  19.636  -7.320  -7.320
  457   2HD   LYS  54          2HD       LYS  54  19.581  -7.669  -7.669
  458   1HE   LYS  54          1HE       LYS  54  20.239  -5.268  -5.268
  459   2HE   LYS  54          2HE       LYS  54  20.272  -4.903  -4.903
  460   1HZ   LYS  54          2HZ       LYS  54  22.006  -6.909  -6.909
  461   2HZ   LYS  54          3HZ       LYS  54  22.477  -5.413  -5.413
  462   3HZ   LYS  54          1HZ       LYS  54  22.038  -6.570  -6.570
  463    H    ILE  55           H        ILE  55  14.501  -4.814  -4.814
  464    HA   ILE  55           HA       ILE  55  14.244  -5.295  -5.295
  465    HB   ILE  55           HB       ILE  55  12.413  -3.477  -3.477
  466   1HG1  ILE  55          1HG1      ILE  55  11.714  -5.753  -5.753
  467   2HG1  ILE  55          2HG1      ILE  55  10.522  -4.925  -4.925
  468   1HG2  ILE  55          2HG2      ILE  55  12.781  -2.539  -2.539
  469   2HG2  ILE  55          3HG2      ILE  55  12.339  -4.081  -4.081
  470   3HG2  ILE  55          1HG2      ILE  55  11.122  -3.142  -3.142
  471   1HD1  ILE  55          1HD1      ILE  55  12.497  -7.052  -7.052
  472   2HD1  ILE  55          2HD1      ILE  55  10.773  -7.291  -7.291
  473   3HD1  ILE  55          3HD1      ILE  55  11.263  -6.218  -6.218
  474    H    ASP  56           H        ASP  56  16.276  -4.574  -4.574
  475    HA   ASP  56           HA       ASP  56  17.438  -2.258  -2.258
  476   1HB   ASP  56          1HB       ASP  56  18.705  -4.329  -4.329
  477   2HB   ASP  56          2HB       ASP  56  18.638  -3.841  -3.841
  478    H    SER  57           H        SER  57  17.378  -2.555  -2.555
  479    HA   SER  57           HA       SER  57  16.917  -1.058  -1.058
  480   1HB   SER  57          1HB       SER  57  14.656  -0.802  -0.802
  481   2HB   SER  57          2HB       SER  57  15.216   0.609   0.609
  482    HG   SER  57           HG       SER  57  15.779   1.556   1.556

  Start of MODEL   17
    1   1H    THR   1          2H        THR   1 -25.052  -7.822  -7.822
    2   2H    THR   1          3H        THR   1 -24.418  -9.163  -9.163
    3   3H    THR   1          1H        THR   1 -23.487  -8.261  -8.261
    4    HA   THR   1           HA       THR   1 -23.561  -6.382  -6.382
    5    HB   THR   1           HB       THR   1 -22.581  -9.046  -9.046
    6    HG1  THR   1           HG1      THR   1 -21.260  -6.880  -6.880
    7   1HG2  THR   1          3HG2      THR   1 -21.689  -6.303  -6.303
    8   2HG2  THR   1          1HG2      THR   1 -20.962  -7.882  -7.882
    9   3HG2  THR   1          2HG2      THR   1 -22.611  -7.544  -7.544
   10    HA   PRO   2           HA       PRO   2 -27.326  -6.702  -6.702
   11   1HB   PRO   2          1HB       PRO   2 -27.355  -4.167  -4.167
   12   2HB   PRO   2          2HB       PRO   2 -27.672  -4.356  -4.356
   13   1HG   PRO   2          1HG       PRO   2 -25.033  -3.592  -3.592
   14   2HG   PRO   2          2HG       PRO   2 -25.838  -2.829  -2.829
   15   1HD   PRO   2          1HD       PRO   2 -23.797  -4.663  -4.663
   16   2HD   PRO   2          2HD       PRO   2 -25.143  -4.562  -4.562
   17    H    ASP   3           H        ASP   3 -27.468  -7.881  -7.881
   18    HA   ASP   3           HA       ASP   3 -25.379  -8.188  -8.188
   19   1HB   ASP   3          1HB       ASP   3 -26.891 -10.007 -10.007
   20   2HB   ASP   3          2HB       ASP   3 -28.218  -9.335  -9.335
   21    H    VAL   4           H        VAL   4 -28.701  -7.387  -7.387
   22    HA   VAL   4           HA       VAL   4 -27.629  -5.273  -5.273
   23    HB   VAL   4           HB       VAL   4 -27.224  -7.575  -7.575
   24   1HG1  VAL   4          3HG1      VAL   4 -29.455  -8.694  -8.694
   25   2HG1  VAL   4          1HG1      VAL   4 -30.149  -7.632  -7.632
   26   3HG1  VAL   4          2HG1      VAL   4 -28.849  -8.761  -8.761
   27   1HG2  VAL   4          2HG2      VAL   4 -26.983  -5.460  -5.460
   28   2HG2  VAL   4          3HG2      VAL   4 -27.574  -6.754  -6.754
   29   3HG2  VAL   4          1HG2      VAL   4 -28.703  -5.505  -5.505
   30    H    SER   5           H        SER   5 -30.597  -7.137  -7.137
   31    HA   SER   5           HA       SER   5 -32.869  -6.518  -6.518
   32   1HB   SER   5          1HB       SER   5 -32.078  -4.314  -4.314
   33   2HB   SER   5          2HB       SER   5 -33.730  -4.818  -4.818
   34    HG   SER   5           HG       SER   5 -32.894  -5.858  -5.858
   35    H    SER   6           H        SER   6 -31.803  -5.919  -5.919
   36    HA   SER   6           HA       SER   6 -31.767  -4.656  -4.656
   37   1HB   SER   6          1HB       SER   6 -34.254  -3.226  -3.226
   38   2HB   SER   6          2HB       SER   6 -33.612  -3.118  -3.118
   39    HG   SER   6           HG       SER   6 -35.203  -4.696  -4.696
   40    H    ALA   7           H        ALA   7 -29.684  -3.939  -3.939
   41    HA   ALA   7           HA       ALA   7 -29.531  -0.945  -0.945
   42   1HB   ALA   7          3HB       ALA   7 -28.253  -2.379  -2.379
   43   2HB   ALA   7          1HB       ALA   7 -27.308  -3.062  -3.062
   44   3HB   ALA   7          2HB       ALA   7 -27.170  -1.335  -1.335
   45    H    LEU   8           H        LEU   8 -27.775  -3.287  -3.287
   46    HA   LEU   8           HA       LEU   8 -27.212  -1.183  -1.183
   47   1HB   LEU   8          1HB       LEU   8 -25.715  -3.213  -3.213
   48   2HB   LEU   8          2HB       LEU   8 -26.818  -4.208  -4.208
   49    HG   LEU   8           HG       LEU   8 -24.714  -3.592  -3.592
   50   1HD1  LEU   8          2HD1      LEU   8 -26.718  -4.181  -4.181
   51   2HD1  LEU   8          3HD1      LEU   8 -27.017  -2.445  -2.445
   52   3HD1  LEU   8          1HD1      LEU   8 -25.509  -3.178  -3.178
   53   1HD2  LEU   8          3HD2      LEU   8 -24.401  -1.259  -1.259
   54   2HD2  LEU   8          1HD2      LEU   8 -24.174  -1.368  -1.368
   55   3HD2  LEU   8          2HD2      LEU   8 -25.675  -0.677  -0.677
   56    H    ASP   9           H        ASP   9 -29.675  -3.705  -3.705
   57    HA   ASP   9           HA       ASP   9 -30.827  -3.391  -3.391
   58   1HB   ASP   9          1HB       ASP   9 -31.256  -5.357  -5.357
   59   2HB   ASP   9          2HB       ASP   9 -32.272  -4.319  -4.319
   60    H    LYS  10           H        LYS  10 -31.766  -1.771  -1.771
   61    HA   LYS  10           HA       LYS  10 -33.741   0.026   0.026
   62   1HB   LYS  10          2HB       LYS  10 -33.733  -0.634  -0.634
   63   2HB   LYS  10          1HB       LYS  10 -32.309   0.367   0.367
   64   1HG   LYS  10          1HG       LYS  10 -33.671   2.393   2.393
   65   2HG   LYS  10          2HG       LYS  10 -35.087   1.361   1.361
   66   1HD   LYS  10          1HD       LYS  10 -33.497   1.881   1.881
   67   2HD   LYS  10          2HD       LYS  10 -34.970   2.716   2.716
   68   1HE   LYS  10          1HE       LYS  10 -36.256   0.515   0.515
   69   2HE   LYS  10          2HE       LYS  10 -34.785  -0.319  -0.319
   70   1HZ   LYS  10          3HZ       LYS  10 -36.113   1.892   1.892
   71   2HZ   LYS  10          1HZ       LYS  10 -36.166   0.287   0.287
   72   3HZ   LYS  10          2HZ       LYS  10 -34.738   1.113   1.113
   73    H    LEU  11           H        LEU  11 -30.465   0.793   0.793
   74    HA   LEU  11           HA       LEU  11 -30.228   3.173   3.173
   75   1HB   LEU  11          1HB       LEU  11 -28.518   2.317   2.317
   76   2HB   LEU  11          2HB       LEU  11 -28.168   3.700   3.700
   77    HG   LEU  11           HG       LEU  11 -30.811   3.423   3.423
   78   1HD1  LEU  11          3HD2      LEU  11 -28.904   3.412   3.412
   79   2HD1  LEU  11          1HD2      LEU  11 -28.260   4.909   4.909
   80   3HD1  LEU  11          2HD2      LEU  11 -29.831   4.919   4.919
   81   1HD2  LEU  11          2HD1      LEU  11 -30.938   5.077   5.077
   82   2HD2  LEU  11          3HD1      LEU  11 -31.005   5.900   5.900
   83   3HD2  LEU  11          1HD1      LEU  11 -29.497   5.920   5.920
   84    H    LYS  12           H        LYS  12 -30.088   1.546   1.546
   85    HA   LYS  12           HA       LYS  12 -27.663  -0.026  -0.026
   86   1HB   LYS  12          1HB       LYS  12 -28.369  -0.558  -0.558
   87   2HB   LYS  12          2HB       LYS  12 -29.625  -0.788  -0.788
   88   1HG   LYS  12          1HG       LYS  12 -30.722   1.399   1.399
   89   2HG   LYS  12          2HG       LYS  12 -29.494   1.534   1.534
   90   1HD   LYS  12          1HD       LYS  12 -30.241  -0.718  -0.718
   91   2HD   LYS  12          2HD       LYS  12 -31.452  -0.823  -0.823
   92   1HE   LYS  12          1HE       LYS  12 -32.608  -0.077  -0.077
   93   2HE   LYS  12          2HE       LYS  12 -32.561   1.303   1.303
   94   1HZ   LYS  12          1HZ       LYS  12 -30.738   0.878   0.878
   95   2HZ   LYS  12          2HZ       LYS  12 -32.005   1.936   1.936
   96   3HZ   LYS  12          3HZ       LYS  12 -30.679   2.180   2.180
   97    H    GLU  13           H        GLU  13 -28.453   2.999   2.999
   98    HA   GLU  13           HA       GLU  13 -25.638   3.227   3.227
   99   1HB   GLU  13          1HB       GLU  13 -26.238   5.300   5.300
  100   2HB   GLU  13          2HB       GLU  13 -27.366   4.020   4.020
  101   1HG   GLU  13          1HG       GLU  13 -29.050   5.027   5.027
  102   2HG   GLU  13          2HG       GLU  13 -27.919   6.335   6.335
  103    H    PHE  14           H        PHE  14 -27.425   4.847   4.847
  104    HA   PHE  14           HA       PHE  14 -25.120   6.503   6.503
  105   1HB   PHE  14          1HB       PHE  14 -27.453   7.115   7.115
  106   2HB   PHE  14          2HB       PHE  14 -27.617   5.694   5.694
  107    HD1  PHE  14           HD2      PHE  14 -25.889   9.007   9.007
  108    HD2  PHE  14           HD1      PHE  14 -26.561   5.626   5.626
  109    HE1  PHE  14           HE2      PHE  14 -24.925  10.245  10.245
  110    HE2  PHE  14           HE1      PHE  14 -25.602   6.881   6.881
  111    HZ   PHE  14           HZ       PHE  14 -24.777   9.187   9.187
  112    H    GLY  15           H        GLY  15 -26.270   3.270   3.270
  113   1HA   GLY  15          1HA       GLY  15 -24.212   2.747   2.747
  114   2HA   GLY  15          2HA       GLY  15 -25.049   1.489   1.489
  115    H    ASN  16           H        ASN  16 -24.213   1.959   1.959
  116    HA   ASN  16           HA       ASN  16 -21.460   0.959   0.959
  117   1HB   ASN  16          1HB       ASN  16 -23.485   2.099   2.099
  118   2HB   ASN  16          2HB       ASN  16 -21.857   1.887   1.887
  119   1HD2  ASN  16          1HD2      ASN  16 -22.060  -1.714  -1.714
  120   2HD2  ASN  16          2HD2      ASN  16 -20.949  -0.255  -0.255
  121    H    THR  17           H        THR  17 -22.647   4.340   4.340
  122    HA   THR  17           HA       THR  17 -20.139   5.527   5.527
  123    HB   THR  17           HB       THR  17 -22.384   6.856   6.856
  124    HG1  THR  17           HG1      THR  17 -21.786   6.751   6.751
  125   1HG2  THR  17          3HG2      THR  17 -20.164   8.173   8.173
  126   2HG2  THR  17          1HG2      THR  17 -21.574   9.005   9.005
  127   3HG2  THR  17          2HG2      THR  17 -20.336   8.315   8.315
  128    H    LEU  18           H        LEU  18 -21.369   5.445   5.445
  129    HA   LEU  18           HA       LEU  18 -18.596   5.982   5.982
  130   1HB   LEU  18          1HB       LEU  18 -19.316   6.344   6.344
  131   2HB   LEU  18          2HB       LEU  18 -20.573   7.035   7.035
  132    HG   LEU  18           HG       LEU  18 -20.731   4.310   4.310
  133   1HD1  LEU  18          2HD1      LEU  18 -20.619   6.240   6.240
  134   2HD1  LEU  18          3HD1      LEU  18 -21.995   7.023   7.023
  135   3HD1  LEU  18          1HD1      LEU  18 -22.220   5.478   5.478
  136   1HD2  LEU  18          3HD2      LEU  18 -22.984   5.868   5.868
  137   2HD2  LEU  18          1HD2      LEU  18 -22.292   4.298   4.298
  138   3HD2  LEU  18          2HD2      LEU  18 -23.220   4.422   4.422
  139    H    GLU  19           H        GLU  19 -19.574   3.292   3.292
  140    HA   GLU  19           HA       GLU  19 -18.026   1.432   1.432
  141   1HB   GLU  19          1HB       GLU  19 -20.001   0.465   0.465
  142   2HB   GLU  19          2HB       GLU  19 -19.304   0.832   0.832
  143   1HG   GLU  19          1HG       GLU  19 -19.007  -1.529  -1.529
  144   2HG   GLU  19          2HG       GLU  19 -17.418  -0.790  -0.790
  145    H    ASP  20           H        ASP  20 -17.732   2.634   2.634
  146    HA   ASP  20           HA       ASP  20 -14.899   1.994   1.994
  147   1HB   ASP  20          1HB       ASP  20 -14.823   3.244   3.244
  148   2HB   ASP  20          2HB       ASP  20 -16.278   2.289   2.289
  149    H    LYS  21           H        LYS  21 -16.346   5.186   5.186
  150    HA   LYS  21           HA       LYS  21 -13.956   6.555   6.555
  151   1HB   LYS  21          1HB       LYS  21 -16.422   7.437   7.437
  152   2HB   LYS  21          2HB       LYS  21 -16.523   6.900   6.900
  153   1HG   LYS  21          1HG       LYS  21 -16.043   9.248   9.248
  154   2HG   LYS  21          2HG       LYS  21 -14.595   8.429   8.429
  155   1HD   LYS  21          1HD       LYS  21 -13.806  10.137  10.137
  156   2HD   LYS  21          2HD       LYS  21 -13.633   8.688   8.688
  157   1HE   LYS  21          1HE       LYS  21 -15.800   9.270   9.270
  158   2HE   LYS  21          2HE       LYS  21 -15.952  10.728  10.728
  159   1HZ   LYS  21          2HZ       LYS  21 -13.829  11.504  11.504
  160   2HZ   LYS  21          3HZ       LYS  21 -13.688  10.141  10.141
  161   3HZ   LYS  21          1HZ       LYS  21 -14.918  11.207  11.207
  162    H    ALA  22           H        ALA  22 -15.754   4.669   4.669
  163    HA   ALA  22           HA       ALA  22 -13.840   5.015   5.015
  164   1HB   ALA  22          2HB       ALA  22 -16.123   4.137   4.137
  165   2HB   ALA  22          3HB       ALA  22 -15.733   2.636   2.636
  166   3HB   ALA  22          1HB       ALA  22 -14.915   3.013   3.013
  167    H    ARG  23           H        ARG  23 -13.995   2.278   2.278
  168    HA   ARG  23           HA       ARG  23 -11.577   0.878   0.878
  169   1HB   ARG  23          1HB       ARG  23 -12.933   1.186   1.186
  170   2HB   ARG  23          2HB       ARG  23 -11.580   0.106   0.106
  171   1HG   ARG  23          1HG       ARG  23 -12.827  -1.299  -1.299
  172   2HG   ARG  23          2HG       ARG  23 -14.149  -0.150  -0.150
  173   1HD   ARG  23          1HD       ARG  23 -14.895  -1.950  -1.950
  174   2HD   ARG  23          2HD       ARG  23 -14.723  -0.518  -0.518
  175    HE   ARG  23           HE       ARG  23 -12.255  -2.142  -2.142
  176   1HH1  ARG  23          1HH1      ARG  23 -15.607  -2.127  -2.127
  177   2HH1  ARG  23          2HH1      ARG  23 -15.113  -3.142  -3.142
  178   1HH2  ARG  23          1HH2      ARG  23 -11.807  -3.294  -3.294
  179   2HH2  ARG  23          2HH2      ARG  23 -13.104  -3.757  -3.757
  180    H    GLU  24           H        GLU  24 -11.855   3.623   3.623
  181    HA   GLU  24           HA       GLU  24  -8.976   3.800   3.800
  182   1HB   GLU  24          1HB       GLU  24 -10.808   4.780   4.780
  183   2HB   GLU  24          2HB       GLU  24 -11.152   5.973   5.973
  184   1HG   GLU  24          1HG       GLU  24  -9.836   6.985   6.985
  185   2HG   GLU  24          2HG       GLU  24  -8.887   7.002   7.002
  186    H    LEU  25           H        LEU  25 -10.929   5.279   5.279
  187    HA   LEU  25           HA       LEU  25  -8.759   6.938   6.938
  188   1HB   LEU  25          2HB       LEU  25 -11.184   5.770   5.770
  189   2HB   LEU  25          1HB       LEU  25 -10.072   6.928   6.928
  190    HG   LEU  25           HG       LEU  25 -11.824   7.499   7.499
  191   1HD1  LEU  25          2HD1      LEU  25 -13.198   7.169   7.169
  192   2HD1  LEU  25          3HD1      LEU  25 -12.231   8.390   8.390
  193   3HD1  LEU  25          1HD1      LEU  25 -13.235   8.861   8.861
  194   1HD2  LEU  25          2HD2      LEU  25 -10.114   9.461   9.461
  195   2HD2  LEU  25          3HD2      LEU  25  -9.809   8.955   8.955
  196   3HD2  LEU  25          1HD2      LEU  25 -11.253   9.903   9.903
  197    H    ILE  26           H        ILE  26  -9.629   3.503   3.503
  198    HA   ILE  26           HA       ILE  26  -7.491   3.052   3.052
  199    HB   ILE  26           HB       ILE  26  -8.568   0.840   0.840
  200   1HG1  ILE  26          1HG1      ILE  26 -10.635   1.657   1.657
  201   2HG1  ILE  26          2HG1      ILE  26 -10.301   0.202   0.202
  202   1HG2  ILE  26          1HG2      ILE  26  -6.639   0.185   0.185
  203   2HG2  ILE  26          2HG2      ILE  26  -7.468   0.715   0.715
  204   3HG2  ILE  26          3HG2      ILE  26  -8.086  -0.668  -0.668
  205   1HD1  ILE  26          2HD1      ILE  26  -9.692   1.580   1.580
  206   2HD1  ILE  26          3HD1      ILE  26 -10.067   3.068   3.068
  207   3HD1  ILE  26          1HD1      ILE  26 -11.348   1.884   1.884
  208    H    SER  27           H        SER  27  -7.583   2.389   2.389
  209    HA   SER  27           HA       SER  27  -4.598   2.053   2.053
  210   1HB   SER  27          1HB       SER  27  -4.895   1.562   1.562
  211   2HB   SER  27          2HB       SER  27  -6.003   0.606   0.606
  212    HG   SER  27           HG       SER  27  -7.628   2.159   2.159
  213    H    ARG  28           H        ARG  28  -4.662   4.258   4.258
  214    HA   ARG  28           HA       ARG  28  -3.145   5.997   5.997
  215   1HB   ARG  28          1HB       ARG  28  -4.187   8.014   8.014
  216   2HB   ARG  28          2HB       ARG  28  -5.270   6.809   6.809
  217   1HG   ARG  28          1HG       ARG  28  -6.865   8.102   8.102
  218   2HG   ARG  28          2HG       ARG  28  -6.520   7.188   7.188
  219   1HD   ARG  28          1HD       ARG  28  -4.884   9.038   9.038
  220   2HD   ARG  28          2HD       ARG  28  -5.302   9.933   9.933
  221    HE   ARG  28           HE       ARG  28  -7.804   9.399   9.399
  222   1HH1  ARG  28          1HH1      ARG  28  -4.839  11.257  11.257
  223   2HH1  ARG  28          2HH1      ARG  28  -5.785  12.433  12.433
  224   1HH2  ARG  28          1HH2      ARG  28  -8.779  10.804  10.804
  225   2HH2  ARG  28          2HH2      ARG  28  -7.861  12.192  12.192
  226    H    ILE  29           H        ILE  29  -5.183   6.014   6.014
  227    HA   ILE  29           HA       ILE  29  -3.249   7.149   7.149
  228    HB   ILE  29           HB       ILE  29  -5.609   5.269   5.269
  229   1HG1  ILE  29          1HG1      ILE  29  -6.324   6.858   6.858
  230   2HG1  ILE  29          2HG1      ILE  29  -4.782   7.706   7.706
  231   1HG2  ILE  29          3HG2      ILE  29  -3.679   5.391   5.391
  232   2HG2  ILE  29          1HG2      ILE  29  -5.367   4.807   4.807
  233   3HG2  ILE  29          2HG2      ILE  29  -4.176   3.947   3.947
  234   1HD1  ILE  29          3HD1      ILE  29  -6.892   7.585   7.585
  235   2HD1  ILE  29          1HD1      ILE  29  -6.631   8.938   8.938
  236   3HD1  ILE  29          2HD1      ILE  29  -5.366   8.505   8.505
  237    H    LYS  30           H        LYS  30  -3.513   3.608   3.608
  238    HA   LYS  30           HA       LYS  30  -0.885   3.085   3.085
  239   1HB   LYS  30          1HB       LYS  30  -1.202   0.790   0.790
  240   2HB   LYS  30          2HB       LYS  30  -2.736   1.457   1.457
  241   1HG   LYS  30          1HG       LYS  30  -3.155   1.729   1.729
  242   2HG   LYS  30          2HG       LYS  30  -1.815   0.603   0.603
  243   1HD   LYS  30          1HD       LYS  30  -3.076  -1.015  -1.015
  244   2HD   LYS  30          2HD       LYS  30  -4.385   0.154   0.154
  245   1HE   LYS  30          1HE       LYS  30  -5.056  -1.551  -1.551
  246   2HE   LYS  30          2HE       LYS  30  -4.792  -0.069  -0.069
  247   1HZ   LYS  30          3HZ       LYS  30  -2.864  -2.339  -2.339
  248   2HZ   LYS  30          1HZ       LYS  30  -3.815  -1.982  -1.982
  249   3HZ   LYS  30          2HZ       LYS  30  -2.600  -0.953  -0.953
  250    H    GLN  31           H        GLN  31  -1.095   4.707   4.707
  251    HA   GLN  31           HA       GLN  31   1.508   3.718   3.718
  252   1HB   GLN  31          1HB       GLN  31  -0.808   4.830   4.830
  253   2HB   GLN  31          2HB       GLN  31   0.815   4.635   4.635
  254   1HG   GLN  31          1HG       GLN  31   0.748   2.167   2.167
  255   2HG   GLN  31          2HG       GLN  31  -0.860   2.284   2.284
  256   1HE2  GLN  31          2HE2      GLN  31  -2.444   2.434   2.434
  257   2HE2  GLN  31          1HE2      GLN  31  -2.632   2.546   2.546
  258    H    SER  32           H        SER  32  -0.177   6.366   6.366
  259    HA   SER  32           HA       SER  32   2.222   8.192   8.192
  260   1HB   SER  32          1HB       SER  32   0.663   8.747   8.747
  261   2HB   SER  32          2HB       SER  32  -0.626   9.136   9.136
  262    HG   SER  32           HG       SER  32   0.792  10.700  10.700
  263    H    GLU  33           H        GLU  33   2.632   9.183   9.183
  264    HA   GLU  33           HA       GLU  33   2.693   9.744   9.744
  265   1HB   GLU  33          1HB       GLU  33   1.132  11.027  11.027
  266   2HB   GLU  33          2HB       GLU  33   1.181  11.509  11.509
  267   1HG   GLU  33          1HG       GLU  33  -1.079  11.692  11.692
  268   2HG   GLU  33          2HG       GLU  33  -1.046  10.512  10.512
  269    H    LEU  34           H        LEU  34   1.030   6.967   6.967
  270    HA   LEU  34           HA       LEU  34   1.971   5.972   5.972
  271   1HB   LEU  34          1HB       LEU  34  -0.126   4.920   4.920
  272   2HB   LEU  34          2HB       LEU  34   0.620   4.485   4.485
  273    HG   LEU  34           HG       LEU  34   0.229   2.655   2.655
  274   1HD1  LEU  34          2HD1      LEU  34   1.739   2.322   2.322
  275   2HD1  LEU  34          3HD1      LEU  34   3.144   2.770   2.770
  276   3HD1  LEU  34          1HD1      LEU  34   2.191   1.327   1.327
  277   1HD2  LEU  34          3HD2      LEU  34   1.025   3.789   3.789
  278   2HD2  LEU  34          1HD2      LEU  34   1.819   2.219   2.219
  279   3HD2  LEU  34          2HD2      LEU  34   2.702   3.724   3.724
  280    H    SER  35           H        SER  35   2.446   5.938   5.938
  281    HA   SER  35           HA       SER  35   5.409   5.227   5.227
  282   1HB   SER  35          1HB       SER  35   3.610   4.684   4.684
  283   2HB   SER  35          2HB       SER  35   5.384   4.512   4.512
  284    HG   SER  35           HG       SER  35   5.133   3.016   3.016
  285    H    ALA  36           H        ALA  36   5.527   7.308   7.308
  286    HA   ALA  36           HA       ALA  36   6.837   8.550   8.550
  287   1HB   ALA  36          2HB       ALA  36   5.364  10.389  10.389
  288   2HB   ALA  36          3HB       ALA  36   6.077  10.276  10.276
  289   3HB   ALA  36          1HB       ALA  36   7.081  10.773  10.773
  290    H    LYS  37           H        LYS  37   6.942   7.198   7.198
  291    HA   LYS  37           HA       LYS  37   9.886   7.560   7.560
  292   1HB   LYS  37          1HB       LYS  37   7.777   5.715   5.715
  293   2HB   LYS  37          2HB       LYS  37   9.475   5.616   5.616
  294   1HG   LYS  37          1HG       LYS  37   8.498   6.855   6.855
  295   2HG   LYS  37          2HG       LYS  37   9.560   7.920   7.920
  296   1HD   LYS  37          1HD       LYS  37   7.569   9.117   9.117
  297   2HD   LYS  37          2HD       LYS  37   7.627   9.092   9.092
  298   1HE   LYS  37          1HE       LYS  37   5.898   7.196   7.196
  299   2HE   LYS  37          2HE       LYS  37   5.853   7.247   7.247
  300   1HZ   LYS  37          3HZ       LYS  37   5.136   9.508   9.508
  301   2HZ   LYS  37          1HZ       LYS  37   4.071   8.553   8.553
  302   3HZ   LYS  37          2HZ       LYS  37   5.086   9.563   9.563
  303    H    MET  38           H        MET  38   7.871   5.310   5.310
  304    HA   MET  38           HA       MET  38  10.108   3.313   3.313
  305   1HB   MET  38          1HB       MET  38   7.227   3.388   3.388
  306   2HB   MET  38          2HB       MET  38   8.299   2.038   2.038
  307   1HG   MET  38          1HG       MET  38   7.075   3.023   3.023
  308   2HG   MET  38          2HG       MET  38   6.600   1.605   1.605
  309   1HE   MET  38          2HE       MET  38   8.272   2.789   2.789
  310   2HE   MET  38          1HE       MET  38   9.599   1.658   1.658
  311   3HE   MET  38          3HE       MET  38   9.894   3.023   3.023
  312    H    ARG  39           H        ARG  39   9.098   6.099   6.099
  313    HA   ARG  39           HA       ARG  39  10.731   5.101   5.101
  314   1HB   ARG  39          1HB       ARG  39   9.126   5.980   5.980
  315   2HB   ARG  39          2HB       ARG  39   8.522   4.623   4.623
  316   1HG   ARG  39          1HG       ARG  39   7.111   6.147   6.147
  317   2HG   ARG  39          2HG       ARG  39   7.735   7.554   7.554
  318   1HD   ARG  39          1HD       ARG  39   6.774   6.666   6.666
  319   2HD   ARG  39          2HD       ARG  39   6.147   5.268   5.268
  320    HE   ARG  39           HE       ARG  39   4.528   6.680   6.680
  321   1HH1  ARG  39          1HH1      ARG  39   6.484   8.635   8.635
  322   2HH1  ARG  39          2HH1      ARG  39   5.337  10.051  10.051
  323   1HH2  ARG  39          1HH2      ARG  39   3.268   8.340   8.340
  324   2HH2  ARG  39          2HH2      ARG  39   3.647   9.893   9.893
  325    H    GLU  40           H        GLU  40   9.219   8.098   8.098
  326    HA   GLU  40           HA       GLU  40  11.128   9.874   9.874
  327   1HB   GLU  40          1HB       GLU  40   9.187  10.433  10.433
  328   2HB   GLU  40          2HB       GLU  40  10.177  11.678  11.678
  329   1HG   GLU  40          1HG       GLU  40   9.118  11.413  11.413
  330   2HG   GLU  40          2HG       GLU  40   8.272   9.956   9.956
  331    H    TRP  41           H        TRP  41  10.962   8.758   8.758
  332    HA   TRP  41           HA       TRP  41  13.567   9.833   9.833
  333   1HB   TRP  41          1HB       TRP  41  11.810   9.201   9.201
  334   2HB   TRP  41          2HB       TRP  41  11.821   7.548   7.548
  335    HD1  TRP  41           HD1      TRP  41  13.676   9.930   9.930
  336    HE1  TRP  41           HE1      TRP  41  15.394   8.631   8.631
  337    HE3  TRP  41           HE3      TRP  41  13.451   5.502   5.502
  338    HZ2  TRP  41           HZ2      TRP  41  16.424   5.961   5.961
  339    HZ3  TRP  41           HZ3      TRP  41  14.889   3.619   3.619
  340    HH2  TRP  41           HH2      TRP  41  16.327   3.844   3.844
  341    H    PHE  42           H        PHE  42  12.714   6.648   6.648
  342    HA   PHE  42           HA       PHE  42  15.450   5.544   5.544
  343   1HB   PHE  42          1HB       PHE  42  13.073   4.812   4.812
  344   2HB   PHE  42          2HB       PHE  42  14.632   4.237   4.237
  345    HD1  PHE  42           HD1      PHE  42  12.306   4.231   4.231
  346    HD2  PHE  42           HD2      PHE  42  15.543   2.256   2.256
  347    HE1  PHE  42           HE1      PHE  42  12.159   2.357   2.357
  348    HE2  PHE  42           HE2      PHE  42  15.387   0.389   0.389
  349    HZ   PHE  42           HZ       PHE  42  13.718   0.458   0.458
  350    H    SER  43           H        SER  43  14.000   7.729   7.729
  351    HA   SER  43           HA       SER  43  16.232   7.707   7.707
  352   1HB   SER  43          1HB       SER  43  13.884   8.303   8.303
  353   2HB   SER  43          2HB       SER  43  13.964   9.763   9.763
  354    HG   SER  43           HG       SER  43  15.763  10.405  10.405
  355    H    GLU  44           H        GLU  44  15.304   9.967   9.967
  356    HA   GLU  44           HA       GLU  44  17.685  11.702  11.702
  357   1HB   GLU  44          1HB       GLU  44  15.513  12.435  12.435
  358   2HB   GLU  44          2HB       GLU  44  15.732  11.311  11.311
  359   1HG   GLU  44          1HG       GLU  44  16.277  13.533  13.533
  360   2HG   GLU  44          2HG       GLU  44  17.749  12.582  12.582
  361    H    THR  45           H        THR  45  16.922   9.051   9.051
  362    HA   THR  45           HA       THR  45  19.694   9.002   9.002
  363    HB   THR  45           HB       THR  45  17.255   7.245   7.245
  364    HG1  THR  45           HG1      THR  45  16.889   8.643   8.643
  365   1HG2  THR  45          1HG2      THR  45  19.723   7.697   7.697
  366   2HG2  THR  45          2HG2      THR  45  18.180   7.046   7.046
  367   3HG2  THR  45          3HG2      THR  45  19.076   6.145   6.145
  368    H    PHE  46           H        PHE  46  19.210   8.147   8.147
  369    HA   PHE  46           HA       PHE  46  19.278   5.371   5.371
  370   1HB   PHE  46          1HB       PHE  46  18.853   7.184   7.184
  371   2HB   PHE  46          2HB       PHE  46  20.571   7.324   7.324
  372    HD1  PHE  46           HD2      PHE  46  18.051   4.423   4.423
  373    HD2  PHE  46           HD1      PHE  46  21.217   6.271   6.271
  374    HE1  PHE  46           HE2      PHE  46  17.860   2.677   2.677
  375    HE2  PHE  46           HE1      PHE  46  20.995   4.520   4.520
  376    HZ   PHE  46           HZ       PHE  46  19.326   2.718   2.718
  377    H    GLN  47           H        GLN  47  22.252   7.276   7.276
  378    HA   GLN  47           HA       GLN  47  24.075   4.968   4.968
  379   1HB   GLN  47          1HB       GLN  47  24.714   7.522   7.522
  380   2HB   GLN  47          2HB       GLN  47  25.873   6.348   6.348
  381   1HG   GLN  47          1HG       GLN  47  24.188   8.265   8.265
  382   2HG   GLN  47          2HG       GLN  47  25.901   8.373   8.373
  383   1HE2  GLN  47          2HE2      GLN  47  26.737   5.902   5.902
  384   2HE2  GLN  47          1HE2      GLN  47  27.306   6.713   6.713
  385    H    LYS  48           H        LYS  48  22.364   6.026   6.026
  386    HA   LYS  48           HA       LYS  48  23.815   4.010   4.010
  387   1HB   LYS  48          1HB       LYS  48  23.258   6.070   6.070
  388   2HB   LYS  48          2HB       LYS  48  21.578   6.019   6.019
  389   1HG   LYS  48          1HG       LYS  48  22.680   3.749   3.749
  390   2HG   LYS  48          2HG       LYS  48  22.452   5.347   5.347
  391   1HD   LYS  48          1HD       LYS  48  20.095   5.433   5.433
  392   2HD   LYS  48          2HD       LYS  48  20.219   3.893   3.893
  393   1HE   LYS  48          1HE       LYS  48  20.641   2.707   2.707
  394   2HE   LYS  48          2HE       LYS  48  20.679   4.254   4.254
  395   1HZ   LYS  48          3HZ       LYS  48  18.356   4.613   4.613
  396   2HZ   LYS  48          1HZ       LYS  48  18.310   3.168   3.168
  397   3HZ   LYS  48          2HZ       LYS  48  18.520   3.199   3.199
  398    H    VAL  49           H        VAL  49  20.890   4.045   4.045
  399    HA   VAL  49           HA       VAL  49  19.962   1.331   1.331
  400    HB   VAL  49           HB       VAL  49  19.851   2.412   2.412
  401   1HG1  VAL  49          3HG1      VAL  49  19.212   0.024   0.024
  402   2HG1  VAL  49          1HG1      VAL  49  18.002   0.400   0.400
  403   3HG1  VAL  49          2HG1      VAL  49  17.796   0.994   0.994
  404   1HG2  VAL  49          2HG2      VAL  49  18.722   4.163   4.163
  405   2HG2  VAL  49          3HG2      VAL  49  17.573   3.373   3.373
  406   3HG2  VAL  49          1HG2      VAL  49  17.648   2.912   2.912
  407    H    LYS  50           H        LYS  50  22.391   2.531   2.531
  408    HA   LYS  50           HA       LYS  50  23.055  -0.058  -0.058
  409   1HB   LYS  50          1HB       LYS  50  24.824   2.459   2.459
  410   2HB   LYS  50          2HB       LYS  50  25.269   0.982   0.982
  411   1HG   LYS  50          1HG       LYS  50  23.250   1.133   1.133
  412   2HG   LYS  50          2HG       LYS  50  22.731   2.584   2.584
  413   1HD   LYS  50          1HD       LYS  50  25.013   3.668   3.668
  414   2HD   LYS  50          2HD       LYS  50  25.321   2.231   2.231
  415   1HE   LYS  50          1HE       LYS  50  23.098   2.744   2.744
  416   2HE   LYS  50          2HE       LYS  50  22.997   4.242   4.242
  417   1HZ   LYS  50          2HZ       LYS  50  25.136   4.922   4.922
  418   2HZ   LYS  50          3HZ       LYS  50  25.238   3.522   3.522
  419   3HZ   LYS  50          1HZ       LYS  50  24.037   4.610   4.610
  420    H    GLU  51           H        GLU  51  24.739   1.834   1.834
  421    HA   GLU  51           HA       GLU  51  26.719  -0.124  -0.124
  422   1HB   GLU  51          1HB       GLU  51  25.200   2.051   2.051
  423   2HB   GLU  51          2HB       GLU  51  26.513   1.116   1.116
  424   1HG   GLU  51          1HG       GLU  51  28.163   2.002   2.002
  425   2HG   GLU  51          2HG       GLU  51  26.930   2.832   2.832
  426    H    LYS  52           H        LYS  52  23.266  -0.046  -0.046
  427    HA   LYS  52           HA       LYS  52  23.421  -2.241  -2.241
  428   1HB   LYS  52          1HB       LYS  52  21.069  -0.490  -0.490
  429   2HB   LYS  52          2HB       LYS  52  20.879  -1.809  -1.809
  430   1HG   LYS  52          1HG       LYS  52  22.668   0.634   0.634
  431   2HG   LYS  52          2HG       LYS  52  20.982   0.492   0.492
  432   1HD   LYS  52          1HD       LYS  52  21.524  -1.557  -1.557
  433   2HD   LYS  52          2HD       LYS  52  23.231  -1.382  -1.382
  434   1HE   LYS  52          1HE       LYS  52  23.257   0.933   0.933
  435   2HE   LYS  52          2HE       LYS  52  21.552   0.747   0.747
  436   1HZ   LYS  52          2HZ       LYS  52  22.167  -1.188  -1.188
  437   2HZ   LYS  52          3HZ       LYS  52  23.759  -1.015  -1.015
  438   3HZ   LYS  52          1HZ       LYS  52  23.002   0.153   0.153
  439    H    LEU  53           H        LEU  53  23.379  -2.293  -2.293
  440    HA   LEU  53           HA       LEU  53  22.297  -3.524  -3.524
  441   1HB   LEU  53          1HB       LEU  53  22.812  -5.692  -5.692
  442   2HB   LEU  53          2HB       LEU  53  22.686  -5.810  -5.810
  443    HG   LEU  53           HG       LEU  53  24.927  -4.249  -4.249
  444   1HD1  LEU  53          1HD1      LEU  53  25.077  -6.663  -6.663
  445   2HD1  LEU  53          2HD1      LEU  53  25.014  -7.115  -7.115
  446   3HD1  LEU  53          3HD1      LEU  53  26.399  -6.191  -6.191
  447   1HD2  LEU  53          3HD2      LEU  53  24.519  -3.493  -3.493
  448   2HD2  LEU  53          1HD2      LEU  53  26.073  -4.328  -4.328
  449   3HD2  LEU  53          2HD2      LEU  53  24.677  -5.168  -5.168
  450    H    LYS  54           H        LYS  54  20.252  -2.261  -2.261
  451    HA   LYS  54           HA       LYS  54  17.949  -2.181  -2.181
  452   1HB   LYS  54          1HB       LYS  54  17.735  -5.224  -5.224
  453   2HB   LYS  54          2HB       LYS  54  16.396  -4.102  -4.102
  454   1HG   LYS  54          1HG       LYS  54  17.371  -3.230  -3.230
  455   2HG   LYS  54          2HG       LYS  54  18.612  -4.471  -4.471
  456   1HD   LYS  54          1HD       LYS  54  15.565  -5.033  -5.033
  457   2HD   LYS  54          2HD       LYS  54  16.628  -4.947  -4.947
  458   1HE   LYS  54          1HE       LYS  54  16.428  -7.256  -7.256
  459   2HE   LYS  54          2HE       LYS  54  18.024  -6.895  -6.895
  460   1HZ   LYS  54          2HZ       LYS  54  15.535  -7.262  -7.262
  461   2HZ   LYS  54          3HZ       LYS  54  16.764  -8.356  -8.356
  462   3HZ   LYS  54          1HZ       LYS  54  17.022  -6.926  -6.926
  463    H    ILE  55           H        ILE  55  17.866  -1.017  -1.017
  464    HA   ILE  55           HA       ILE  55  18.217  -2.131  -2.131
  465    HB   ILE  55           HB       ILE  55  18.797   0.129   0.129
  466   1HG1  ILE  55          1HG1      ILE  55  18.666  -0.538  -0.538
  467   2HG1  ILE  55          2HG1      ILE  55  18.629   1.156   1.156
  468   1HG2  ILE  55          2HG2      ILE  55  16.887   0.899   0.899
  469   2HG2  ILE  55          3HG2      ILE  55  15.854   0.986   0.986
  470   3HG2  ILE  55          1HG2      ILE  55  17.276   2.046   2.046
  471   1HD1  ILE  55          1HD1      ILE  55  16.168   1.291   1.291
  472   2HD1  ILE  55          2HD1      ILE  55  16.152  -0.452  -0.452
  473   3HD1  ILE  55          3HD1      ILE  55  17.114   0.665   0.665
  474    H    ASP  56           H        ASP  56  15.114  -1.202  -1.202
  475    HA   ASP  56           HA       ASP  56  13.760  -3.335  -3.335
  476   1HB   ASP  56          1HB       ASP  56  11.886  -1.981  -1.981
  477   2HB   ASP  56          2HB       ASP  56  13.418  -1.671  -1.671
  478    H    SER  57           H        SER  57  11.939  -0.869  -0.869
  479    HA   SER  57           HA       SER  57  11.846  -2.625  -2.625
  480   1HB   SER  57          1HB       SER  57   9.373  -2.764  -2.764
  481   2HB   SER  57          2HB       SER  57  10.029  -3.617  -3.617
  482    HG   SER  57           HG       SER  57   9.534  -1.771  -1.771

  Start of MODEL   18
    1   1H    THR   1          1H        THR   1 -41.067  -1.062  -1.062
    2   2H    THR   1          2H        THR   1 -41.804   0.170   0.170
    3   3H    THR   1          3H        THR   1 -42.425  -0.357  -0.357
    4    HA   THR   1           HA       THR   1 -42.906  -2.461  -2.461
    5    HB   THR   1           HB       THR   1 -44.651  -0.762  -0.762
    6    HG1  THR   1           HG1      THR   1 -45.028  -2.878  -2.878
    7   1HG2  THR   1          3HG2      THR   1 -43.906   0.897   0.897
    8   2HG2  THR   1          1HG2      THR   1 -44.186  -0.313  -0.313
    9   3HG2  THR   1          2HG2      THR   1 -45.549   0.299   0.299
   10    HA   PRO   2           HA       PRO   2 -41.585  -2.985  -2.985
   11   1HB   PRO   2          1HB       PRO   2 -38.885  -1.560  -1.560
   12   2HB   PRO   2          2HB       PRO   2 -40.144  -1.493  -1.493
   13   1HG   PRO   2          1HG       PRO   2 -39.514   0.597   0.597
   14   2HG   PRO   2          2HG       PRO   2 -41.123   0.425   0.425
   15   1HD   PRO   2          1HD       PRO   2 -40.230  -0.228  -0.228
   16   2HD   PRO   2          2HD       PRO   2 -41.817   0.298   0.298
   17    H    ASP   3           H        ASP   3 -40.394  -4.742  -4.742
   18    HA   ASP   3           HA       ASP   3 -39.175  -6.240  -6.240
   19   1HB   ASP   3          1HB       ASP   3 -40.795  -7.217  -7.217
   20   2HB   ASP   3          2HB       ASP   3 -39.594  -7.072  -7.072
   21    H    VAL   4           H        VAL   4 -37.200  -6.419  -6.419
   22    HA   VAL   4           HA       VAL   4 -35.051  -5.076  -5.076
   23    HB   VAL   4           HB       VAL   4 -35.287  -4.760  -4.760
   24   1HG1  VAL   4          2HG1      VAL   4 -35.893  -7.068  -7.068
   25   2HG1  VAL   4          3HG1      VAL   4 -34.240  -7.628  -7.628
   26   3HG1  VAL   4          1HG1      VAL   4 -34.528  -6.399  -6.399
   27   1HG2  VAL   4          2HG2      VAL   4 -33.062  -4.324  -4.324
   28   2HG2  VAL   4          3HG2      VAL   4 -33.013  -4.584  -4.584
   29   3HG2  VAL   4          1HG2      VAL   4 -32.489  -5.873  -5.873
   30    H    SER   5           H        SER   5 -32.866  -6.187  -6.187
   31    HA   SER   5           HA       SER   5 -31.521  -7.224  -7.224
   32   1HB   SER   5          1HB       SER   5 -32.092  -9.370  -9.370
   33   2HB   SER   5          2HB       SER   5 -33.247  -9.761  -9.761
   34    HG   SER   5           HG       SER   5 -31.501  -9.611  -9.611
   35    H    SER   6           H        SER   6 -34.325  -6.284  -6.284
   36    HA   SER   6           HA       SER   6 -33.316  -5.447  -5.447
   37   1HB   SER   6          1HB       SER   6 -34.795  -6.570  -6.570
   38   2HB   SER   6          2HB       SER   6 -33.812  -7.768  -7.768
   39    HG   SER   6           HG       SER   6 -35.959  -8.383  -8.383
   40    H    ALA   7           H        ALA   7 -34.174  -3.911  -3.911
   41    HA   ALA   7           HA       ALA   7 -35.895  -2.121  -2.121
   42   1HB   ALA   7          2HB       ALA   7 -37.912  -3.439  -3.439
   43   2HB   ALA   7          3HB       ALA   7 -37.463  -3.171  -3.171
   44   3HB   ALA   7          1HB       ALA   7 -37.898  -1.797  -1.797
   45    H    LEU   8           H        LEU   8 -35.526  -2.757  -2.757
   46    HA   LEU   8           HA       LEU   8 -34.034  -0.227  -0.227
   47   1HB   LEU   8          1HB       LEU   8 -34.928  -2.669  -2.669
   48   2HB   LEU   8          2HB       LEU   8 -33.605  -1.765  -1.765
   49    HG   LEU   8           HG       LEU   8 -35.608  -1.095  -1.095
   50   1HD1  LEU   8          1HD1      LEU   8 -33.851   0.677   0.677
   51   2HD1  LEU   8          2HD1      LEU   8 -34.725   1.287   1.287
   52   3HD1  LEU   8          3HD1      LEU   8 -35.485   1.351   1.351
   53   1HD2  LEU   8          3HD2      LEU   8 -37.306  -1.580  -1.580
   54   2HD2  LEU   8          1HD2      LEU   8 -37.544   0.022   0.022
   55   3HD2  LEU   8          2HD2      LEU   8 -36.818  -0.119  -0.119
   56    H    ASP   9           H        ASP   9 -33.044  -3.085  -3.085
   57    HA   ASP   9           HA       ASP   9 -30.311  -3.408  -3.408
   58   1HB   ASP   9          1HB       ASP   9 -31.665  -4.943  -4.943
   59   2HB   ASP   9          2HB       ASP   9 -31.393  -3.829  -3.829
   60    H    LYS  10           H        LYS  10 -31.538  -1.263  -1.263
   61    HA   LYS  10           HA       LYS  10 -28.953   0.019   0.019
   62   1HB   LYS  10          1HB       LYS  10 -31.851   0.936   0.936
   63   2HB   LYS  10          2HB       LYS  10 -30.464   1.892   1.892
   64   1HG   LYS  10          1HG       LYS  10 -31.133   0.785   0.785
   65   2HG   LYS  10          2HG       LYS  10 -29.580   0.138   0.138
   66   1HD   LYS  10          1HD       LYS  10 -30.974  -1.626  -1.626
   67   2HD   LYS  10          2HD       LYS  10 -30.635  -1.982  -1.982
   68   1HE   LYS  10          1HE       LYS  10 -32.962  -1.161  -1.161
   69   2HE   LYS  10          2HE       LYS  10 -33.285  -0.745  -0.745
   70   1HZ   LYS  10          3HZ       LYS  10 -32.993  -3.103  -3.103
   71   2HZ   LYS  10          1HZ       LYS  10 -32.688  -3.486  -3.486
   72   3HZ   LYS  10          2HZ       LYS  10 -34.175  -2.917  -2.917
   73    H    LEU  11           H        LEU  11 -31.565   0.957   0.957
   74    HA   LEU  11           HA       LEU  11 -30.330   3.480   3.480
   75   1HB   LEU  11          1HB       LEU  11 -32.394   1.701   1.701
   76   2HB   LEU  11          2HB       LEU  11 -31.827   3.207   3.207
   77    HG   LEU  11           HG       LEU  11 -33.954   3.560   3.560
   78   1HD1  LEU  11          2HD1      LEU  11 -32.347   5.472   5.472
   79   2HD1  LEU  11          3HD1      LEU  11 -31.968   4.987   4.987
   80   3HD1  LEU  11          1HD1      LEU  11 -33.611   5.520   5.520
   81   1HD2  LEU  11          3HD2      LEU  11 -34.058   1.745   1.745
   82   2HD2  LEU  11          1HD2      LEU  11 -34.655   3.303   3.303
   83   3HD2  LEU  11          2HD2      LEU  11 -33.050   2.725   2.725
   84    H    LYS  12           H        LYS  12 -30.201   0.237   0.237
   85    HA   LYS  12           HA       LYS  12 -28.329   1.166   1.166
   86   1HB   LYS  12          1HB       LYS  12 -28.149  -0.984  -0.984
   87   2HB   LYS  12          2HB       LYS  12 -29.815  -0.758  -0.758
   88   1HG   LYS  12          1HG       LYS  12 -29.356  -2.189  -2.189
   89   2HG   LYS  12          2HG       LYS  12 -27.712  -2.430  -2.430
   90   1HD   LYS  12          1HD       LYS  12 -28.707  -3.374  -3.374
   91   2HD   LYS  12          2HD       LYS  12 -30.293  -3.333  -3.333
   92   1HE   LYS  12          1HE       LYS  12 -27.858  -4.918  -4.918
   93   2HE   LYS  12          2HE       LYS  12 -29.077  -5.590  -5.590
   94   1HZ   LYS  12          1HZ       LYS  12 -30.767  -5.178  -5.178
   95   2HZ   LYS  12          2HZ       LYS  12 -29.638  -4.545  -4.545
   96   3HZ   LYS  12          3HZ       LYS  12 -29.557  -6.136  -6.136
   97    H    GLU  13           H        GLU  13 -27.655  -0.475  -0.475
   98    HA   GLU  13           HA       GLU  13 -24.687  -0.099  -0.099
   99   1HB   GLU  13          1HB       GLU  13 -25.629  -2.280  -2.280
  100   2HB   GLU  13          2HB       GLU  13 -26.183  -1.423  -1.423
  101   1HG   GLU  13          1HG       GLU  13 -24.150  -2.623  -2.623
  102   2HG   GLU  13          2HG       GLU  13 -23.803  -0.918  -0.918
  103    H    PHE  14           H        PHE  14 -24.984   2.164   2.164
  104    HA   PHE  14           HA       PHE  14 -24.385   3.580   3.580
  105   1HB   PHE  14          1HB       PHE  14 -26.833   3.683   3.683
  106   2HB   PHE  14          2HB       PHE  14 -27.025   4.373   4.373
  107    HD1  PHE  14           HD1      PHE  14 -25.646   4.990   4.990
  108    HD2  PHE  14           HD2      PHE  14 -26.739   6.812   6.812
  109    HE1  PHE  14           HE1      PHE  14 -25.425   7.224   7.224
  110    HE2  PHE  14           HE2      PHE  14 -26.513   9.036   9.036
  111    HZ   PHE  14           HZ       PHE  14 -25.854   9.248   9.248
  112    H    GLY  15           H        GLY  15 -25.240   4.112   4.112
  113   1HA   GLY  15          1HA       GLY  15 -23.012   6.067   6.067
  114   2HA   GLY  15          2HA       GLY  15 -23.928   5.248   5.248
  115    H    ASN  16           H        ASN  16 -23.557   2.552   2.552
  116    HA   ASN  16           HA       ASN  16 -20.815   1.852   1.852
  117   1HB   ASN  16          1HB       ASN  16 -22.915   0.418   0.418
  118   2HB   ASN  16          2HB       ASN  16 -22.920   0.074   0.074
  119   1HD2  ASN  16          1HD2      ASN  16 -20.224  -1.891  -1.891
  120   2HD2  ASN  16          2HD2      ASN  16 -21.152  -0.424  -0.424
  121    H    THR  17           H        THR  17 -22.267   2.216   2.216
  122    HA   THR  17           HA       THR  17 -19.982   1.215   1.215
  123    HB   THR  17           HB       THR  17 -22.071   3.327   3.327
  124    HG1  THR  17           HG1      THR  17 -22.892   1.305   1.305
  125   1HG2  THR  17          1HG2      THR  17 -20.256   1.570   1.570
  126   2HG2  THR  17          2HG2      THR  17 -21.593   2.604   2.604
  127   3HG2  THR  17          3HG2      THR  17 -20.153   3.345   3.345
  128    H    LEU  18           H        LEU  18 -20.799   4.605   4.605
  129    HA   LEU  18           HA       LEU  18 -18.047   5.522   5.522
  130   1HB   LEU  18          1HB       LEU  18 -18.640   7.758   7.758
  131   2HB   LEU  18          2HB       LEU  18 -19.866   6.998   6.998
  132    HG   LEU  18           HG       LEU  18 -21.278   6.752   6.752
  133   1HD1  LEU  18          3HD1      LEU  18 -19.191   8.794   8.794
  134   2HD1  LEU  18          1HD1      LEU  18 -20.772   8.485   8.485
  135   3HD1  LEU  18          2HD1      LEU  18 -19.557   7.206   7.206
  136   1HD2  LEU  18          3HD2      LEU  18 -21.808   8.367   8.367
  137   2HD2  LEU  18          1HD2      LEU  18 -22.136   9.078   9.078
  138   3HD2  LEU  18          2HD2      LEU  18 -20.673   9.555   9.555
  139    H    GLU  19           H        GLU  19 -18.721   3.749   3.749
  140    HA   GLU  19           HA       GLU  19 -16.828   4.954   4.954
  141   1HB   GLU  19          1HB       GLU  19 -18.881   3.789   3.789
  142   2HB   GLU  19          2HB       GLU  19 -18.289   2.284   2.284
  143   1HG   GLU  19          1HG       GLU  19 -16.842   3.940   3.940
  144   2HG   GLU  19          2HG       GLU  19 -18.004   2.676   2.676
  145    H    ASP  20           H        ASP  20 -17.065   1.882   1.882
  146    HA   ASP  20           HA       ASP  20 -14.196   1.296   1.296
  147   1HB   ASP  20          1HB       ASP  20 -14.587  -0.446  -0.446
  148   2HB   ASP  20          2HB       ASP  20 -15.801  -0.476  -0.476
  149    H    LYS  21           H        LYS  21 -16.118   2.925   2.925
  150    HA   LYS  21           HA       LYS  21 -14.012   3.434   3.434
  151   1HB   LYS  21          1HB       LYS  21 -16.584   3.855   3.855
  152   2HB   LYS  21          2HB       LYS  21 -16.310   5.397   5.397
  153   1HG   LYS  21          1HG       LYS  21 -14.695   6.043   6.043
  154   2HG   LYS  21          2HG       LYS  21 -14.966   4.480   4.480
  155   1HD   LYS  21          1HD       LYS  21 -17.421   5.009   5.009
  156   2HD   LYS  21          2HD       LYS  21 -17.194   6.564   6.564
  157   1HE   LYS  21          1HE       LYS  21 -15.817   5.725   5.725
  158   2HE   LYS  21          2HE       LYS  21 -17.336   6.614   6.614
  159   1HZ   LYS  21          1HZ       LYS  21 -16.168   8.418   8.418
  160   2HZ   LYS  21          2HZ       LYS  21 -14.736   7.600   7.600
  161   3HZ   LYS  21          3HZ       LYS  21 -15.475   8.111   8.111
  162    H    ALA  22           H        ALA  22 -14.976   5.581   5.581
  163    HA   ALA  22           HA       ALA  22 -12.891   7.601   7.601
  164   1HB   ALA  22          2HB       ALA  22 -14.910   8.094   8.094
  165   2HB   ALA  22          3HB       ALA  22 -14.407   6.922   6.922
  166   3HB   ALA  22          1HB       ALA  22 -13.441   8.389   8.389
  167    H    ARG  23           H        ARG  23 -12.911   4.761   4.761
  168    HA   ARG  23           HA       ARG  23 -10.272   5.175   5.175
  169   1HB   ARG  23          1HB       ARG  23 -12.074   3.712   3.712
  170   2HB   ARG  23          2HB       ARG  23 -11.804   2.517   2.517
  171   1HG   ARG  23          1HG       ARG  23  -9.546   3.430   3.430
  172   2HG   ARG  23          2HG       ARG  23 -10.771   2.290   2.290
  173   1HD   ARG  23          1HD       ARG  23 -10.172   0.660   0.660
  174   2HD   ARG  23          2HD       ARG  23  -8.981   1.773   1.773
  175    HE   ARG  23           HE       ARG  23  -8.336   1.290   1.290
  176   1HH1  ARG  23          1HH1      ARG  23  -8.176  -0.304  -0.304
  177   2HH1  ARG  23          2HH1      ARG  23  -6.765  -1.326  -1.326
  178   1HH2  ARG  23          1HH2      ARG  23  -6.732   0.076   0.076
  179   2HH2  ARG  23          2HH2      ARG  23  -6.004  -1.124  -1.124
  180    H    GLU  24           H        GLU  24 -11.136   3.087   3.087
  181    HA   GLU  24           HA       GLU  24  -8.343   2.488   2.488
  182   1HB   GLU  24          1HB       GLU  24 -10.970   2.298   2.298
  183   2HB   GLU  24          2HB       GLU  24  -9.418   2.020   2.020
  184   1HG   GLU  24          1HG       GLU  24 -10.091  -0.127  -0.127
  185   2HG   GLU  24          2HG       GLU  24  -8.884   0.206   0.206
  186    H    LEU  25           H        LEU  25 -10.353   5.324   5.324
  187    HA   LEU  25           HA       LEU  25  -8.541   6.453   6.453
  188   1HB   LEU  25          2HB       LEU  25 -10.997   7.112   7.112
  189   2HB   LEU  25          1HB       LEU  25 -10.500   7.953   7.953
  190    HG   LEU  25           HG       LEU  25  -8.982   9.430   9.430
  191   1HD1  LEU  25          3HD1      LEU  25 -10.539   8.078   8.078
  192   2HD1  LEU  25          1HD1      LEU  25  -9.502   9.518   9.518
  193   3HD1  LEU  25          2HD1      LEU  25  -8.786   7.959   7.959
  194   1HD2  LEU  25          3HD2      LEU  25 -11.205  10.210  10.210
  195   2HD2  LEU  25          1HD2      LEU  25 -10.882  10.846  10.846
  196   3HD2  LEU  25          2HD2      LEU  25 -12.016   9.487   9.487
  197    H    ILE  26           H        ILE  26  -8.598   6.736   6.736
  198    HA   ILE  26           HA       ILE  26  -6.395   8.679   8.679
  199    HB   ILE  26           HB       ILE  26  -6.940   6.610   6.610
  200   1HG1  ILE  26          1HG1      ILE  26  -9.105   7.491   7.491
  201   2HG1  ILE  26          2HG1      ILE  26  -8.408   8.202   8.202
  202   1HG2  ILE  26          2HG2      ILE  26  -4.846   7.908   7.908
  203   2HG2  ILE  26          3HG2      ILE  26  -5.731   9.442   9.442
  204   3HG2  ILE  26          1HG2      ILE  26  -6.038   8.349   8.349
  205   1HD1  ILE  26          3HD1      ILE  26  -8.030  10.386  10.386
  206   2HD1  ILE  26          1HD1      ILE  26  -8.780   9.648   9.648
  207   3HD1  ILE  26          2HD1      ILE  26  -9.739   9.885   9.885
  208    H    SER  27           H        SER  27  -6.317   5.059   5.059
  209    HA   SER  27           HA       SER  27  -3.416   4.815   4.815
  210   1HB   SER  27          1HB       SER  27  -3.690   2.474   2.474
  211   2HB   SER  27          2HB       SER  27  -4.834   2.923   2.923
  212    HG   SER  27           HG       SER  27  -5.780   1.717   1.717
  213    H    ARG  28           H        ARG  28  -5.553   4.928   4.928
  214    HA   ARG  28           HA       ARG  28  -3.510   4.685   4.685
  215   1HB   ARG  28          1HB       ARG  28  -5.972   4.500   4.500
  216   2HB   ARG  28          2HB       ARG  28  -6.184   6.212   6.212
  217   1HG   ARG  28          1HG       ARG  28  -4.795   6.779   6.779
  218   2HG   ARG  28          2HG       ARG  28  -4.586   5.056   5.056
  219   1HD   ARG  28          1HD       ARG  28  -7.059   4.775   4.775
  220   2HD   ARG  28          2HD       ARG  28  -7.361   6.438   6.438
  221    HE   ARG  28           HE       ARG  28  -6.237   5.475   5.475
  222   1HH1  ARG  28          1HH1      ARG  28  -6.951   8.331   8.331
  223   2HH1  ARG  28          2HH1      ARG  28  -6.879   9.404   9.404
  224   1HH2  ARG  28          1HH2      ARG  28  -6.182   6.791   6.791
  225   2HH2  ARG  28          2HH2      ARG  28  -6.474   8.588   8.588
  226    H    ILE  29           H        ILE  29  -4.874   7.760   7.760
  227    HA   ILE  29           HA       ILE  29  -3.006   9.545   9.545
  228    HB   ILE  29           HB       ILE  29  -5.079   9.708   9.708
  229   1HG1  ILE  29          1HG1      ILE  29  -5.928  11.603  11.603
  230   2HG1  ILE  29          2HG1      ILE  29  -4.549  11.456  11.456
  231   1HG2  ILE  29          3HG2      ILE  29  -3.076  12.007  12.007
  232   2HG2  ILE  29          1HG2      ILE  29  -4.648  12.096  12.096
  233   3HG2  ILE  29          2HG2      ILE  29  -3.381  11.031  11.031
  234   1HD1  ILE  29          3HD1      ILE  29  -6.730   9.305   9.305
  235   2HD1  ILE  29          1HD1      ILE  29  -6.636  10.461  10.461
  236   3HD1  ILE  29          2HD1      ILE  29  -5.387   9.211   9.211
  237    H    LYS  30           H        LYS  30  -2.818   8.508   8.508
  238    HA   LYS  30           HA       LYS  30  -0.135   9.491   9.491
  239   1HB   LYS  30          1HB       LYS  30  -1.514   7.173   7.173
  240   2HB   LYS  30          2HB       LYS  30  -0.102   8.017   8.017
  241   1HG   LYS  30          1HG       LYS  30  -2.833   9.375   9.375
  242   2HG   LYS  30          2HG       LYS  30  -2.341   8.620   8.620
  243   1HD   LYS  30          1HD       LYS  30  -0.747  10.913  10.913
  244   2HD   LYS  30          2HD       LYS  30  -2.099  11.171  11.171
  245   1HE   LYS  30          1HE       LYS  30  -0.872   9.838   9.838
  246   2HE   LYS  30          2HE       LYS  30   0.511   9.665   9.665
  247   1HZ   LYS  30          3HZ       LYS  30  -0.600  12.259  12.259
  248   2HZ   LYS  30          1HZ       LYS  30   0.788  11.540  11.540
  249   3HZ   LYS  30          2HZ       LYS  30   0.693  12.101  12.101
  250    H    GLN  31           H        GLN  31  -0.749   7.059   7.059
  251    HA   GLN  31           HA       GLN  31   1.897   5.586   5.586
  252   1HB   GLN  31          1HB       GLN  31  -0.532   4.726   4.726
  253   2HB   GLN  31          2HB       GLN  31   1.048   4.050   4.050
  254   1HG   GLN  31          1HG       GLN  31   1.307   3.206   3.206
  255   2HG   GLN  31          2HG       GLN  31  -0.219   3.916   3.916
  256   1HE2  GLN  31          2HE2      GLN  31  -0.295   0.339   0.339
  257   2HE2  GLN  31          1HE2      GLN  31   1.260   1.273   1.273
  258    H    SER  32           H        SER  32   0.619   8.109   8.109
  259    HA   SER  32           HA       SER  32   3.332   8.399   8.399
  260   1HB   SER  32          1HB       SER  32   0.746   8.876   8.876
  261   2HB   SER  32          2HB       SER  32   2.358   9.390   9.390
  262    HG   SER  32           HG       SER  32   1.786   7.398   7.398
  263    H    GLU  33           H        GLU  33   3.635   9.680   9.680
  264    HA   GLU  33           HA       GLU  33   3.078  12.523  12.523
  265   1HB   GLU  33          1HB       GLU  33   1.930  11.271  11.271
  266   2HB   GLU  33          2HB       GLU  33   2.557  12.920  12.920
  267   1HG   GLU  33          1HG       GLU  33   0.964  13.579  13.579
  268   2HG   GLU  33          2HG       GLU  33   0.290  11.953  11.953
  269    H    LEU  34           H        LEU  34   5.233  11.530  11.530
  270    HA   LEU  34           HA       LEU  34   7.328  10.844  10.844
  271   1HB   LEU  34          1HB       LEU  34   7.931  12.907  12.907
  272   2HB   LEU  34          2HB       LEU  34   7.167  13.331  13.331
  273    HG   LEU  34           HG       LEU  34   9.654  13.631  13.631
  274   1HD1  LEU  34          3HD1      LEU  34   8.496  12.039  12.039
  275   2HD1  LEU  34          1HD1      LEU  34  10.062  12.878  12.878
  276   3HD1  LEU  34          2HD1      LEU  34   8.545  13.779  13.779
  277   1HD2  LEU  34          3HD2      LEU  34  10.347  11.543  11.543
  278   2HD2  LEU  34          1HD2      LEU  34  11.245  11.810  11.810
  279   3HD2  LEU  34          2HD2      LEU  34   9.965  10.584  10.584
  280    H    SER  35           H        SER  35   5.833   9.535   9.535
  281    HA   SER  35           HA       SER  35   4.360   8.849   8.849
  282   1HB   SER  35          1HB       SER  35   4.631   6.966   6.966
  283   2HB   SER  35          2HB       SER  35   6.082   6.473   6.473
  284    HG   SER  35           HG       SER  35   3.455   6.707   6.707
  285    H    ALA  36           H        ALA  36   3.421   9.313   9.313
  286    HA   ALA  36           HA       ALA  36   4.807  10.313  10.313
  287   1HB   ALA  36          2HB       ALA  36   3.241  11.648  11.648
  288   2HB   ALA  36          3HB       ALA  36   1.922  10.480  10.480
  289   3HB   ALA  36          1HB       ALA  36   2.566  11.422  11.422
  290    H    LYS  37           H        LYS  37   2.545   7.626   7.626
  291    HA   LYS  37           HA       LYS  37   2.597   6.540   6.540
  292   1HB   LYS  37          1HB       LYS  37   1.755   5.435   5.435
  293   2HB   LYS  37          2HB       LYS  37   2.190   4.275   4.275
  294   1HG   LYS  37          1HG       LYS  37   0.543   5.109   5.109
  295   2HG   LYS  37          2HG       LYS  37   0.098   6.450   6.450
  296   1HD   LYS  37          1HD       LYS  37  -0.782   4.861   4.861
  297   2HD   LYS  37          2HD       LYS  37  -0.202   3.490   3.490
  298   1HE   LYS  37          1HE       LYS  37  -2.576   3.626   3.626
  299   2HE   LYS  37          2HE       LYS  37  -1.790   4.047   4.047
  300   1HZ   LYS  37          2HZ       LYS  37  -2.944   5.995   5.995
  301   2HZ   LYS  37          3HZ       LYS  37  -3.617   5.543   5.543
  302   3HZ   LYS  37          1HZ       LYS  37  -2.209   6.407   6.407
  303    H    MET  38           H        MET  38   4.761   6.073   6.073
  304    HA   MET  38           HA       MET  38   6.486   4.199   4.199
  305   1HB   MET  38          1HB       MET  38   7.851   3.963   3.963
  306   2HB   MET  38          2HB       MET  38   6.326   4.400   4.400
  307   1HG   MET  38          1HG       MET  38   7.223   6.694   6.694
  308   2HG   MET  38          2HG       MET  38   8.693   6.365   6.365
  309   1HE   MET  38          2HE       MET  38   8.985   7.425   7.425
  310   2HE   MET  38          1HE       MET  38  10.394   6.813   6.813
  311   3HE   MET  38          3HE       MET  38  10.121   6.271   6.271
  312    H    ARG  39           H        ARG  39   6.237   7.528   7.528
  313    HA   ARG  39           HA       ARG  39   9.034   8.254   8.254
  314   1HB   ARG  39          1HB       ARG  39   6.924   9.881   9.881
  315   2HB   ARG  39          2HB       ARG  39   6.999   9.812   9.812
  316   1HG   ARG  39          1HG       ARG  39   8.320  11.663  11.663
  317   2HG   ARG  39          2HG       ARG  39   9.619  10.502  10.502
  318   1HD   ARG  39          1HD       ARG  39   8.137  11.892  11.892
  319   2HD   ARG  39          2HD       ARG  39   9.771  12.199  12.199
  320    HE   ARG  39           HE       ARG  39   8.805   9.790   9.790
  321   1HH1  ARG  39          1HH1      ARG  39  11.609  11.360  11.360
  322   2HH1  ARG  39          2HH1      ARG  39  12.731  10.407  10.407
  323   1HH2  ARG  39          1HH2      ARG  39  10.146   8.808   8.808
  324   2HH2  ARG  39          2HH2      ARG  39  11.955   9.058   9.058
  325    H    GLU  40           H        GLU  40   7.073   7.384   7.384
  326    HA   GLU  40           HA       GLU  40   9.267   7.668   7.668
  327   1HB   GLU  40          1HB       GLU  40   6.735   5.991   5.991
  328   2HB   GLU  40          2HB       GLU  40   7.888   6.173   6.173
  329   1HG   GLU  40          1HG       GLU  40   7.521   8.668   8.668
  330   2HG   GLU  40          2HG       GLU  40   6.351   8.526   8.526
  331    H    TRP  41           H        TRP  41   8.097   4.770   4.770
  332    HA   TRP  41           HA       TRP  41  10.232   2.926   2.926
  333   1HB   TRP  41          1HB       TRP  41   8.062   2.214   2.214
  334   2HB   TRP  41          2HB       TRP  41   8.436   3.008   3.008
  335    HD1  TRP  41           HD1      TRP  41   9.064  -0.280  -0.280
  336    HE1  TRP  41           HE1      TRP  41  10.291  -2.057  -2.057
  337    HE3  TRP  41           HE3      TRP  41  10.300   2.941   2.941
  338    HZ2  TRP  41           HZ2      TRP  41  11.600  -1.878  -1.878
  339    HZ3  TRP  41           HZ3      TRP  41  11.570   2.104   2.104
  340    HH2  TRP  41           HH2      TRP  41  12.208  -0.271  -0.271
  341    H    PHE  42           H        PHE  42  10.192   5.389   5.389
  342    HA   PHE  42           HA       PHE  42  12.553   4.432   4.432
  343   1HB   PHE  42          1HB       PHE  42  10.849   6.295   6.295
  344   2HB   PHE  42          2HB       PHE  42  11.790   7.416   7.416
  345    HD1  PHE  42           HD1      PHE  42  11.845   4.963   4.963
  346    HD2  PHE  42           HD2      PHE  42  14.048   8.089   8.089
  347    HE1  PHE  42           HE1      PHE  42  13.406   5.075   5.075
  348    HE2  PHE  42           HE2      PHE  42  15.602   8.184   8.184
  349    HZ   PHE  42           HZ       PHE  42  15.283   6.682   6.682
  350    H    SER  43           H        SER  43  12.210   6.661   6.661
  351    HA   SER  43           HA       SER  43  15.104   7.404   7.404
  352   1HB   SER  43          1HB       SER  43  14.502   8.460   8.460
  353   2HB   SER  43          2HB       SER  43  13.440   8.990   8.990
  354    HG   SER  43           HG       SER  43  12.323   8.479   8.479
  355    H    GLU  44           H        GLU  44  13.005   4.947   4.947
  356    HA   GLU  44           HA       GLU  44  15.005   3.806   3.806
  357   1HB   GLU  44          1HB       GLU  44  12.440   2.640   2.640
  358   2HB   GLU  44          2HB       GLU  44  13.406   1.756   1.756
  359   1HG   GLU  44          1HG       GLU  44  13.044   3.466   3.466
  360   2HG   GLU  44          2HG       GLU  44  12.180   4.510   4.510
  361    H    THR  45           H        THR  45  13.985   2.722   2.722
  362    HA   THR  45           HA       THR  45  15.942   0.482   0.482
  363    HB   THR  45           HB       THR  45  14.023   1.371   1.371
  364    HG1  THR  45           HG1      THR  45  12.780  -0.310  -0.310
  365   1HG2  THR  45          3HG2      THR  45  15.462  -1.340  -1.340
  366   2HG2  THR  45          1HG2      THR  45  14.176  -1.002  -1.002
  367   3HG2  THR  45          2HG2      THR  45  15.742  -0.183  -0.183
  368    H    PHE  46           H        PHE  46  15.714   3.510   3.510
  369    HA   PHE  46           HA       PHE  46  17.788   2.840   2.840
  370   1HB   PHE  46          1HB       PHE  46  15.980   4.612   4.612
  371   2HB   PHE  46          2HB       PHE  46  16.859   5.658   5.658
  372    HD1  PHE  46           HD2      PHE  46  17.254   3.723   3.723
  373    HD2  PHE  46           HD1      PHE  46  18.585   7.091   7.091
  374    HE1  PHE  46           HE2      PHE  46  18.542   4.554   4.554
  375    HE2  PHE  46           HE1      PHE  46  19.853   7.919   7.919
  376    HZ   PHE  46           HZ       PHE  46  19.841   6.650   6.650
  377    H    GLN  47           H        GLN  47  18.170   4.575   4.575
  378    HA   GLN  47           HA       GLN  47  20.962   5.237   5.237
  379   1HB   GLN  47          1HB       GLN  47  21.045   5.110   5.110
  380   2HB   GLN  47          2HB       GLN  47  19.693   6.033   6.033
  381   1HG   GLN  47          1HG       GLN  47  18.118   4.139   4.139
  382   2HG   GLN  47          2HG       GLN  47  19.437   3.123   3.123
  383   1HE2  GLN  47          2HE2      GLN  47  19.414   4.529   4.529
  384   2HE2  GLN  47          1HE2      GLN  47  20.135   3.327   3.327
  385    H    LYS  48           H        LYS  48  19.669   1.969   1.969
  386    HA   LYS  48           HA       LYS  48  22.351   0.734   0.734
  387   1HB   LYS  48          1HB       LYS  48  19.698  -0.683  -0.683
  388   2HB   LYS  48          2HB       LYS  48  21.219  -1.462  -1.462
  389   1HG   LYS  48          1HG       LYS  48  20.489  -1.612  -1.612
  390   2HG   LYS  48          2HG       LYS  48  21.133   0.000   0.000
  391   1HD   LYS  48          1HD       LYS  48  18.996   0.141   0.141
  392   2HD   LYS  48          2HD       LYS  48  18.788   0.924   0.924
  393   1HE   LYS  48          1HE       LYS  48  16.803  -0.500  -0.500
  394   2HE   LYS  48          2HE       LYS  48  17.742  -1.303  -1.303
  395   1HZ   LYS  48          3HZ       LYS  48  17.724  -2.023  -2.023
  396   2HZ   LYS  48          1HZ       LYS  48  16.968  -2.844  -2.844
  397   3HZ   LYS  48          2HZ       LYS  48  18.618  -2.796  -2.796
  398    H    VAL  49           H        VAL  49  20.157   1.052   1.052
  399    HA   VAL  49           HA       VAL  49  21.808  -0.408  -0.408
  400    HB   VAL  49           HB       VAL  49  20.082   1.970   1.970
  401   1HG1  VAL  49          3HG1      VAL  49  21.481   1.073   1.073
  402   2HG1  VAL  49          1HG1      VAL  49  20.821  -0.558  -0.558
  403   3HG1  VAL  49          2HG1      VAL  49  19.768   0.765   0.765
  404   1HG2  VAL  49          2HG2      VAL  49  18.568   0.464   0.464
  405   2HG2  VAL  49          3HG2      VAL  49  18.135   0.406   0.406
  406   3HG2  VAL  49          1HG2      VAL  49  19.057  -0.936  -0.936
  407    H    LYS  50           H        LYS  50  21.716   3.147   3.147
  408    HA   LYS  50           HA       LYS  50  23.618   3.905   3.905
  409   1HB   LYS  50          1HB       LYS  50  21.818   5.255   5.255
  410   2HB   LYS  50          2HB       LYS  50  22.766   5.242   5.242
  411   1HG   LYS  50          1HG       LYS  50  24.581   6.562   6.562
  412   2HG   LYS  50          2HG       LYS  50  23.580   6.518   6.518
  413   1HD   LYS  50          1HD       LYS  50  22.977   8.576   8.576
  414   2HD   LYS  50          2HD       LYS  50  21.678   7.625   7.625
  415   1HE   LYS  50          1HE       LYS  50  24.239   8.457   8.457
  416   2HE   LYS  50          2HE       LYS  50  22.754   9.403   9.403
  417   1HZ   LYS  50          2HZ       LYS  50  21.577   7.542   7.542
  418   2HZ   LYS  50          3HZ       LYS  50  22.958   6.634   6.634
  419   3HZ   LYS  50          1HZ       LYS  50  22.854   8.019   8.019
  420    H    GLU  51           H        GLU  51  24.230   3.433   3.433
  421    HA   GLU  51           HA       GLU  51  27.135   3.767   3.767
  422   1HB   GLU  51          1HB       GLU  51  27.256   2.882   2.882
  423   2HB   GLU  51          2HB       GLU  51  25.826   3.879   3.879
  424   1HG   GLU  51          1HG       GLU  51  24.456   1.647   1.647
  425   2HG   GLU  51          2HG       GLU  51  25.940   0.789   0.789
  426    H    LYS  52           H        LYS  52  25.255   1.077   1.077
  427    HA   LYS  52           HA       LYS  52  27.532  -0.907  -0.907
  428   1HB   LYS  52          1HB       LYS  52  25.200  -1.677  -1.677
  429   2HB   LYS  52          2HB       LYS  52  24.653  -1.160  -1.160
  430   1HG   LYS  52          1HG       LYS  52  24.899  -3.533  -3.533
  431   2HG   LYS  52          2HG       LYS  52  26.123  -2.878  -2.878
  432   1HD   LYS  52          1HD       LYS  52  27.867  -3.187  -3.187
  433   2HD   LYS  52          2HD       LYS  52  26.649  -3.819  -3.819
  434   1HE   LYS  52          1HE       LYS  52  27.424  -5.108  -5.108
  435   2HE   LYS  52          2HE       LYS  52  28.105  -5.571  -5.571
  436   1HZ   LYS  52          2HZ       LYS  52  25.881  -6.225  -6.225
  437   2HZ   LYS  52          3HZ       LYS  52  25.223  -5.796  -5.796
  438   3HZ   LYS  52          1HZ       LYS  52  26.307  -7.042  -7.042
  439    H    LEU  53           H        LEU  53  25.634   0.949   0.949
  440    HA   LEU  53           HA       LEU  53  26.318   1.858   1.858
  441   1HB   LEU  53          1HB       LEU  53  28.790   0.132   0.132
  442   2HB   LEU  53          2HB       LEU  53  28.298   1.364   1.364
  443    HG   LEU  53           HG       LEU  53  29.002   1.930   1.930
  444   1HD1  LEU  53          1HD1      LEU  53  30.990   1.113   1.113
  445   2HD1  LEU  53          2HD1      LEU  53  30.740   2.325   2.325
  446   3HD1  LEU  53          3HD1      LEU  53  31.158   2.837   2.837
  447   1HD2  LEU  53          2HD2      LEU  53  28.550   3.924   3.924
  448   2HD2  LEU  53          3HD2      LEU  53  27.486   3.697   3.697
  449   3HD2  LEU  53          1HD2      LEU  53  29.116   4.341   4.341
  450    H    LYS  54           H        LYS  54  26.825  -1.681  -1.681
  451    HA   LYS  54           HA       LYS  54  25.736  -3.444  -3.444
  452   1HB   LYS  54          1HB       LYS  54  23.800  -1.575  -1.575
  453   2HB   LYS  54          2HB       LYS  54  23.724  -3.317  -3.317
  454   1HG   LYS  54          1HG       LYS  54  23.351  -1.403  -1.403
  455   2HG   LYS  54          2HG       LYS  54  22.078  -2.177  -2.177
  456   1HD   LYS  54          1HD       LYS  54  22.855  -4.450  -4.450
  457   2HD   LYS  54          2HD       LYS  54  24.175  -3.720  -3.720
  458   1HE   LYS  54          1HE       LYS  54  22.519  -2.481  -2.481
  459   2HE   LYS  54          2HE       LYS  54  21.173  -3.170  -3.170
  460   1HZ   LYS  54          2HZ       LYS  54  23.164  -4.745  -4.745
  461   2HZ   LYS  54          3HZ       LYS  54  21.606  -4.430  -4.430
  462   3HZ   LYS  54          1HZ       LYS  54  21.909  -5.391  -5.391
  463    H    ILE  55           H        ILE  55  27.633  -3.864  -3.864
  464    HA   ILE  55           HA       ILE  55  29.256  -4.170  -4.170
  465    HB   ILE  55           HB       ILE  55  27.463  -2.948  -2.948
  466   1HG1  ILE  55          1HG1      ILE  55  28.254  -5.888  -5.888
  467   2HG1  ILE  55          2HG1      ILE  55  26.725  -5.177  -5.177
  468   1HG2  ILE  55          2HG2      ILE  55  29.884  -2.631  -2.631
  469   2HG2  ILE  55          3HG2      ILE  55  30.200  -4.358  -4.358
  470   3HG2  ILE  55          1HG2      ILE  55  29.131  -3.835  -3.835
  471   1HD1  ILE  55          2HD1      ILE  55  26.147  -4.703  -4.703
  472   2HD1  ILE  55          3HD1      ILE  55  27.640  -5.559  -5.559
  473   3HD1  ILE  55          1HD1      ILE  55  26.361  -6.436  -6.436
  474    H    ASP  56           H        ASP  56  30.668  -2.953  -2.953
  475    HA   ASP  56           HA       ASP  56  30.613  -0.089  -0.089
  476   1HB   ASP  56          1HB       ASP  56  32.752  -0.148  -0.148
  477   2HB   ASP  56          2HB       ASP  56  31.662  -1.371  -1.371
  478    H    SER  57           H        SER  57  33.041  -1.840  -1.840
  479    HA   SER  57           HA       SER  57  33.602   0.742   0.742
  480   1HB   SER  57          1HB       SER  57  35.504  -0.724  -0.724
  481   2HB   SER  57          2HB       SER  57  34.907  -2.037  -2.037
  482    HG   SER  57           HG       SER  57  36.485  -0.766  -0.766