*HEADER    MEMBRANE PROTEIN                        03-JAN-00   1DQB              
*TITLE     NMR STRUCTURE OF THROMBOMODULIN EGF(4-5)                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THROMBOMODULIN;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THE FOURTH AND FIFTH EGF-LIKE DOMAINS;                     
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: RESIDUES 346-426                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 CELL: ENDOTHELIAL;                                                   
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: YEAST;                                     
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: SMD1168                                    
*KEYWDS    NMR, THROMBIN, EGF MODULE, ANTICOAGULANT, GLYCOSYLATION               
*EXPDTA    NMR, 12 STRUCTURES                                                    
*AUTHOR    M.J.WOOD, B.A.SAMPOLI-BENITEZ, E.A.KOMIVES                            
*REVDAT   1   06-MAR-00 1DQB    0                                                
!BIOSYM restraint 1
!
#NOE_distance
1:LEU_26:HN       1:GLN_18:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.785  !  
1:VAL_28:HN       1:GLN_18:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.951  !  
1:LEU_20:HN       1:LEU_26:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.714  !  
1:CYS_13:HN       1:GLU-_14:HN        1.800    4.000    4.000    1.000   30.000 1000.000    3.490  !  
1:PHE_33:HN       1:GLY_32:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.788  !  
1:GLU-_31:HN      1:GLY_32:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.289  !    
1:GLN_16:HN       1:VAL_28:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.551  !  
1:ASN_21:HN       1:LEU_20:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.609  !  
1:TYR_70:HN       1:GLY_69:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.533  !  
1:PHE_9:HN        1:CYS_8:HN          1.800    3.000    3.000    1.000   30.000 1000.000    2.668  !  
1:ARG+_42:HN      1:HISD_41:HN        1.800    3.000    3.000    1.000   30.000 1000.000    2.769  !  
1:ASN_59:HD21     1:ASN_59:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.888  !    
1:THR_60:HN       1:ASN_59:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.724  !  
1:CYS_43:HN       1:GLN_44:HN         1.800    5.000    5.000    1.000   30.000 1000.000    5.505  !   
1:PHE_76:HN       1:GLY_75:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.688  !  
1:SER_63:HN       1:ALA_62:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.484  !  
1:ALA_30:HN       1:CYS_29:HN         1.800    5.000    5.000    1.000   30.000 1000.000    3.522  !  
1:ALA_30:HN       1:GLU-_31:HN        1.800    5.000    5.000    1.000   30.000 1000.000    4.133  !    
1:THR_60:HN       1:GLN_61:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.996  !  
1:ILE_36:HN       1:GLN_44:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.804  !  
1:CYS_64:HN       1:SER_63:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.836  !  
1:ILE_77:HN       1:PHE_76:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.481  !  
1:SER_24:HN       1:TYR_25:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.138  !  
1:ASN_59:HD22     1:ASN_59:HD21       1.800    3.000    3.000    1.000   30.000 1000.000    1.847  !  
1:HISD_41:HN      1:PRO_40:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    4.002  !    
1:ALA_11:HN       1:ARG+_10:HN        1.800    3.000    3.000    1.000   30.000 1000.000    2.551  !  
1:ASN_21:HN       1:SER_24:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.516  !  
1:ILE_36:HN       1:CYS_43:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.180  !
1:HISD_41:HN      1:GLU-_39:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.946  !  
1:GLN_49:HE22     1:GLN_49:HE21       1.800    3.000    3.000    1.000   30.000 1000.000    1.568  !  
1:ASN_12:HN       1:CYS_13:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.170  !    
1:GLN_61:HE22     1:GLN_61:HE21       1.800    3.000    3.000    1.000   30.000 1000.000    1.645  !  
1:GLN_44:HE22     1:GLN_44:HE21       1.800    3.000    3.000    1.000   30.000 1000.000    1.915  !  
1:PHE_9:HN        1:PHE_9:HD*         1.800    5.000    5.000    1.000   30.000 1000.000    4.238  !    
1:PHE_33:HN       1:PHE_33:HE*        1.800    5.000    5.000    1.000   30.000 1000.000    4.437  !    
1:GLN_18:HE22     1:GLN_18:HE21       1.800    3.000    3.000    1.000   30.000 1000.000    1.701  !  
1:ASN_12:HD21     1:ASN_12:HD22       1.800    3.000    3.000    1.000   30.000 1000.000    1.973  !  
1:ALA_30:HN       1:TYR_15:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.685  !  
1:TYR_15:HN       1:TYR_15:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.733  !  
1:GLN_16:HN       1:TYR_15:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.016  !  
1:GLN_16:HE22     1:GLN_16:HE21       1.800    3.000    3.000    1.000   30.000 1000.000    1.825  !  
1:GLN_22:HE22     1:GLN_22:HE21       1.800    3.000    3.000    1.000   30.000 1000.000    1.802  !  
1:GLN_44:HN       1:PHE_33:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    4.374  !    
1:PHE_33:HN       1:PHE_33:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.369  !  
1:TYR_25:HN       1:TYR_25:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.182  !  
1:LEU_26:HN       1:TYR_25:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.357  !  
1:ALA_34:HN       1:PHE_46:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.723  !  
1:CYS_27:HN       1:CYS_27:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.276  !  
1:VAL_28:HN       1:CYS_27:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.385  !  
1:GLN_18:HN       1:CYS_27:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.349  !  
1:ILE_36:HN       1:CYS_43:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.301  !  
1:CYS_43:HN       1:CYS_43:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.528  !  
1:GLN_44:HN       1:CYS_43:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.517  !  
1:ASN_21:HN       1:TYR_25:HA         1.800    5.000    5.000    1.000   30.000 1000.000    3.702  !  
1:GLN_18:HN       1:GLN_18:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.340  !  
1:LEU_20:HN       1:TYR_25:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.842  !  
1:CYS_17:HN       1:CYS_17:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.036  !  
1:LEU_26:HN       1:TYR_25:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.481  !  
1:VAL_28:HN       1:CYS_17:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.011  !  
1:TYR_25:HN       1:TYR_25:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.961  !  
1:ILE_36:HN       1:PRO_35:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.717  !  
1:PHE_46:HN       1:PHE_33:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.622  !  
1:ALA_34:HN       1:PHE_33:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.752  !  
1:PHE_33:HN       1:PHE_33:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.937  !  
1:GLN_44:HN       1:GLN_44:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.799  !  
1:MET_45:HN       1:GLN_44:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.426  !  
1:TYR_25:HN       1:SER_24:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.204  !  
1:SER_24:HN       1:SER_24:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.972  !  
1:ASP-_57:HN      1:ASP-_57:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.884  !  
1:ASP-_6:HN       1:ASP-_6:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.967  !  
1:CYS_8:HN        1:ASP-_6:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.533  !  
1:ASP-_80:HN      1:THR_79:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.937  !  
1:ALA_30:HN       1:CYS_29:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.512  !  
1:ALA_34:HN       1:ALA_34:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.430  !  
1:CYS_29:HN       1:CYS_29:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.879  !  
1:TYR_15:HN       1:TYR_15:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.933  !  
1:GLN_16:HN       1:TYR_15:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.873  !  
1:CYS_52:HN       1:ALA_51:HA         1.800    3.000    3.000    1.000   30.000 1000.000    3.022  !  
1:GLU-_65:HN      1:CYS_64:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.426  !  
1:GLU-_14:HN      1:CYS_13:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.623  !  
1:CYS_27:HN       1:LEU_26:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.148  !  
1:LEU_26:HN       1:LEU_26:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.283  !  
1:CYS_56:HN       1:CYS_56:HA         1.800    3.000    3.000    1.000   30.000 1000.000    1.983  !  
1:GLU-_39:HN      1:GLU-_39:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.606  !  
1:ASP-_57:HN      1:CYS_56:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.185  !  
1:CYS_47:HN       1:CYS_47:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.050  !  
1:ARG+_42:HN      1:ARG+_42:HA        1.800    3.000    3.000    1.000   30.000 1000.000    1.813  !  
1:CYS_64:HN       1:CYS_64:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.157  !  
1:VAL_28:HN       1:VAL_28:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.710  !  
1:ASP-_55:HN      1:ASP-_55:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.113  !  
1:HISD_41:HN      1:PRO_40:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.550  !  
1:ASP-_74:HN      1:ASP-_73:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.468  !  
1:CYS_43:HN       1:ARG+_42:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.295  !  
1:SER_24:HN       1:THR_23:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.594  !  
1:CYS_13:HN       1:ASN_12:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.676  !  
1:ASN_12:HN       1:ASN_12:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.170  !  
1:ASN_59:HN       1:ASN_59:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.583  !  
1:THR_60:HN       1:ASN_59:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.458  !  
1:THR_23:HN       1:THR_23:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.396  !  
1:GL-C_83:HN      1:ASP-_82:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.345  !  
1:CYS_29:HN       1:VAL_28:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.228  !  
1:ILE_36:HN       1:PHE_46:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.449  !  
1:ASP-_73:HN      1:LEU_72:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.965  !  
1:LEU_20:HN       1:LEU_20:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.433  !  
1:LEU_26:HN       1:LEU_20:HA         1.800    5.000    5.000    1.000   30.000 1000.000    3.459  !  
1:LEU_72:HN       1:LEU_72:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.613  !  
1:CYS_66:HN       1:GLU-_65:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.388  !  
1:ASN_21:HN       1:ASN_21:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.503  !  
1:GLU-_3:HN       1:MET_2:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.591  !  
1:CYS_17:HN       1:GLN_16:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.232  !  
1:GLU-_65:HN      1:GLU-_65:HA        1.800    3.000    3.000    1.000   30.000 1000.000    3.301  !  
1:GLN_61:HN       1:THR_60:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.937  !  
1:GLU-_68:HN      1:PRO_67:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.152  !  
1:CYS_13:HN       1:CYS_27:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    3.990  !  
1:CYS_8:HN        1:PRO_7:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.341  !  
1:THR_60:HN       1:THR_60:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.914  !  
1:ALA_54:HN       1:PRO_53:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.221  !  
1:MET_2:HN        1:MET_2:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.828  !  
1:CYS_64:HN       1:SER_63:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.143  !  
1:GLN_16:HN       1:GLN_16:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.163  !  
1:SER_63:HN       1:SER_63:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.880  !  
1:ASN_59:HN       1:PRO_58:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.308  !  
1:ASP-_80:HN      1:ASP-_80:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.620  !  
1:CYS_78:HN       1:ILE_77:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.712  !  
1:ASP-_55:HN      1:ALA_54:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.374  !  
1:ASP-_74:HN      1:ASP-_74:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.851  !  
1:ALA_62:HN       1:ALA_62:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.471  !  
1:PHE_9:HN        1:PHE_9:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.585  !  
1:ALA_11:HN       1:PHE_9:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.658  !  
1:GLN_61:HN       1:GLN_61:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.833  !  
1:ILE_77:HN       1:ILE_77:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.900  !  
1:VAL_5:HN        1:PRO_4:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.357  !  
1:ARG+_10:HN      1:PHE_9:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.947  !  
1:THR_60:HN       1:THR_60:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.280  !  
1:GLY_75:HN       1:ASP-_74:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.548  !  
1:SER_63:HN       1:ALA_62:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.840  !  
1:ALA_51:HN       1:THR_50:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.373  !  
1:ILE_77:HN       1:PHE_76:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.925  !  
1:GLU-_68:HN      1:GLU-_68:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.780  !  
1:PHE_33:HN       1:GLU-_31:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.891  !  
1:TYR_70:HN       1:GLY_69:HA2        1.800    4.000    4.000    1.000   30.000 1000.000    3.495  !  
1:GLN_22:HN       1:GLN_22:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.043  !    
1:GLY_69:HN       1:GLU-_68:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.564  !  
1:ASP-_82:HN      1:ILE_81:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.552  !  
1:GLU-_31:HN      1:GLU-_31:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.735  !  
1:PHE_76:HN       1:PHE_76:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.445  !  
1:GLY_32:HN       1:GLU-_31:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.256  !  
1:ALA_11:HN       1:ARG+_10:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.556  !  
1:ARG+_10:HN      1:ARG+_10:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.767  !  
1:ASP-_6:HN       1:VAL_5:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.199  !  
1:PHE_9:HN        1:CYS_8:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.022  !  
1:TYR_25:HN       1:SER_24:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.211  !  
1:VAL_5:HN        1:VAL_5:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.297  !  
1:ILE_36:HN       1:ILE_36:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.235  !  
1:CYS_8:HN        1:CYS_8:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.527  !  
1:GLU-_14:HN      1:GLU-_14:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.868  !  
1:TYR_15:HN       1:GLU-_14:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.479  !  
1:GLN_18:HN       1:PRO_19:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    4.078  !    
1:ASP-_57:HN      1:SER_63:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.995  !  
1:ALA_11:HN       1:ALA_11:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.827  !  
1:CYS_64:HN       1:SER_63:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    6.553  !    
1:PHE_76:HN       1:GLY_75:HA1        1.800    3.000    3.000    1.000   30.000 1000.000    3.175  !
1:PHE_76:HN       1:GLY_75:HA2        1.800    3.000    3.000    1.000   30.000 1000.000    3.175  !
1:ASN_12:HN       1:ALA_11:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.156  !  
1:ASN_59:HN       1:PRO_58:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.315  !  
1:SER_63:HN       1:SER_63:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    3.290  !  
1:GLY_75:HN       1:GLY_75:HA1        1.800    3.000    3.000    1.000   30.000 1000.000    2.549  !  
1:GLY_75:HN       1:GLY_75:HA2        1.800    3.000    3.000    1.000   30.000 1000.000    2.549  !
1:CYS_27:HN       1:CYS_27:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.208  !  
1:GLU-_39:HN      1:PRO_40:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.536  !  
1:VAL_28:HN       1:CYS_27:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.330  !  
1:TYR_25:HN       1:SER_24:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.723  !  
1:GLU-_31:HN      1:ALA_30:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.298  !  
1:SER_24:HN       1:SER_24:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.125  !  
1:GLN_16:HN       1:TYR_15:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.662  !  
1:GLU-_14:HN      1:CYS_13:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.417  !  
1:TYR_15:HN       1:TYR_15:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.792  !  
1:CYS_13:HN       1:CYS_13:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.015  !  
1:GLY_69:HN       1:GLY_69:HA1        1.800    3.000    3.000    1.000   30.000 1000.000    2.878  !  
1:PHE_46:HN       1:MET_45:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.479  !  
1:ALA_34:HN       1:MET_45:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.495  !  
1:SER_24:HN       1:SER_24:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.944  !  
1:PHE_33:HN       1:GLY_32:HA1        1.800    3.000    3.000    1.000   30.000 1000.000    2.864  !  
1:GLY_32:HN       1:GLY_32:HA1        1.800    3.000    3.000    1.000   30.000 1000.000    2.601  !  
1:GLU-_39:HN      1:HISD_38:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.788  !  
1:HISD_41:HN      1:HISD_41:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    2.836  !  
1:GLN_22:HN       1:ASN_21:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.772  !  
1:PHE_9:HN        1:PHE_9:HB1         1.800    3.000    3.000    1.000   30.000 1000.000    2.403  !  
1:ALA_30:HN       1:PHE_33:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.235  !  
1:LEU_26:HN       1:LEU_26:HD2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.125  !    
1:PHE_33:HN       1:PHE_33:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.933  !  
1:PHE_76:HN       1:PHE_76:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    3.083  !  
1:CYS_8:HN        1:CYS_8:HB1         1.800    3.000    3.000    1.000   30.000 1000.000    2.381  !  
1:GLU-_14:HN      1:HISD_41:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.555  !  
1:ALA_11:HN       1:ARG+_10:HD*       1.800    5.000    5.000    1.000   30.000 1000.000    4.484  !    
1:LEU_26:HN       1:TYR_25:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    2.837  !  
1:ARG+_42:HN      1:HISD_41:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.095  !  
1:CYS_56:HN       1:CYS_56:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.909  !  
1:HISD_41:HN      1:HISD_41:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    2.965  !  
1:ALA_30:HN       1:CYS_29:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.699  !  
1:PHE_9:HN        1:PHE_9:HB2         1.800    3.000    3.000    1.000   30.000 1000.000    2.399  !  
1:TYR_25:HN       1:TYR_25:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.682  !  
1:ARG+_10:HN      1:PHE_9:HB2         1.800    4.000    4.000    1.000   30.000 1000.000    3.191  !  
1:CYS_78:HN       1:CYS_78:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    3.288  !  
1:LEU_26:HN       1:GLN_18:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.125  !    
1:GLU-_65:HN      1:CYS_64:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.332  !  
1:CYS_56:HN       1:CYS_56:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.764  !  
1:CYS_66:HN       1:CYS_66:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    2.919  !  
1:TYR_15:HN       1:TYR_15:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    3.000  !  
1:GLN_16:HN       1:TYR_15:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.702  !  
1:ASP-_57:HN      1:ASP-_57:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.363  !  
1:CYS_64:HN       1:CYS_64:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.887  !  
1:GLN_44:HN       1:CYS_43:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.222  !  
1:CYS_43:HN       1:CYS_43:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.746  !  
1:CYS_8:HN        1:CYS_8:HB2         1.800    3.000    3.000    1.000   30.000 1000.000    2.537  !  
1:CYS_27:HN       1:CYS_27:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.880  !  
1:VAL_28:HN       1:CYS_27:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.253  !  
1:ASN_59:HN       1:ASN_59:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.804  !  
1:ASN_59:HD21     1:ASN_59:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.727  !  
1:THR_60:HN       1:ASN_59:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    3.000  !  
1:GLN_18:HN       1:CYS_17:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.218  !  
1:CYS_17:HN       1:CYS_17:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.567  !  
1:CYS_47:HN       1:CYS_47:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    3.324  !  
1:ASN_48:HN       1:ASN_48:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.582  !  
1:GLN_49:HN       1:ASN_48:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    4.037  !    
1:ASP-_73:HN      1:ASP-_73:HB*       1.800    4.000    4.000    1.000   30.000 1000.000    3.620  !  
1:GLN_44:HN       1:CYS_43:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.199  !  
1:ASP-_55:HN      1:ASP-_55:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.789  !  
1:CYS_13:HN       1:ASN_12:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.786  !  
1:PHE_9:HN        1:ASP-_6:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.469  !  
1:TYR_70:HN       1:CYS_66:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.403  !  
1:ASN_12:HN       1:ASN_12:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.604  !  
1:ASN_12:HD22     1:ASN_12:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.974  !  
1:ASN_12:HD21     1:ASN_12:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.100  !  
1:ASP-_6:HN       1:ASP-_6:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    2.497  !  
1:CYS_66:HN       1:CYS_66:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.824  !  
1:GLN_44:HN       1:GLN_44:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.179  !  
1:ASP-_74:HN      1:ASP-_74:HB*       1.800    3.000    3.000    1.000   30.000 1000.000    2.689  !  
1:GLY_75:HN       1:ASP-_74:HB*       1.800    4.000    4.000    1.000   30.000 1000.000    3.522  !  
1:ASP-_57:HN      1:ASP-_57:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.706  !  
1:ASP-_55:HN      1:ASP-_55:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.880  !  
1:ASP-_82:HN      1:ASP-_82:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    3.138  !  
1:ILE_36:HN       1:PRO_35:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.689  !  
1:ALA_34:HN       1:PHE_33:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.266  !  
1:PHE_33:HN       1:PHE_33:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.002  !  
1:GLN_22:HE22     1:GLN_22:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.674  !  
1:ALA_30:HN       1:CYS_29:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.773  !  
1:LEU_20:HN       1:TYR_25:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.222  !  
1:LEU_26:HN       1:TYR_25:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    2.897  !  
1:CYS_29:HN       1:CYS_29:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.702  !  
1:CYS_8:HN        1:TYR_25:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    3.911  !  
1:ASP-_80:HN      1:ASP-_80:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.435  !  
1:GLN_49:HN       1:GLN_49:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.805  !  
1:GLN_49:HE21     1:GLN_49:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.575  !  
1:GLN_22:HE21     1:GLN_22:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    5.203  !    
1:GLU-_14:HN      1:GLU-_14:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.627  !  
1:ALA_51:HN       1:GLN_49:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    4.195  !    
1:GLU-_31:HN      1:GLU-_31:HG*       1.800    4.000    4.000    1.000   30.000 1000.000    2.817  !  
1:CYS_43:HN       1:GLU-_14:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.290  !  
1:GLY_32:HN       1:GLU-_31:HG*       1.800    4.000    4.000    1.000   30.000 1000.000    3.182  !  
1:GLN_61:HE21     1:GLN_61:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.572  !  
1:ALA_54:HN       1:PRO_53:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.566  !  
1:GLU-_68:HN      1:GLU-_68:HG*       1.800    3.000    3.000    1.000   30.000 1000.000    2.845  !  
1:GLN_44:HN       1:GLN_44:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.086  !  
1:TYR_15:HN       1:GLU-_14:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.042  !  
1:GLN_44:HE21     1:GLN_44:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.088  !  
1:GLU-_65:HN      1:GLU-_65:HG*       1.800    4.000    4.000    1.000   30.000 1000.000    3.401  !  
1:CYS_29:HN       1:CYS_29:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.319  !  
1:HISD_41:HN      1:PRO_40:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.241  !    
1:GLN_18:HE21     1:GLN_18:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.542  !  
1:GLN_18:HE22     1:GLN_18:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.705  !  
1:GLN_44:HE22     1:GLN_44:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.487  !  
1:GLN_18:HN       1:GLN_18:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.970  !  
1:LEU_20:HN       1:PRO_19:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.369  !  
1:LEU_26:HN       1:GLN_18:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.641  !  
1:CYS_13:HN       1:CYS_13:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.836  !  
1:ASN_21:HN       1:PRO_19:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.641  !  
1:CYS_8:HN        1:PRO_7:HB*         1.800    4.000    4.000    1.000   30.000 1000.000    3.815  !  
1:VAL_28:HN       1:VAL_28:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.017  !  
1:SER_24:HN       1:GLN_22:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.872  !  
1:GLN_16:HN       1:VAL_28:HB         1.800    5.000    5.000    1.000   30.000 1000.000    4.064  !    
1:GLN_22:HN       1:GLN_22:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.659  !  
1:THR_23:HN       1:GLN_22:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.373  !  
1:CYS_29:HN       1:VAL_28:HB         1.800    3.000    3.000    1.000   30.000 1000.000    2.515  !  
1:MET_45:HN       1:GLN_44:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.003  !  
1:ALA_62:HN       1:GLN_61:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.861  !  
1:GLU-_39:HN      1:GLU-_39:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.130  !  
1:ASP-_6:HN       1:VAL_5:HB          1.800    4.000    4.000    1.000   30.000 1000.000    3.584  !  
1:GLU-_65:HN      1:GLU-_65:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.968  !  
1:GLU-_68:HN      1:GLU-_68:HB*       1.800    3.000    3.000    1.000   30.000 1000.000    2.438  !  
1:CYS_66:HN       1:GLU-_65:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.009  !  
1:VAL_5:HN        1:VAL_5:HB          1.800    3.000    3.000    1.000   30.000 1000.000    2.657  !  
1:HISD_41:HN      1:PRO_40:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.177  !  
1:GLN_18:HN       1:GLN_18:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.960  !  
1:ILE_36:HN       1:GLN_44:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.545  !  
1:GLU-_3:HN       1:GLU-_3:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.628  !  
1:ILE_71:HN       1:ILE_71:HB         1.800    3.000    3.000    1.000   30.000 1000.000    3.032  !  
1:GLU-_31:HN      1:GLU-_31:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.246  !  
1:GLY_32:HN       1:GLU-_31:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.003  !  
1:GLU-_14:HN      1:GLU-_14:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.871  !  
1:ALA_54:HN       1:PRO_53:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.301  !  
1:GLN_44:HN       1:GLN_44:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.257  !  
1:TYR_15:HN       1:GLU-_14:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.075  !  
1:GLN_44:HE21     1:GLN_44:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.028  !    
1:GLU-_65:HN      1:GLU-_65:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.733  !  
1:ASN_59:HN       1:PRO_58:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    3.111  !  
1:CYS_8:HN        1:PRO_7:HG*         1.800    4.000    4.000    1.000   30.000 1000.000    3.492  !  
1:ALA_11:HN       1:ARG+_10:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.733  !  
1:ARG+_42:HN      1:ARG+_42:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.294  !  
1:CYS_43:HN       1:ARG+_42:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.879  !  
1:ARG+_10:HN      1:ARG+_10:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.386  !  
1:GLU-_3:HN       1:GLU-_3:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.020  !  
1:CYS_78:HN       1:ILE_77:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.294  !  
1:ILE_77:HN       1:ILE_77:HB         1.800    3.000    3.000    1.000   30.000 1000.000    3.018  !  
1:GLU-_39:HN      1:GLU-_39:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.018  !  
1:VAL_5:HN        1:PRO_4:HG*         1.800    4.000    4.000    1.000   30.000 1000.000    3.840  !  
1:GLN_16:HE21     1:GLN_16:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.125  !  
1:GLN_16:HE22     1:GLN_16:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.263  !  
1:ILE_36:HN       1:ILE_36:HB         1.800    3.000    3.000    1.000   30.000 1000.000    2.746  !  
1:CYS_17:HN       1:GLN_16:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.646  !  
1:GLU-_68:HN      1:PRO_67:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.795  !  
1:GLU-_39:HN      1:GLU-_39:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.718  !  
1:VAL_28:HN       1:VAL_28:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.990  !  
1:GLN_16:HN       1:GLN_16:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.148  !  
1:GLN_18:HN       1:VAL_28:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.243  !    
1:CYS_27:HN       1:LEU_26:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    3.399  !  
1:LEU_26:HN       1:LEU_26:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.109  !  
1:LEU_72:HN       1:LEU_72:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.614  !  
1:MET_45:HN       1:MET_45:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.731  !  
1:PHE_46:HN       1:MET_45:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.482  !  
1:HISD_41:HN      1:GLU-_39:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.752  !  
1:ALA_11:HN       1:ARG+_10:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.315  !  
1:ARG+_42:HN      1:ARG+_42:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    2.963  !  
1:CYS_43:HN       1:ARG+_42:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.211  !  
1:CYS_17:HN       1:GLN_16:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.808  !  
1:ARG+_10:HN      1:ARG+_10:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.338  !  
1:GLN_18:HN       1:LEU_26:HG         1.800    4.000    4.000    1.000   30.000 1000.000    3.961  !  
1:CYS_27:HN       1:LEU_26:HG         1.800    3.000    3.000    1.000   30.000 1000.000    2.975  !  
1:LEU_26:HN       1:LEU_26:HG         1.800    3.000    3.000    1.000   30.000 1000.000    2.945  !  
1:ALA_62:HN       1:ALA_62:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.958  !  
1:SER_63:HN       1:ALA_62:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.528  !  
1:THR_50:HN       1:THR_50:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.400  !  
1:ASN_21:HN       1:LEU_20:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.288  !  
1:ILE_36:HN       1:ILE_36:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.268  !  
1:ALA_54:HN       1:ALA_54:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.777  !  
1:ALA_34:HN       1:ALA_34:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.553  !  
1:ASP-_55:HN      1:ALA_54:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    3.289  !  
1:GLN_44:HN       1:ILE_36:HG1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.084  !    
1:CYS_52:HN       1:ALA_51:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.852  !  
1:ALA_51:HN       1:ALA_51:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.429  !  
1:ARG+_10:HN      1:ARG+_10:HG2       1.800    5.000    5.000    1.000   30.000 1000.000    3.566  !  
1:ARG+_42:HN      1:ARG+_42:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.522  !  
1:CYS_43:HN       1:ARG+_42:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.627  !  
1:THR_60:HN       1:THR_60:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.583  !  
1:THR_23:HN       1:THR_23:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.435  !  
1:CYS_27:HN       1:LEU_26:HD2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.136  !  
1:CYS_29:HN       1:VAL_28:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.301  !  
1:CYS_43:HN       1:ARG+_42:HG2       1.800    4.000    4.000    1.000   30.000 1000.000    3.988  !  
1:ASP-_6:HN       1:VAL_5:HG*         1.800    5.000    5.000    1.000   30.000 1000.000    4.077  !    
1:ARG+_42:HN      1:ARG+_42:HG2       1.800    4.000    4.000    1.000   30.000 1000.000    3.308  !  
1:ILE_71:HN       1:ILE_71:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.468  !    
1:VAL_5:HN        1:VAL_5:HG*         1.800    4.000    4.000    1.000   30.000 1000.000    3.478  !  
1:HISD_41:HN      1:ARG+_42:HG2       1.800    5.000    5.000    1.000   30.000 1000.000    4.439  !    
1:GLN_18:HN       1:VAL_28:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.977  !  
1:ASP-_82:HN      1:ILE_81:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.728  !    
1:VAL_28:HN       1:VAL_28:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.362  !  
1:GLN_16:HN       1:VAL_28:HG1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.013  !    
1:GLN_18:HE21     1:VAL_28:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.943  !  
1:GLN_18:HE22     1:VAL_28:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.780  !  
1:LEU_72:HN       1:LEU_72:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.194  ! 
1:LEU_72:HN       1:LEU_72:HD2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.194  ! 
1:LEU_20:HN       1:LEU_20:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.236  !  
1:ILE_77:HN       1:ILE_77:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.994  !  
1:CYS_8:HN        1:ALA_11:HB*        1.800    5.500    5.500    1.000   30.000 1000.000    4.655  !    
1:GLY_75:HN       1:ILE_77:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.359  !    
1:ASP-_73:HN      1:ILE_77:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    4.166  !    
1:ALA_54:HN       1:ILE_77:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    4.236  !    
1:LEU_20:HN       1:LEU_20:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.913  !  
1:ALA_11:HN       1:ALA_11:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.639  !  
1:TYR_25:HN       1:LEU_20:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    4.630  !    
1:HISD_41:HN      1:HISD_41:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.818  !  
1:CYS_13:HN       1:ALA_11:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.189  !  
1:ASN_12:HN       1:ALA_11:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.696  !  
1:ASN_21:HN       1:LEU_20:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    4.017  !    
1:ARG+_42:HN      1:ILE_36:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.184  !    
1:GLN_44:HN       1:ILE_36:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.842  !  
1:CYS_43:HN       1:ILE_36:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.172  !    
1:GLN_44:HE21     1:ILE_36:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.178  !    
1:GLN_44:HE22     1:ILE_36:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.643  !    
1:ALA_30:HN       1:ALA_30:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.855  !  
1:GLU-_39:HN      1:ILE_36:HD1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.011  !  
1:GLU-_31:HN      1:ALA_30:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    2.847  !  
1:TYR_15:HN       1:GLN_16:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.102  !  
1:GLY_32:HN       1:GLY_32:HA2        1.800    3.000    3.000    1.000   30.000 1000.000    2.611  !  
1:CYS_17:HN       1:VAL_28:HG1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.041  !    
1:CYS_8:HN        1:PRO_7:HD*         1.800    4.000    4.000    1.000   30.000 1000.000    3.401  !  
1:ASP-_82:HN      1:ASP-_82:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.874  !  
1:ASP-_82:HN      1:ASP-_82:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.217  !  
1:ASP-_74:HN      1:ASP-_73:HB*       1.800    3.000    3.000    1.000   30.000 1000.000    2.909  !  
1:ALA_51:HN       1:ALA_51:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.873  !  
1:ARG+_42:HN      1:HISD_41:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.689  !  
1:ARG+_42:HN      1:HISD_41:HB1       1.800    5.000    5.000    1.000   30.000 1000.000    4.263  !    
1:ILE_71:HN       1:ILE_71:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.815  !  
1:PHE_33:HN       1:PHE_46:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.914  !  
1:CYS_66:HN       1:CYS_66:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.989  !  
1:PHE_33:HN       1:CYS_29:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.899  !  
1:PHE_46:HN       1:PHE_46:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.089  !  
1:MET_45:HN       1:MET_45:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.386  !  
1:MET_45:HN       1:PHE_33:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    4.054  !    
1:MET_45:HN       1:PHE_33:HE*        1.800    4.000    4.000    1.000   30.000 1000.000    4.223  !    
1:CYS_17:HN       1:CYS_13:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.097  !    
1:CYS_17:HN       1:GLN_16:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.287  !    
1:CYS_17:HN       1:GLN_18:HN         1.800    5.000    5.000    1.000   30.000 1000.000    5.070  !    
1:GLN_16:HN       1:TYR_15:HE*        1.800    5.000    5.000    1.000   30.000 1000.000    4.671  !    
1:CYS_13:HN       1:CYS_13:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.851  !  
1:ARG+_10:HN      1:PHE_9:HB1         1.800    4.000    4.000    1.000   30.000 1000.000    3.790  !  
1:LEU_26:HN       1:TYR_25:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.628  !    
1:LEU_26:HN       1:CYS_27:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.059  !    
1:CYS_29:HN       1:VAL_28:HG1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.230  !    
1:ALA_34:HN       1:PHE_33:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.191  !    
1:PHE_76:HN       1:ILE_77:HA         1.800    3.000    3.000    1.000   30.000 1000.000    3.095  !  
1:PHE_76:HN       1:ILE_77:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    3.849  !  
1:CYS_43:HN       1:CYS_43:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.015  !  
1:THR_23:HN       1:ASN_21:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.528  !  
1:ASP-_80:HN      1:ALA_51:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    5.164  !    
1:GLN_61:HE22     1:GLN_61:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    4.022  !    
1:GLN_49:HE22     1:GLN_49:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.548  !    
1:GLN_22:HN       1:GLN_22:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.472  !    
1:GLY_69:HN       1:GLU-_68:HB*       1.800    4.000    4.000    1.000   30.000 1000.000    3.960  !  
1:ASN_21:HN       1:ASN_21:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    7.840  !    
1:ASN_21:HN       1:ASN_21:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.863  !  
1:ASN_48:HN       1:ASN_48:HA         1.800    3.000    3.000    1.000   30.000 1000.000    1.941  !  
1:GLN_49:HN       1:GLN_49:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.666  !  
1:GLN_49:HN       1:GLN_49:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.620  !    
1:CYS_52:HN       1:CYS_52:HA         1.800    3.000    3.000    1.000   30.000 1000.000    3.158  !  
1:CYS_52:HN       1:CYS_52:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.586  !  
1:CYS_52:HN       1:CYS_52:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.479  !  
1:ILE_36:HN       1:ARG+_42:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.678  !  
1:SER_24:HN       1:LEU_20:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.033  !    
1:LEU_26:HN       1:LEU_26:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.109  !  
1:LEU_26:HN       1:LEU_26:HD1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.762  !  
1:TYR_15:HN       1:GLU-_14:HG*       1.800    4.000    4.000    1.000   30.000 1000.000    3.721  !  
1:GLU-_14:HN      1:GLU-_14:HG*       1.800    4.000    4.000    1.000   30.000 1000.000    3.447  !  
1:CYS_27:HN       1:LEU_26:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.250  !    
1:CYS_27:HN       1:LEU_26:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.017  !  
1:CYS_78:HN       1:CYS_47:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.275  !    
1:CYS_78:HN       1:CYS_78:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.361  !  
1:CYS_78:HN       1:ILE_77:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.600  !  
1:CYS_8:HN        1:ASP-_6:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.105  !    
1:GLU-_3:HN       1:GLU-_3:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.218  !    
1:GLU-_3:HN       1:GLU-_3:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.531  !  
1:CYS_66:HN       1:GLU-_65:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.161  !  
1:ASP-_57:HN      1:CYS_56:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.791  !  
1:ASN_59:HN       1:ASN_59:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.367  !  
1:ALA_54:HN       1:ALA_54:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.396  !  
1:LEU_72:HN       1:ASP-_73:HN        1.800    5.000    5.000    1.000   30.000 1000.000    4.321  !    
1:ASP-_55:HN      1:CYS_56:HN         1.800    3.000    3.000    1.000   30.000 1000.000    2.743  !  
1:GLU-_31:HN      1:GLU-_31:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.166  !  
1:ASP-_6:HN       1:PHE_9:HN          1.800    4.000    4.000    1.000   30.000 1000.000    3.988  !  
1:ASP-_6:HN       1:ASP-_6:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    2.533  !  
1:ILE_81:HN       1:ILE_81:HA         1.800    5.000    5.000    1.000   30.000 1000.000    5.028  !    
1:VAL_5:HN        1:PRO_4:HB*         1.800    4.000    4.000    1.000   30.000 1000.000    3.801  !  
1:GL-C_83:HN      1:GL-C_83:HA        1.800    5.000    5.000    1.000   30.000 1000.000    5.544  !    
1:GL-C_83:HN      1:GL-C_83:HB*       1.800    5.000    5.000    1.000   30.000 1000.000    4.209  !    
1:ALA_30:HN       1:ALA_30:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.729  !  
1:GLU-_39:HN      1:HISD_38:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.527  !  
1:CYS_47:HN       1:PHE_46:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.307  !  
1:GLN_61:HN       1:THR_60:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    5.260  !    
1:GLN_61:HN       1:GLN_61:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.784  !  
1:GLN_61:HN       1:GLN_61:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.953  !  
1:TYR_25:HN       1:TYR_25:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.187  !    
1:TYR_70:HN       1:TYR_70:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.511  !  
1:TYR_70:HN       1:TYR_70:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.873  !  
1:TYR_70:HN       1:GLY_69:HA1        1.800    4.000    4.000    1.000   30.000 1000.000    3.373  !  
1:GLN_22:HN       1:ASN_21:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.903  !  
1:GLN_22:HN       1:THR_23:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.196  !    
1:LEU_20:HN       1:PRO_19:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.206  !    
1:PHE_46:HN       1:ALA_34:HN         1.800    4.000    4.000    1.000   30.000 1000.000    4.287  !    
1:PHE_46:HN       1:PHE_46:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.602  !  
1:GLY_69:HN       1:GLY_69:HA2        1.800    3.000    3.000    1.000   30.000 1000.000    2.580  !  
1:ASP-_73:HN      1:ASP-_73:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.901  !  
1:CYS_8:HN        1:ASP-_6:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.172  !    
1:PHE_9:HN        1:CYS_8:HB1         1.800    4.000    4.000    1.000   30.000 1000.000    3.153  !  
1:PHE_9:HN        1:CYS_8:HB2         1.800    4.000    4.000    1.000   30.000 1000.000    3.484  !  
1:GLN_16:HN       1:GLN_16:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.426  !  
1:CYS_17:HN       1:GLN_16:HG*        1.800    3.000    3.000    1.000   30.000 1000.000    2.985  !  
1:LEU_20:HN       1:TYR_25:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.444  !    
1:ASN_21:HN       1:LEU_20:HG         1.800    3.000    3.000    1.000   30.000 1000.000    2.972  !  
1:GLN_18:HN       1:CYS_17:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.433  !  
1:THR_23:HN       1:GLN_22:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.439  !    
1:CYS_29:HN       1:TYR_15:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    5.530  !    
1:GLY_32:HN       1:GLU-_31:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.046  !  
1:CYS_66:HN       1:GLU-_65:HG*       1.800    4.000    4.000    1.000   30.000 1000.000    3.972  !  
1:ALA_34:HN       1:CYS_43:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.406  !    
1:ALA_51:HN       1:CYS_52:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.679  !    
1:ALA_51:HN       1:GLN_49:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.855  !    
1:CYS_52:HN       1:ASP-_80:HN        1.800    4.000    4.000    1.000   30.000 1000.000    4.071  !    
1:CYS_56:HN       1:ASP-_55:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.187  !  
1:ASP-_57:HN      1:CYS_56:HN         1.800    5.000    5.000    1.000   30.000 1000.000    4.340  !    
1:THR_60:HN       1:ASN_59:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.459  !  
1:ALA_62:HN       1:GLN_61:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.729  !  
1:CYS_66:HN       1:GLU-_65:HN        1.800    3.000    3.000    1.000   30.000 1000.000    2.896  !  
1:GLU-_68:HN      1:TYR_70:HN         1.800    4.000    4.000    1.000   30.000 1000.000    3.571  !  
1:GLY_69:HN       1:GLU-_68:HG*       1.800    5.000    5.000    1.000   30.000 1000.000    4.514  !    
1:ASP-_74:HN      1:PHE_76:HN         1.800    5.000    5.000    1.000   30.000 1000.000    3.695  !  
1:ASP-_74:HN      1:ILE_77:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    5.102  !    
1:SER_24:HN       1:LEU_20:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    5.092  !    
1:ASP-_82:HN      1:ILE_81:HN         1.800    4.000    4.000    1.000   30.000 1000.000    4.151  !    
1:ASP-_82:HN      1:GL-C_83:HN        1.800    5.000    5.000    1.000   30.000 1000.000    4.588  !    
1:PHE_9:HN        1:ASP-_6:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.522  !  
1:GLN_18:HE21     1:VAL_28:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.120  !    
1:LEU_26:HN       1:GLN_18:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.287  !    
1:GLN_18:HN       1:TYR_25:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.125  !    
1:THR_50:HN       1:THR_50:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.742  !  
1:ARG+_10:HN      1:ARG+_10:HG1       1.800    5.000    5.000    1.000   30.000 1000.000    3.895  !  
1:MET_45:HN       1:GLN_44:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.666  !      
1:GLU-_39:HN      1:GLU-_39:HG2       1.800    4.000    4.000    1.000   30.000 1000.000    3.225  !  
1:PHE_76:HD*      1:PHE_76:HE*        1.800    3.000    3.000    1.000   30.000 1000.000    2.888  ! 
1:PHE_33:HD*      1:PHE_33:HE*        1.800    3.000    3.000    1.000   30.000 1000.000    2.640  ! 
1:PHE_46:HD*      1:PHE_46:HE*        1.800    3.000    3.000    1.000   30.000 1000.000    2.835  ! 
1:TYR_70:HE*      1:TYR_70:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.172  ! 
1:TYR_15:HE*      1:TYR_15:HD*        1.800    3.000    3.000    1.000   30.000 1000.000    2.759  ! 
1:TYR_25:HD*      1:TYR_25:HE*        1.800    3.000    3.000    1.000   30.000 1000.000    2.705  ! 
1:PHE_33:HZ       1:PHE_33:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.231  ! 
1:CYS_17:HA       1:CYS_27:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.687  ! 
1:CYS_27:HB1      1:CYS_27:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.872  ! 
1:PHE_33:HA       1:CYS_43:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.355  ! 
1:CYS_43:HB2      1:CYS_43:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.019  ! 
1:THR_23:HB       1:TYR_25:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.893  ! 
1:LEU_20:HB*      1:TYR_25:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.666  ! 
1:LEU_20:HD*      1:TYR_25:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.811  !   
1:TYR_25:HD*      1:TYR_25:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.227  ! 
1:TYR_25:HB1      1:TYR_25:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.843  ! 
1:TYR_25:HB2      1:TYR_25:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.879  ! 
1:CYS_17:HB*      1:CYS_17:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.909  ! 
1:GLN_18:HG*      1:GLN_18:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.243  ! 
1:GLN_18:HB2      1:GLN_18:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.026  ! 
1:MET_45:HG*      1:CYS_78:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.867  ! 
1:GLN_18:HB1      1:GLN_18:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.973  ! 
1:PRO_35:HB*      1:PRO_35:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.449  ! 
1:PRO_35:HG*      1:PRO_35:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.387  ! 
1:PHE_33:HD*      1:PHE_33:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.642  ! 
1:CYS_52:HB2      1:CYS_52:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.873  ! 
1:GLN_44:HB1      1:GLN_44:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.034  ! 
1:GLN_44:HB2      1:GLN_44:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.872  ! 
1:TYR_25:HD*      1:SER_24:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.636  ! 
1:SER_24:HB2      1:SER_24:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.891  ! 
1:ASP-_6:HB1      1:ASP-_6:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.305  ! 
1:ASP-_6:HB2      1:ASP-_6:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.811  ! 
1:ALA_34:HB*      1:ALA_34:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.340  ! 
1:TYR_15:HD*      1:TYR_15:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.757  ! 
1:TYR_15:HE*      1:TYR_15:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.503  ! 
1:CYS_29:HB2      1:CYS_29:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.944  ! 
1:TYR_15:HB2      1:TYR_15:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.592  ! 
1:CYS_29:HB1      1:CYS_29:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.212  ! 
1:HISD_41:HB2     1:HISD_41:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.964  ! 
1:CYS_27:HB1      1:HISD_41:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.901  ! 
1:HISD_38:HB1     1:GLU-_39:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.336  ! 
1:GLU-_3:HB2      1:GLU-_3:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.453  ! 
1:PRO_4:HD1       1:GLU-_3:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.166  ! 
1:ASN_21:HB2      1:ASN_21:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.912  ! 
1:ASN_21:HB1      1:ASN_21:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.811  ! 
1:LEU_72:HB2      1:LEU_72:HA         1.800    3.000    3.000    1.000   30.000 1000.000    3.015  ! 
1:LEU_20:HG       1:LEU_20:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.113  ! 
1:LEU_20:HB*      1:LEU_20:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.540  ! 
1:LEU_72:HD1*     1:LEU_72:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.093  ! 
1:LEU_20:HD*      1:LEU_20:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.374  !   
1:THR_60:HG2*     1:THR_60:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.412  ! 
1:GLN_49:HG*      1:GLN_49:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.339  ! 
1:GLN_49:HB*      1:GLN_49:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.932  ! 
1:CYS_13:HB1      1:GLN_16:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.750  ! 
1:GLN_16:HG*      1:GLN_16:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.820  ! 
1:GLN_16:HB1      1:GLN_16:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.609  ! 
1:GLN_16:HB2      1:GLN_16:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.650  ! 
1:PRO_7:HB*       1:PRO_7:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.976  ! 
1:PRO_7:HG*       1:PRO_7:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.130  ! 
1:ILE_77:HG11     1:ILE_77:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.782  ! 
1:ALA_54:HB*      1:ALA_54:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.325  ! 
1:ILE_77:HG2*     1:ILE_77:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.626  ! 
1:PHE_9:HD*       1:PHE_9:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.997  ! 
1:PHE_9:HB1       1:PHE_9:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.558  ! 
1:PHE_9:HB2       1:PHE_9:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.588  ! 
1:ASP-_74:HB*     1:ASP-_74:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.130  ! 
1:THR_60:HA       1:THR_60:HB         1.800    3.000    3.000    1.000   30.000 1000.000    2.644  ! 
1:THR_60:HG2*     1:THR_60:HB         1.800    3.000    3.000    1.000   30.000 1000.000    2.937  ! 
1:GLY_32:HA1      1:GLY_32:HA2        1.800    3.000    3.000    1.000   30.000 1000.000    2.509  ! 
1:GLN_61:HG*      1:GLN_61:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.557  ! 
1:PRO_4:HB*       1:PRO_4:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.030  ! 
1:GLN_61:HB*      1:GLN_61:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.569  ! 
1:PRO_4:HG*       1:PRO_4:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.554  ! 
1:GLN_22:HG*      1:GLN_22:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.070  ! 
1:GLN_22:HB*      1:GLN_22:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.592  ! 
1:GLY_69:HA1      1:GLY_69:HA2        1.800    3.000    3.000    1.000   30.000 1000.000    2.988  ! 
1:GLU-_31:HG*     1:GLU-_31:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.011  ! 
1:GLU-_31:HB1     1:GLU-_31:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.384  ! 
1:GLU-_31:HB2     1:GLU-_31:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.464  ! 
1:GLU-_68:HG*     1:GLU-_68:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.836  ! 
1:PHE_76:HD*      1:PHE_76:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.714  ! 
1:PHE_76:HB*      1:PHE_76:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.433  ! 
1:ARG+_10:HD*     1:ARG+_10:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.603  ! 
1:GLU-_68:HB*     1:GLU-_68:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.682  ! 
1:ARG+_10:HB1     1:ARG+_10:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.624  ! 
1:ARG+_10:HG1     1:ARG+_10:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.578  ! 
1:ARG+_10:HG2     1:ARG+_10:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.100  ! 
1:TYR_25:HD*      1:CYS_8:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.766  ! 
1:CYS_8:HB1       1:CYS_8:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.912  ! 
1:CYS_8:HB2       1:CYS_8:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.906  ! 
1:CYS_17:HB*      1:CYS_8:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.552  ! 
1:VAL_5:HB        1:VAL_5:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.934  ! 
1:VAL_5:HG*       1:VAL_5:HA          1.800    4.000    4.000    1.000   30.000 1000.000    3.562  ! 
1:ALA_11:HB*      1:CYS_8:HA          1.800    3.000    3.000    1.000   30.000 1000.000    2.929  ! 
1:ASP-_80:HB1     1:ASP-_80:HA        1.800    3.000    3.000    1.000   30.000 1000.000    3.011  ! 
1:ILE_36:HB       1:ILE_36:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.242  ! 
1:ILE_36:HG2*     1:ILE_36:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.454  ! 
1:ILE_36:HD1*     1:ILE_36:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.548  ! 
1:GLU-_14:HG*     1:GLU-_14:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.285  ! 
1:GLU-_14:HB2     1:GLU-_14:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.572  ! 
1:GLU-_14:HB1     1:GLU-_14:HA        1.800    3.000    3.000    1.000   30.000 1000.000    2.655  ! 
1:CYS_64:HA       1:SER_63:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.285  ! 
1:SER_63:HA       1:SER_63:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.729  ! 
1:ASP-_57:HB1     1:SER_63:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.319  ! 
1:TYR_25:HE*      1:ALA_11:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.429  ! 
1:ASP-_57:HA      1:SER_63:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.639  ! 
1:ALA_11:HB*      1:ALA_11:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.782  ! 
1:PRO_7:HG*       1:PRO_7:HD*         1.800    3.000    3.000    1.000   30.000 1000.000    2.985  ! 
1:PRO_7:HB*       1:PRO_7:HD*         1.800    4.000    4.000    1.000   30.000 1000.000    3.894  ! 
1:ALA_34:HB*      1:PRO_35:HD2        1.800    4.000    4.000    1.000   30.000 1000.000    3.469  ! 
1:PRO_40:HG*      1:PRO_40:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.355  ! 
1:CYS_27:HA       1:CYS_27:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.936  ! 
1:CYS_27:HB1      1:CYS_27:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.579  ! 
1:SER_24:HA       1:SER_24:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.533  ! 
1:GLU-_3:HA       1:PRO_4:HD2         1.800    3.000    3.000    1.000   30.000 1000.000    2.655  ! 
1:LEU_20:HB*      1:SER_24:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.300  ! 
1:TYR_15:HE*      1:ALA_30:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.962  ! 
1:LEU_20:HD*      1:SER_24:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.628  ! 
1:ALA_30:HB*      1:ALA_30:HA         1.800    3.000    3.000    1.000   30.000 1000.000    2.828  ! 
1:TYR_15:HD*      1:TYR_15:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.886  ! 
1:TYR_15:HB2      1:TYR_15:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.375  ! 
1:CYS_13:HB1      1:CYS_13:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.639  ! 
1:ALA_34:HB*      1:PRO_35:HD1        1.800    4.000    4.000    1.000   30.000 1000.000    3.285  ! 
1:LEU_20:HD*      1:SER_24:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.251  !   
1:PHE_33:HD*      1:MET_45:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.707  ! 
1:MET_45:HB*      1:MET_45:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.347  ! 
1:HISD_38:HB2     1:HISD_38:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.412  ! 
1:HISD_41:HD2     1:HISD_41:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.461  ! 
1:HISD_41:HB2     1:HISD_41:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.631  ! 
1:ASN_21:HB1      1:ASN_21:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.809  ! 
1:PHE_9:HD*       1:PHE_9:HB1         1.800    4.000    4.000    1.000   30.000 1000.000    3.065  ! 
1:PHE_9:HB2       1:PHE_9:HB1         1.800    3.000    3.000    1.000   30.000 1000.000    2.160  ! 
1:ASP-_6:HB1      1:PHE_9:HB1         1.800    4.000    4.000    1.000   30.000 1000.000    3.486  ! 
1:PHE_33:HD*      1:PHE_33:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.328  ! 
1:PHE_33:HA       1:PHE_33:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.461  ! 
1:CYS_47:HB*      1:CYS_52:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.443  ! 
1:PHE_33:HB2      1:PHE_33:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.432  ! 
1:PHE_76:HD*      1:PHE_76:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.275  ! 
1:ARG+_42:HB1     1:ARG+_42:HD1       1.800    3.000    3.000    1.000   30.000 1000.000    2.784  ! 
1:ARG+_42:HG1     1:ARG+_42:HD1       1.800    4.000    4.000    1.000   30.000 1000.000    3.232  ! 
1:ARG+_42:HG2     1:ARG+_42:HD1       1.800    4.000    4.000    1.000   30.000 1000.000    3.069  ! 
1:HISD_41:HD2     1:HISD_41:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.320  ! 
1:TYR_25:HE*      1:TYR_25:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.499  ! 
1:TYR_25:HD*      1:TYR_25:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.887  ! 
1:PHE_9:HE*       1:PHE_9:HB2         1.800    4.000    4.000    1.000   30.000 1000.000    3.631  ! 
1:PHE_9:HD*       1:PHE_9:HB2         1.800    3.000    3.000    1.000   30.000 1000.000    2.867  ! 
1:ARG+_10:HB2     1:ARG+_10:HD*       1.800    3.000    3.000    1.000   30.000 1000.000    2.868  ! 
1:ARG+_10:HB1     1:ARG+_10:HD*       1.800    4.000    4.000    1.000   30.000 1000.000    3.173  ! 
1:ARG+_10:HG1     1:ARG+_10:HD*       1.800    3.000    3.000    1.000   30.000 1000.000    2.828  ! 
1:ARG+_10:HG2     1:ARG+_10:HD*       1.800    4.000    4.000    1.000   30.000 1000.000    3.042  ! 
1:CYS_56:HB1      1:CYS_56:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.216  ! 
1:TYR_15:HD*      1:TYR_15:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.042  ! 
1:TYR_15:HE*      1:TYR_15:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.700  ! 
1:LEU_72:HD1*     1:CYS_64:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.999  ! 
1:PHE_33:HD*      1:CYS_43:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.409  ! 
1:CYS_43:HA       1:CYS_43:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.900  ! 
1:CYS_8:HB1       1:CYS_8:HB2         1.800    3.000    3.000    1.000   30.000 1000.000    2.321  ! 
1:ALA_11:HB*      1:CYS_8:HB2         1.800    5.000    5.000    1.000   30.000 1000.000    4.127  !   
1:CYS_13:HA       1:CYS_27:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.969  ! 
1:ALA_11:HB*      1:CYS_17:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.392  !   
1:ASN_59:HB2      1:ASN_59:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.268  ! 
1:PHE_46:HD*      1:PHE_46:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.363  ! 
1:PHE_46:HA       1:PHE_46:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.145  ! 
1:LEU_72:HA       1:ASP-_73:HB*       1.800    4.000    4.000    1.000   30.000 1000.000    3.720  ! 
1:ALA_34:HB*      1:PHE_46:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.925  ! 
1:PHE_33:HD*      1:CYS_43:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.443  ! 
1:PHE_46:HA       1:PHE_46:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.954  ! 
1:PHE_9:HB2       1:ASP-_6:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.834  ! 
1:PHE_33:HD*      1:PHE_33:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.429  ! 
1:PRO_35:HG*      1:PRO_35:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.315  ! 
1:GLN_22:HB*      1:GLN_22:HG*        1.800    3.000    3.000    1.000   30.000 1000.000    2.794  ! 
1:TYR_25:HE*      1:TYR_25:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.796  ! 
1:TYR_25:HD*      1:TYR_25:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.909  ! 
1:TYR_25:HB1      1:TYR_25:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.928  ! 
1:CYS_29:HB2      1:CYS_29:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.727  ! 
1:PRO_19:HA       1:TYR_25:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.083  ! 
1:CYS_52:HB2      1:ASP-_80:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.822  ! 
1:ASP-_80:HB2     1:ASP-_80:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.837  ! 
1:GLU-_14:HG*     1:GLU-_14:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.387  ! 
1:ALA_62:HA       1:GLN_61:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.587  ! 
1:GLU-_3:HB2      1:GLU-_3:HG*        1.800    3.000    3.000    1.000   30.000 1000.000    2.404  ! 
1:GLU-_3:HA       1:GLU-_3:HG*        1.800    3.000    3.000    1.000   30.000 1000.000    2.966  ! 
1:ILE_81:HG2*     1:ILE_81:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.647  ! 
1:ILE_36:HG2*     1:GLN_44:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.116  !   
1:TYR_25:HA       1:GLN_18:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.688  ! 
1:GLU-_3:HB1      1:GLU-_3:HG*        1.800    3.000    3.000    1.000   30.000 1000.000    2.498  ! 
1:MET_2:HB1       1:GLU-_3:HG*        1.800    3.000    3.000    1.000   30.000 1000.000    2.920  ! 
1:TYR_25:HD*      1:PRO_19:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.790  ! 
1:PRO_19:HA       1:PRO_19:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.902  ! 
1:GLN_18:HB1      1:GLN_18:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    1.818  ! 
1:PRO_7:HG*       1:PRO_7:HB*         1.800    3.000    3.000    1.000   30.000 1000.000    2.391  ! 
1:ILE_36:HG1*     1:PRO_37:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.510  ! 
1:VAL_28:HG2*     1:VAL_28:HB         1.800    3.000    3.000    1.000   30.000 1000.000    2.881  ! 
1:VAL_28:HG1*     1:VAL_28:HB         1.800    3.000    3.000    1.000   30.000 1000.000    2.916  ! 
1:GLU-_39:HA      1:GLU-_39:HG2       1.800    4.000    4.000    1.000   30.000 1000.000    3.131  ! 
1:ILE_36:HD1*     1:GLN_44:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.864  ! 
1:ILE_36:HG2*     1:GLN_44:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.409  ! 
1:PRO_40:HA       1:PRO_40:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.023  ! 
1:VAL_5:HG*       1:VAL_5:HB          1.800    4.000    4.000    1.000   30.000 1000.000    3.297  ! 
1:PHE_33:HE*      1:MET_45:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.584  ! 
1:MET_45:HA       1:MET_45:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.523  ! 
1:MET_45:HB*      1:MET_45:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.119  ! 
1:ARG+_10:HG2     1:GLU-_3:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.220  ! 
1:GLU-_3:HB1      1:GLU-_3:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    1.862  ! 
1:PRO_67:HB2      1:PRO_67:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.360  ! 
1:PRO_67:HG*      1:PRO_67:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.519  ! 
1:ILE_36:HG2*     1:GLN_44:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.124  ! 
1:GLU-_65:HA      1:GLU-_65:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.694  ! 
1:ASP-_80:HA      1:PRO_53:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.325  ! 
1:PHE_33:HE*      1:MET_45:HE*        1.800    5.000    5.000    1.000   30.000 1000.000    4.055  !   
1:ARG+_10:HA      1:ARG+_10:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.390  ! 
1:ARG+_10:HG2     1:ARG+_10:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.673  ! 
1:ARG+_10:HB1     1:ARG+_10:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    1.954  ! 
1:ARG+_10:HG1     1:ARG+_10:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.569  ! 
1:TYR_15:HD*      1:GLN_16:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.414  !   
1:ILE_77:HG2*     1:ILE_77:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.108  ! 
1:TYR_25:HD*      1:PRO_19:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.727  ! 
1:TYR_25:HB2      1:PRO_19:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.377  ! 
1:CYS_13:HB1      1:GLN_16:HG*        1.800    3.000    3.000    1.000   30.000 1000.000    2.669  ! 
1:PRO_4:HB*       1:PRO_4:HG*         1.800    3.000    3.000    1.000   30.000 1000.000    2.657  ! 
1:ILE_36:HG2*     1:ILE_36:HB         1.800    3.000    3.000    1.000   30.000 1000.000    2.978  ! 
1:ILE_36:HD1*     1:ILE_36:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.142  ! 
1:HISD_41:HE1     1:GLU-_39:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.143  ! 
1:TYR_15:HD*      1:GLN_16:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.409  ! 
1:TYR_15:HE*      1:GLN_16:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.744  ! 
1:GLU-_39:HA      1:GLU-_39:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.940  ! 
1:GLU-_39:HB1     1:GLU-_39:HB2       1.800    3.000    3.000    1.000   30.000 1000.000    2.076  ! 
1:GLN_16:HB2      1:GLN_16:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.130  ! 
1:VAL_28:HG1*     1:GLN_16:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.203  ! 
1:GLU-_3:HA       1:GLU-_3:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.494  ! 
1:LEU_72:HD1*     1:LEU_72:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.526  ! 
1:LEU_26:HD2*     1:LEU_26:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.251  ! 
1:GLU-_65:HG*     1:MET_45:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.960  ! 
1:GLU-_39:HA      1:GLU-_39:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.215  ! 
1:GLU-_39:HG1     1:GLU-_39:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.973  ! 
1:ILE_36:HD1*     1:ARG+_42:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.510  ! 
1:PHE_33:HE*      1:MET_45:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.937  ! 
1:ARG+_10:HG1     1:ARG+_10:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.641  ! 
1:ARG+_10:HG2     1:ARG+_10:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.860  ! 
1:TYR_15:HD*      1:GLN_16:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.978  ! 
1:TYR_15:HE*      1:GLN_16:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.151  ! 
1:VAL_28:HB       1:GLN_16:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.184  ! 
1:LEU_26:HD2*     1:LEU_26:HG         1.800    3.000    3.000    1.000   30.000 1000.000    2.997  ! 
1:LEU_26:HD1*     1:LEU_26:HG         1.800    3.000    3.000    1.000   30.000 1000.000    2.842  ! 
1:LEU_26:HD2*     1:LEU_26:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.223  ! 
1:LEU_26:HD1*     1:LEU_26:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.888  ! 
1:TYR_25:HA       1:LEU_26:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.922  ! 
1:LEU_72:HD1*     1:LEU_72:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.446  ! 
1:LEU_72:HD2*     1:LEU_72:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.753  ! 
1:ILE_36:HB       1:ILE_36:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.507  ! 
1:ILE_36:HD1*     1:ILE_36:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.973  ! 
1:PHE_46:HE*      1:ALA_34:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.554  !   
1:PHE_46:HD*      1:ALA_34:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.186  !   
1:SER_24:HB2      1:LEU_20:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.557  ! 
1:ALA_51:HA       1:ALA_51:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.483  ! 
1:CYS_64:HB*      1:ALA_54:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.302  !   
1:ARG+_42:HG2     1:ARG+_42:HG1       1.800    3.000    3.000    1.000   30.000 1000.000    2.748  ! 
1:ASP-_57:HB2     1:THR_60:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.186  !   
1:TYR_15:HD*      1:VAL_28:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.414  !   
1:LEU_26:HA       1:LEU_26:HD2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.653  ! 
1:PHE_9:HD*       1:VAL_5:HG*         1.800    5.000    5.000    1.000   30.000 1000.000    5.230  !   
1:PHE_9:HB2       1:VAL_5:HG*         1.800    5.000    5.000    1.000   30.000 1000.000    4.472  !   
1:TYR_15:HD*      1:VAL_28:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.788  ! 
1:TYR_15:HE*      1:VAL_28:HG1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.132  !   
1:CYS_17:HA       1:VAL_28:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.824  ! 
1:GLN_16:HA       1:VAL_28:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.952  ! 
1:PHE_76:HD*      1:LEU_72:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.550  !   
1:TYR_25:HE*      1:ALA_11:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.496  ! 
1:TYR_25:HD*      1:ALA_11:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.694  ! 
1:CYS_8:HB1       1:ALA_11:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.083  !   
1:LEU_20:HB*      1:LEU_20:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.287  !   
1:SER_24:HA       1:LEU_20:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    4.564  !   
1:ARG+_42:HD2     1:ILE_36:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.900  ! 
1:PRO_37:HB1      1:ILE_36:HD1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.872  ! 
1:PHE_33:HE*      1:ALA_30:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.532  !   
1:TYR_15:HD*      1:ALA_30:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.242  !   
1:PHE_33:HD*      1:ALA_30:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.842  ! 
1:TYR_15:HE*      1:ALA_30:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.659  ! 
1:PHE_33:HB1      1:CYS_43:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.258  ! 
1:CYS_13:HB1      1:CYS_17:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    3.816  ! 
1:ARG+_42:HD1     1:ARG+_42:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.473  ! 
1:ILE_77:HB       1:ILE_77:HG11       1.800    3.000    3.000    1.000   30.000 1000.000    2.555  ! 
1:ARG+_42:HB1     1:ARG+_42:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.085  ! 
1:ASP-_82:HB1     1:ILE_81:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.166  !   
1:ILE_36:HG1*     1:ILE_36:HG2*       1.800    3.000    3.000    1.000   30.000 1000.000    2.973  ! 
1:ILE_36:HD1*     1:GLN_44:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.977  ! 
1:LEU_72:HD2*     1:LEU_72:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.045  ! 
1:PRO_67:HG*      1:GLU-_68:HG*       1.800    5.000    5.000    1.000   30.000 1000.000    4.297  !   
1:ALA_34:HB*      1:PHE_46:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.350  !   
1:THR_60:HG2*     1:ASN_59:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.869  !   
1:LEU_26:HD1*     1:LEU_26:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.282  ! 
1:LEU_26:HB1      1:GLN_18:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.362  ! 
1:ILE_36:HG2*     1:ARG+_42:HD1       1.800    5.000    5.000    1.000   30.000 1000.000    4.611  !   
1:GLU-_39:HB2     1:ARG+_42:HD1       1.800    4.000    4.000    1.000   30.000 1000.000    3.393  ! 
1:LEU_20:HG       1:SER_24:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.403  ! 
1:PRO_67:HA       1:PRO_67:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    3.089  ! 
1:GLU-_65:HA      1:GLU-_65:HG*       1.800    3.000    3.000    1.000   30.000 1000.000    3.064  ! 
1:PRO_40:HA       1:PRO_40:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.375  ! 
1:PRO_4:HA        1:VAL_5:HG*         1.800    5.000    5.000    1.000   30.000 1000.000    4.722  !   
1:CYS_27:HA       1:VAL_28:HG1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.109  !   
1:CYS_27:HA       1:LEU_26:HD2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.286  !   
1:LEU_26:HA       1:LEU_26:HG         1.800    4.000    4.000    1.000   30.000 1000.000    3.611  ! 
1:LEU_26:HA       1:LEU_26:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.469  ! 
1:LEU_26:HA       1:LEU_26:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.549  ! 
1:LEU_26:HA       1:LEU_26:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.385  !   
1:PHE_33:HA       1:MET_45:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.867  ! 
1:CYS_47:HA       1:MET_45:HE*        1.800    4.000    4.000    1.000   30.000 1000.000    3.980  ! 
1:TYR_15:HE*      1:VAL_28:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.974  !   
1:TYR_15:HE*      1:GLN_16:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.859  !   
1:CYS_52:HA       1:CYS_52:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.912  ! 
1:GLN_44:HA       1:GLN_44:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.617  ! 
1:CYS_13:HA       1:HISD_41:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.137  ! 
1:PRO_7:HA        1:PRO_7:HD*         1.800    5.000    5.000    1.000   30.000 1000.000    4.281  !   
1:PHE_33:HB2      1:PHE_33:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.164  ! 
1:ILE_36:HG2*     1:GLN_44:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.444  !   
1:PRO_35:HG*      1:PRO_35:HD1        1.800    4.000    4.000    1.000   30.000 1000.000    3.942  ! 
1:GLU-_39:HG1     1:GLU-_39:HA        1.800    4.000    4.000    1.000   30.000 1000.000    3.590  ! 
1:ASP-_6:HB2      1:CYS_8:HA          1.800    5.000    5.000    1.000   30.000 1000.000    3.973  ! 
1:ASP-_6:HB1      1:CYS_8:HA          1.800    5.000    5.000    1.000   30.000 1000.000    3.847  ! 
1:ASN_12:HB*      1:ALA_11:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.018  !   
1:PRO_35:HB*      1:PRO_35:HD1        1.800    5.000    5.000    1.000   30.000 1000.000    4.118  !   
1:PRO_35:HG*      1:PRO_35:HD2        1.800    5.000    5.000    1.000   30.000 1000.000    4.265  !   
1:LEU_20:HG       1:SER_24:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.622  ! 
1:THR_60:HG2*     1:SER_63:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    5.205  !   
1:LEU_72:HD2*     1:CYS_64:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.875  !   
1:ALA_54:HB*      1:ASP-_55:HB2       1.800    5.000    5.000    1.000   30.000 1000.000    4.481  !   
1:ILE_81:HD*      1:ILE_81:HB         1.800    5.000    5.000    1.000   30.000 1000.000    4.719  !   
1:ARG+_42:HD2     1:ARG+_42:HG2       1.800    4.000    4.000    1.000   30.000 1000.000    3.245  ! 
1:TYR_70:HD*      1:ILE_71:HG1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.879  !   
1:HISD_38:HD2     1:ILE_36:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    5.078  !   
1:PHE_76:HE*      1:LEU_72:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    5.435  !   
1:PHE_9:HE*       1:ARG+_10:HG2       1.800    5.000    5.000    1.000   30.000 1000.000    4.772  !   
1:PHE_9:HE*       1:ARG+_10:HG1       1.800    5.000    5.000    1.000   30.000 1000.000    4.597  !   
1:TYR_25:HD*      1:LEU_26:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.239  !   
1:PHE_33:HD*      1:MET_45:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.219  !   
1:HISD_41:HD2     1:ARG+_42:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.569  ! 
1:PHE_33:HD*      1:MET_45:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.274  !   
1:TYR_15:HE*      1:VAL_28:HB         1.800    5.000    5.000    1.000   30.000 1000.000    4.543  !   
1:TYR_15:HD*      1:VAL_28:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.773  ! 
1:HISD_41:HD2     1:GLU-_14:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.760  ! 
1:HISD_41:HD2     1:GLU-_14:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.774  ! 
1:HISD_38:HD2     1:PRO_37:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.847  ! 
1:HISD_38:HD2     1:GLU-_39:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.860  ! 
1:HISD_38:HD2     1:GLU-_39:HG2       1.800    5.000    5.000    1.000   30.000 1000.000    4.006  !   
1:PHE_9:HE*       1:ARG+_10:HB2       1.800    5.000    5.000    1.000   30.000 1000.000    4.664  !   
1:PHE_9:HD*       1:ARG+_10:HB2       1.800    5.000    5.000    1.000   30.000 1000.000    4.466  !   
1:PHE_33:HE*      1:PHE_33:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.290  !   
1:PHE_9:HD*       1:ASP-_6:HB2        1.800    5.000    5.000    1.000   30.000 1000.000    4.469  !   
1:PHE_46:HE*      1:PHE_46:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.908  ! 
1:HISD_41:HD2     1:ASN_12:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.219  !   
1:HISD_38:HD2     1:HISD_38:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.873  ! 
1:PHE_46:HD*      1:GLY_32:HA1        1.800    5.000    5.000    1.000   30.000 1000.000    5.337  !   
1:PHE_33:HE*      1:MET_45:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.154  !   
1:PHE_9:HD*       1:PRO_4:HD1         1.800    5.000    5.000    1.000   30.000 1000.000    4.619  !   
1:PHE_9:HE*       1:PHE_9:HB1         1.800    5.000    5.000    1.000   30.000 1000.000    4.623  !   
1:PHE_76:HE*      1:PHE_76:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    5.566  !   
1:TYR_70:HE*      1:TYR_70:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.571  !   
1:TYR_70:HD*      1:TYR_70:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.804  ! 
1:PHE_33:HD*      1:CYS_29:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.744  ! 
1:TYR_25:HD*      1:SER_24:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.273  !   
1:TYR_25:HD*      1:ALA_11:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.898  ! 
1:TYR_25:HE*      1:CYS_8:HA          1.800    5.000    5.000    1.000   30.000 1000.000    4.259  !   
1:HISD_41:HD2     1:GLU-_14:HA        1.800    5.000    5.000    1.000   30.000 1000.000    4.915  !   
1:PHE_9:HD*       1:ARG+_10:HA        1.800    5.000    5.000    1.000   30.000 1000.000    4.523  !   
1:PHE_9:HE*       1:PHE_9:HA          1.800    5.000    5.000    1.000   30.000 1000.000    4.091  !   
1:TYR_15:HD*      1:GLN_16:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.201  !   
1:PHE_46:HD*      1:PHE_46:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.205  !   
1:PHE_33:HD*      1:GLY_32:HA2        1.800    5.000    5.000    1.000   30.000 1000.000    4.459  !   
1:TYR_25:HD*      1:PRO_19:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.035  !   
1:PHE_33:HD*      1:CYS_29:HA         1.800    5.000    5.000    1.000   30.000 1000.000    5.135  !   
1:PHE_33:HD*      1:GLN_44:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.957  ! 
1:TYR_25:HE*      1:TYR_25:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.989  ! 
1:PHE_33:HD*      1:CYS_43:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.454  !   
1:PHE_46:HD*      1:PHE_33:HA         1.800    5.000    5.000    1.000   30.000 1000.000    5.080  !   
1:PHE_33:HE*      1:GLN_44:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.459  !   
1:PHE_33:HE*      1:PHE_33:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.419  !   
1:PHE_9:HD*       1:ARG+_10:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.963  ! 
1:PHE_33:HD*      1:CYS_29:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.105  !   
1:HISD_41:HE1     1:GLU-_39:HA        1.800    5.000    5.000    1.000   30.000 1000.000    4.042  !   
1:HISD_41:HE1     1:ARG+_42:HD1       1.800    5.000    5.000    1.000   30.000 1000.000    4.097  !   
1:HISD_41:HE1     1:ARG+_42:HD2       1.800    5.000    5.000    1.000   30.000 1000.000    4.328  !   
1:HISD_41:HE1     1:GLU-_39:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.526  ! 
1:HISD_41:HE1     1:GLU-_39:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.714  ! 
1:HISD_41:HE1     1:ARG+_42:HG1       1.800    5.000    5.000    1.000   30.000 1000.000    4.980  !   
1:HISD_41:HE1     1:ARG+_42:HG2       1.800    5.000    5.000    1.000   30.000 1000.000    4.455  !   
1:HISD_38:HE1     1:ILE_36:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.245  !   
1:CYS_43:HB2      1:PHE_33:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.222  ! 
1:HISD_41:HA      1:HISD_41:HB1       1.800    3.000    3.000    1.000   30.000 1000.000    2.671  ! 
1:HISD_41:HE1     1:HISD_41:HD2       1.800    5.000    5.000    1.000   30.000 1000.000    4.704  !   
1:HISD_38:HE1     1:HISD_38:HD2       1.800    5.000    5.000    1.000   30.000 1000.000    5.168  !   
1:ASP-_57:HA      1:ASP-_57:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.207  ! 
1:ILE_71:HA       1:ILE_71:HG1*       1.800    4.000    4.000    1.000   30.000 1000.000    3.113  ! 
1:ALA_62:HA       1:ALA_62:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.855  ! 
1:CYS_27:HA       1:CYS_13:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.772  ! 
1:SER_24:HA       1:LEU_20:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.584  ! 
1:ILE_36:HG1*     1:ILE_36:HA         1.800    5.000    5.000    1.000   30.000 1000.000    4.265  !   
1:CYS_13:HA       1:CYS_13:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.229  ! 
1:ARG+_42:HB1     1:ARG+_42:HG2       1.800    3.000    3.000    1.000   30.000 1000.000    2.968  ! 
1:MET_45:HA       1:PHE_33:HB1        1.800    4.000    4.000    1.000   30.000 1000.000    3.253  ! 
1:CYS_66:HA       1:GLU-_65:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.317  ! 
1:HISD_38:HA      1:HISD_38:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.938  ! 
1:HISD_38:HA      1:HISD_38:HB2       1.800    4.000    4.000    1.000   30.000 1000.000    3.917  ! 
1:PRO_40:HA       1:PRO_35:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.724  ! 
1:PRO_53:HB*      1:PRO_53:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.913  ! 
1:ASP-_57:HB2     1:SER_63:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.631  ! 
1:ALA_54:HB*      1:GLY_75:HA1        1.800    4.000    4.000    1.000   30.000 1000.000    4.123  !   
1:CYS_27:HA       1:CYS_13:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.258  !   
1:PHE_33:HA       1:ALA_34:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.292  !   
1:VAL_5:HA        1:GLU-_3:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.932  ! 
1:VAL_5:HA        1:ARG+_10:HG1       1.800    4.000    4.000    1.000   30.000 1000.000    3.633  ! 
1:THR_60:HA       1:ASN_59:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.639  ! 
1:ASP-_6:HB2      1:PHE_9:HB1         1.800    4.000    4.000    1.000   30.000 1000.000    3.375  ! 
1:CYS_27:HA       1:HISD_41:HA        1.800    5.000    5.000    1.000   30.000 1000.000    4.651  !   
1:GLU-_39:HA      1:PRO_40:HG*        1.800    5.000    5.000    1.000   30.000 1000.000    4.041  !   
1:PRO_53:HA       1:ILE_77:HG12       1.800    4.000    4.000    1.000   30.000 1000.000    3.207  ! 
1:ILE_36:HG2*     1:ARG+_42:HB1       1.800    4.000    4.000    1.000   30.000 1000.000    3.233  ! 
1:THR_79:HA       1:THR_79:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    4.083  !   
1:PRO_67:HD*      1:ILE_77:HG2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.476  !   
1:PHE_76:HB*      1:LEU_72:HD2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.832  !   
1:LEU_26:HB2      1:LEU_26:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.038  ! 
1:GLU-_3:HA       1:MET_2:HB1         1.800    4.000    4.000    1.000   30.000 1000.000    3.015  ! 
1:TYR_70:HD*      1:PRO_67:HD*        1.800    5.000    5.000    1.000   30.000 1000.000    5.056  !   
1:PHE_46:HD*      1:PHE_46:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.669  ! 
1:PHE_46:HE*      1:PHE_46:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.867  ! 
1:PHE_33:HE*      1:CYS_43:HB1        1.800    5.000    5.000    1.000   30.000 1000.000    4.126  !   
1:TYR_70:HD*      1:ILE_71:HB         1.800    5.000    5.000    1.000   30.000 1000.000    4.321  !   
1:PRO_67:HB2      1:PRO_67:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.322  ! 
1:ILE_71:HA       1:ILE_71:HB         1.800    4.000    4.000    1.000   30.000 1000.000    3.503  ! 
1:PRO_53:HG*      1:PRO_53:HA         1.800    4.000    4.000    1.000   30.000 1000.000    3.820  ! 
1:PRO_37:HB1      1:PRO_37:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.317  ! 
1:PRO_37:HB2      1:PRO_37:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.065  ! 
1:TYR_70:HE*      1:ILE_71:HB         1.800    5.000    5.000    1.000   30.000 1000.000    4.645  !   
1:CYS_78:HA       1:CYS_78:HB*        1.800    4.000    4.000    1.000   30.000 1000.000    3.564  ! 
1:ILE_81:HA       1:ILE_81:HD*        1.800    4.000    4.000    1.000   30.000 1000.000    3.588  ! 
1:ILE_81:HA       1:ILE_81:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.611  ! 
1:PHE_76:HB*      1:ALA_54:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.612  !   
1:ASN_59:HB2      1:THR_60:HG2*       1.800    4.000    4.000    1.000   30.000 1000.000    3.861  ! 
1:CYS_66:HA       1:CYS_66:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.868  ! 
1:GLN_44:HA       1:CYS_43:HB2        1.800    4.000    4.000    1.000   30.000 1000.000    3.441  ! 
1:ILE_71:HG1*     1:TYR_70:HB*        1.800    5.000    5.000    1.000   30.000 1000.000    4.690  !    
1:HISD_41:HE1     1:GLU-_39:HG2       1.800    4.000    4.000    1.000   30.000 1000.000    3.372  ! 
1:PHE_9:HD*       1:ARG+_10:HG2       1.800    4.000    4.000    1.000   30.000 1000.000    3.908  ! 
1:PHE_76:HD*      1:LEU_72:HD2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.682  !   
1:PHE_76:HE*      1:LEU_72:HD2*       1.800    5.000    5.000    1.000   30.000 1000.000    5.993  !   
1:ASP-_73:HA      1:LEU_72:HD2*       1.800    5.000    5.000    1.000   30.000 1000.000    4.583  !   
1:PHE_76:HB*      1:LEU_72:HD1*       1.800    5.000    5.000    1.000   30.000 1000.000    4.890  !   
1:CYS_66:HB1      1:MET_45:HE*        1.800    4.000    4.000    1.000   30.000 1000.000    3.671  ! 
1:CYS_78:HB*      1:MET_45:HE*        1.800    5.000    5.000    1.000   30.000 1000.000    4.308  !    
1:CYS_66:HB1      1:MET_45:HG*        1.800    4.000    4.000    1.000   30.000 1000.000    3.737  ! 
1:CYS_52:HB2      1:MET_45:HE*        1.800    5.000    5.000    1.000   30.000 1000.000    4.161  !   
1:MET_45:HE*      1:ILE_77:HG11       1.800    4.000    4.000    1.000   30.000 1000.000    3.922  ! 
1:ASN_48:HN2      1:ASN_48:H1         1.800    3.000    3.000    1.000   30.000 1000.000    2.917  !
1:ASN_21:HN2      1:ASN_21:H1         1.800    4.000    4.000    1.000   30.000 1000.000    3.075  !
1:ASN_48:HD2      1:ASN_48:H2         1.800    3.000    3.000    1.000   30.000 1000.000    2.979  !
1:ASN_48:HN2      1:ASN_48:H2         1.800    3.000    3.000    1.000   30.000 1000.000    2.472  !
1:ASN_21:HN2      1:ASN_21:H2         1.800    3.000    3.000    1.000   30.000 1000.000    2.677  !
1:ASN_21:HN2      1:ASN_21:H8*        1.800    4.500    4.500    1.000   30.000 1000.000    2.535  !
1:ASN_48:HN2      1:ASN_48:H8*        1.800    4.500    4.500    1.000   30.000 1000.000    2.251  !
1:ASN_48:HD2      1:ASN_48:H1         1.800    4.000    4.000    1.000   30.000 1000.000    3.697  !
1:ASN_21:HD2      1:ASN_21:H2         1.800    3.000    3.000    1.000   30.000 1000.000    2.979  !
1:ASN_21:HD2      1:ASN_21:H1         1.800    4.000    4.000    1.000   30.000 1000.000    3.697  !
1:PHE_46:HN       1:ASN_48:H8*        1.800    4.000    4.000    1.000   30.000 1000.000    2.855  !
1:LEU_20:HN       1:ASN_21:H8*        1.800    4.500    4.500    1.000   30.000 1000.000    3.071  !
1:ASN_21:HN       1:ASN_21:H8*        1.800    4.500    4.500    1.000   30.000 1000.000    3.697  !
1:ALA_34:HA       1:ASN_48:H8*        1.800    4.500    4.500    1.000   30.000 1000.000    3.569  !
1:ASN_48:HD2      1:ASN_48:HB*        1.800    3.000    3.000    1.000   30.000 1000.000    2.565  !
1:ASN_21:HD2      1:ASN_21:HB1        1.800    3.000    3.000    1.000   30.000 1000.000    2.565  !
1:ASN_21:HD2      1:ASN_21:HB2        1.800    3.000    3.000    1.000   30.000 1000.000    2.565  !

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1          1H        HIS   1   6.943   1.928  25.754
    2   2H    HIS   1          2H        HIS   1   5.363   1.696  26.331
    3   3H    HIS   1          3H        HIS   1   6.190   0.416  25.580
    4    HA   HIS   1           HA       HIS   1   5.173   2.893  24.397
    5   1HB   HIS   1          1HB       HIS   1   7.519   2.128  23.564
    6   2HB   HIS   1          2HB       HIS   1   6.703   0.733  22.895
    7    HD2  HIS   1           HD2      HIS   1   5.773   1.065  20.493
    8    HE1  HIS   1           HE1      HIS   1   5.591   5.351  20.306
    9    HE2  HIS   1           HE2      HIS   1   5.182   3.189  18.970
   10    H    MET   2           H        MET   2   5.446  -0.592  23.355
   11    HA   MET   2           HA       MET   2   4.129  -2.229  24.263
   12   1HB   MET   2          2HB       MET   2   2.929   0.187  25.695
   13   2HB   MET   2          1HB       MET   2   2.255  -1.408  25.925
   14   1HG   MET   2          1HG       MET   2   5.119  -1.619  26.242
   15   2HG   MET   2          2HG       MET   2   4.564  -0.261  27.206
   16   1HE   MET   2          1HE       MET   2   5.891  -2.969  27.522
   17   2HE   MET   2          2HE       MET   2   4.806  -4.370  27.553
   18   3HE   MET   2          3HE       MET   2   5.318  -3.612  29.070
   19    H    GLU   3           H        GLU   3   1.352  -2.187  24.822
   20    HA   GLU   3           HA       GLU   3  -0.074  -1.417  22.574
   21   1HB   GLU   3          1HB       GLU   3  -0.043  -3.876  21.497
   22   2HB   GLU   3          2HB       GLU   3   1.256  -2.748  21.105
   23   1HG   GLU   3          1HG       GLU   3   2.649  -3.746  22.952
   24   2HG   GLU   3          2HG       GLU   3   1.356  -4.886  23.294
   25    HA   PRO   4           HA       PRO   4  -3.205  -3.841  24.760
   26   1HB   PRO   4          1HB       PRO   4  -5.156  -2.496  23.146
   27   2HB   PRO   4          2HB       PRO   4  -4.862  -2.247  24.862
   28   1HG   PRO   4          1HG       PRO   4  -4.185  -0.485  22.643
   29   2HG   PRO   4          2HG       PRO   4  -4.000  -0.170  24.369
   30   1HD   PRO   4          1HD       PRO   4  -1.948  -0.803  22.429
   31   2HD   PRO   4          2HD       PRO   4  -1.713  -0.466  24.156
   32    H    VAL   5           H        VAL   5  -1.554  -4.534  22.339
   33    HA   VAL   5           HA       VAL   5  -1.927  -3.828  20.019
   34    HB   VAL   5           HB       VAL   5  -2.644  -6.705  20.510
   35   1HG1  VAL   5          1HG1      VAL   5  -1.269  -7.031  18.301
   36   2HG1  VAL   5          2HG1      VAL   5  -2.938  -6.482  18.199
   37   3HG1  VAL   5          3HG1      VAL   5  -1.622  -5.322  18.030
   38   1HG2  VAL   5          1HG2      VAL   5   0.166  -5.574  20.183
   39   2HG2  VAL   5          2HG2      VAL   5  -0.571  -5.950  21.742
   40   3HG2  VAL   5          3HG2      VAL   5  -0.258  -7.240  20.581
   41    H    ASP   6           H        ASP   6  -3.474  -3.199  18.584
   42    HA   ASP   6           HA       ASP   6  -5.131  -2.091  20.346
   43   1HB   ASP   6          2HB       ASP   6  -4.862  -1.733  17.584
   44   2HB   ASP   6          1HB       ASP   6  -6.598  -1.871  17.807
   45    HA   PRO   7           HA       PRO   7  -7.169  -5.899  18.281
   46   1HB   PRO   7          1HB       PRO   7  -7.617  -4.419  15.770
   47   2HB   PRO   7          2HB       PRO   7  -8.577  -5.725  16.462
   48   1HG   PRO   7          1HG       PRO   7  -9.223  -2.934  16.422
   49   2HG   PRO   7          2HG       PRO   7 -10.109  -4.198  17.266
   50   1HD   PRO   7          1HD       PRO   7  -8.466  -2.111  18.448
   51   2HD   PRO   7          2HD       PRO   7  -9.342  -3.397  19.290
   52    H    CYS   8           H        CYS   8  -6.083  -2.954  16.498
   53    HA   CYS   8           HA       CYS   8  -3.996  -4.652  15.371
   54   1HB   CYS   8          2HB       CYS   8  -5.818  -3.103  14.186
   55   2HB   CYS   8          1HB       CYS   8  -4.540  -1.900  14.270
   56    H    PHE   9           H        PHE   9  -3.831  -1.132  15.686
   57    HA   PHE   9           HA       PHE   9  -1.661  -0.152  15.797
   58   1HB   PHE   9          1HB       PHE   9  -3.374   0.464  17.346
   59   2HB   PHE   9          2HB       PHE   9  -2.845  -0.752  18.522
   60    HD1  PHE   9           HD1      PHE   9  -2.390   0.838  20.359
   61    HD2  PHE   9           HD2      PHE   9  -0.406   1.229  16.495
   62    HE1  PHE   9           HE1      PHE   9  -0.772   2.488  21.357
   63    HE2  PHE   9           HE2      PHE   9   1.215   2.874  17.492
   64    HZ   PHE   9           HZ       PHE   9   1.026   3.512  19.922
   65    H    ARG  10           H        ARG  10  -1.218  -2.583  15.420
   66    HA   ARG  10           HA       ARG  10   1.484  -2.802  16.330
   67   1HB   ARG  10          2HB       ARG  10  -0.404  -3.749  18.112
   68   2HB   ARG  10          1HB       ARG  10   0.396  -5.199  17.522
   69   1HG   ARG  10          1HG       ARG  10   1.630  -2.624  18.556
   70   2HG   ARG  10          2HG       ARG  10   1.551  -4.109  19.394
   71   1HD   ARG  10          1HD       ARG  10   3.293  -3.463  16.973
   72   2HD   ARG  10          2HD       ARG  10   3.839  -4.060  18.550
   73    HE   ARG  10           HE       ARG  10   2.174  -6.035  17.472
   74   1HH1  ARG  10          1HH1      ARG  10   5.205  -4.528  15.746
   75   2HH1  ARG  10          2HH1      ARG  10   4.197  -5.457  14.686
   76   1HH2  ARG  10          2HH2      ARG  10   4.097  -7.779  17.459
   77   2HH2  ARG  10          1HH2      ARG  10   5.616  -7.182  16.881
   78    H    ALA  11           H        ALA  11  -0.593  -3.652  14.122
   79    HA   ALA  11           HA       ALA  11  -1.364  -6.082  15.047
   80   1HB   ALA  11          1HB       ALA  11  -1.837  -4.771  12.489
   81   2HB   ALA  11          2HB       ALA  11  -1.835  -6.524  12.283
   82   3HB   ALA  11          3HB       ALA  11  -2.923  -5.797  13.454
   83    H    ASN  12           H        ASN  12  -0.111  -7.266  11.745
   84    HA   ASN  12           HA       ASN  12   1.888  -5.397  12.683
   85   1HB   ASN  12          1HB       ASN  12   2.634  -7.982  13.093
   86   2HB   ASN  12          2HB       ASN  12   3.092  -7.867  11.398
   87   1HD2  ASN  12          1HD2      ASN  12   3.749  -4.830  11.689
   88   2HD2  ASN  12          2HD2      ASN  12   5.384  -5.431  11.491
   89    H    CYS  13           H        CYS  13  -0.227  -5.268  10.630
   90    HA   CYS  13           HA       CYS  13   0.453  -4.416   8.367
   91   1HB   CYS  13          1HB       CYS  13   0.257  -2.295  10.587
   92   2HB   CYS  13          2HB       CYS  13  -0.140  -2.115   8.877
   93    H    GLU  14           H        GLU  14   2.204  -4.648   7.462
   94    HA   GLU  14           HA       GLU  14   4.765  -3.793   8.029
   95   1HB   GLU  14          1HB       GLU  14   3.802  -4.825   5.835
   96   2HB   GLU  14          2HB       GLU  14   3.569  -3.177   5.320
   97   1HG   GLU  14          1HG       GLU  14   6.291  -3.743   6.414
   98   2HG   GLU  14          2HG       GLU  14   5.899  -4.600   4.927
   99    H    TYR  15           H        TYR  15   3.204  -1.478   5.693
  100    HA   TYR  15           HA       TYR  15   3.238   0.669   7.493
  101   1HB   TYR  15          2HB       TYR  15   2.444   0.592   5.038
  102   2HB   TYR  15          1HB       TYR  15   0.860   0.145   5.653
  103    HD1  TYR  15           HD1      TYR  15  -0.546   1.867   6.769
  104    HD2  TYR  15           HD2      TYR  15   3.588   2.720   5.673
  105    HE1  TYR  15           HE1      TYR  15  -0.930   4.309   7.231
  106    HE2  TYR  15           HE2      TYR  15   3.206   5.165   6.132
  107    HH   TYR  15           HH       TYR  15   0.213   6.340   7.631
  108    H    GLN  16           H        GLN  16   0.161   0.500   7.191
  109    HA   GLN  16           HA       GLN  16   0.017  -0.307  10.064
  110   1HB   GLN  16          1HB       GLN  16   0.184   2.218   9.223
  111   2HB   GLN  16          2HB       GLN  16  -1.567   2.048   9.065
  112   1HG   GLN  16          1HG       GLN  16  -1.776   1.793  11.468
  113   2HG   GLN  16          2HG       GLN  16  -0.156   1.121  11.606
  114   1HE2  GLN  16          1HE2      GLN  16  -1.959   4.129  10.859
  115   2HE2  GLN  16          2HE2      GLN  16  -0.530   5.139  10.738
  116    H    CYS  17           H        CYS  17  -2.236   0.588  10.588
  117    HA   CYS  17           HA       CYS  17  -4.085  -1.385   9.340
  118   1HB   CYS  17          1HB       CYS  17  -3.273  -1.203  11.962
  119   2HB   CYS  17          2HB       CYS  17  -4.891  -0.529  12.059
  120    H    GLN  18           H        GLN  18  -6.596  -0.997   9.664
  121    HA   GLN  18           HA       GLN  18  -7.238   1.624   8.970
  122   1HB   GLN  18          2HB       GLN  18  -8.484  -1.050   9.321
  123   2HB   GLN  18          1HB       GLN  18  -9.521   0.234   9.865
  124   1HG   GLN  18          1HG       GLN  18  -8.461  -0.206   7.054
  125   2HG   GLN  18          2HG       GLN  18 -10.126  -0.078   7.591
  126   1HE2  GLN  18          2HE2      GLN  18  -7.664   1.641   6.029
  127   2HE2  GLN  18          1HE2      GLN  18  -7.520   3.033   7.084
  128    HA   PRO  19           HA       PRO  19  -7.396  -1.280  11.662
  129   1HB   PRO  19          1HB       PRO  19  -8.770  -0.937  14.262
  130   2HB   PRO  19          2HB       PRO  19  -7.394  -1.950  13.866
  131   1HG   PRO  19          1HG       PRO  19  -7.259   0.504  15.274
  132   2HG   PRO  19          2HG       PRO  19  -5.882  -0.270  14.490
  133   1HD   PRO  19          1HD       PRO  19  -7.312   2.167  13.649
  134   2HD   PRO  19          2HD       PRO  19  -5.809   1.499  12.993
  135    H    LEU  20           H        LEU  20  -8.921  -2.169  10.532
  136    HA   LEU  20           HA       LEU  20 -10.296  -3.852  11.566
  137   1HB   LEU  20          1HB       LEU  20 -11.242  -2.658  13.423
  138   2HB   LEU  20          2HB       LEU  20 -12.009  -1.474  12.369
  139    HG   LEU  20           HG       LEU  20 -13.183  -3.633  11.389
  140   1HD1  LEU  20          1HD1      LEU  20 -11.975  -5.121  13.098
  141   2HD1  LEU  20          2HD1      LEU  20 -12.896  -4.304  14.356
  142   3HD1  LEU  20          3HD1      LEU  20 -13.735  -5.252  13.132
  143   1HD2  LEU  20          1HD2      LEU  20 -14.476  -2.686  13.884
  144   2HD2  LEU  20          2HD2      LEU  20 -13.963  -1.414  12.774
  145   3HD2  LEU  20          3HD2      LEU  20 -15.069  -2.673  12.223
  146    H    ASN  21           H        ASN  21 -11.640  -1.144  10.448
  147    HA   ASN  21           HA       ASN  21 -14.076  -2.129  10.428
  148   1HB   ASN  21          1HB       ASN  21 -13.084   0.376   9.361
  149   2HB   ASN  21          2HB       ASN  21 -14.366  -0.193   8.271
  150   1HD2  ASN  21           HD2      ASN  21 -15.839   1.526   8.982
  151    H    GLN  22           H        GLN  22 -14.908  -3.815   9.615
  152    HA   GLN  22           HA       GLN  22 -15.121  -5.583   8.136
  153   1HB   GLN  22          1HB       GLN  22 -16.723  -4.952   6.339
  154   2HB   GLN  22          2HB       GLN  22 -17.136  -4.169   7.845
  155   1HG   GLN  22          1HG       GLN  22 -16.464  -2.034   7.088
  156   2HG   GLN  22          2HG       GLN  22 -15.346  -2.690   5.896
  157   1HE2  GLN  22          1HE2      GLN  22 -16.493  -4.188   4.196
  158   2HE2  GLN  22          2HE2      GLN  22 -18.226  -4.047   3.969
  159    H    THR  23           H        THR  23 -12.277  -3.860   7.269
  160    HA   THR  23           HA       THR  23 -12.483  -6.582   6.346
  161    HB   THR  23           HB       THR  23 -10.057  -5.908   7.939
  162    HG1  THR  23           HG1      THR  23  -9.943  -4.032   7.201
  163   1HG2  THR  23          1HG2      THR  23  -9.761  -7.814   6.549
  164   2HG2  THR  23          2HG2      THR  23 -10.624  -7.086   5.194
  165   3HG2  THR  23          3HG2      THR  23  -8.999  -6.536   5.603
  166    H    SER  24           H        SER  24 -12.654  -4.935   9.181
  167    HA   SER  24           HA       SER  24 -11.714  -5.135  11.124
  168   1HB   SER  24          1HB       SER  24 -12.211  -7.029  12.577
  169   2HB   SER  24          2HB       SER  24 -13.615  -6.541  11.620
  170    HG   SER  24           HG       SER  24 -13.350  -8.760  11.648
  171    H    TYR  25           H        TYR  25  -9.891  -5.913  12.118
  172    HA   TYR  25           HA       TYR  25  -9.037  -4.328  10.102
  173   1HB   TYR  25          2HB       TYR  25  -7.133  -3.687  11.643
  174   2HB   TYR  25          1HB       TYR  25  -8.580  -4.030  12.577
  175    HD1  TYR  25           HD1      TYR  25  -5.306  -5.531  11.429
  176    HD2  TYR  25           HD2      TYR  25  -8.634  -5.750  14.249
  177    HE1  TYR  25           HE1      TYR  25  -4.124  -7.350  12.687
  178    HE2  TYR  25           HE2      TYR  25  -7.443  -7.564  15.511
  179    HH   TYR  25           HH       TYR  25  -5.657  -9.284  15.085
  180    H    LEU  26           H        LEU  26  -6.900  -3.966   9.245
  181    HA   LEU  26           HA       LEU  26  -6.787  -6.389   7.625
  182   1HB   LEU  26          2HB       LEU  26  -7.105  -4.894   5.781
  183   2HB   LEU  26          1HB       LEU  26  -8.168  -4.454   7.137
  184    HG   LEU  26           HG       LEU  26  -5.628  -2.922   6.655
  185   1HD1  LEU  26          1HD1      LEU  26  -8.459  -2.288   5.756
  186   2HD1  LEU  26          2HD1      LEU  26  -7.077  -1.198   5.663
  187   3HD1  LEU  26          3HD1      LEU  26  -7.111  -2.662   4.681
  188   1HD2  LEU  26          1HD2      LEU  26  -6.163  -2.550   8.818
  189   2HD2  LEU  26          2HD2      LEU  26  -7.084  -1.311   7.954
  190   3HD2  LEU  26          3HD2      LEU  26  -7.899  -2.781   8.546
  191    H    CYS  27           H        CYS  27  -4.722  -5.047   5.762
  192    HA   CYS  27           HA       CYS  27  -3.815  -3.228   7.804
  193   1HB   CYS  27          1HB       CYS  27  -1.769  -4.918   6.381
  194   2HB   CYS  27          2HB       CYS  27  -1.336  -3.373   7.128
  195    H    VAL  28           H        VAL  28  -3.463  -1.286   7.136
  196    HA   VAL  28           HA       VAL  28  -3.938  -0.703   4.323
  197    HB   VAL  28           HB       VAL  28  -2.953   1.658   5.229
  198   1HG1  VAL  28          1HG2      VAL  28  -5.826   0.804   5.797
  199   2HG1  VAL  28          2HG2      VAL  28  -5.246   2.425   5.416
  200   3HG1  VAL  28          3HG2      VAL  28  -5.217   1.166   4.182
  201   1HG2  VAL  28          1HG1      VAL  28  -3.896   0.225   7.731
  202   2HG2  VAL  28          2HG1      VAL  28  -2.457   1.219   7.468
  203   3HG2  VAL  28          3HG1      VAL  28  -4.044   1.968   7.567
  204    H    CYS  29           H        CYS  29  -2.013  -0.015   2.721
  205    HA   CYS  29           HA       CYS  29  -0.160   1.369   4.459
  206   1HB   CYS  29          1HB       CYS  29  -0.131   0.342   1.659
  207   2HB   CYS  29          2HB       CYS  29   1.126   1.450   2.163
  208    H    ALA  30           H        ALA  30   0.686   3.083   2.756
  209    HA   ALA  30           HA       ALA  30  -0.880   5.311   2.561
  210   1HB   ALA  30          1HB       ALA  30   0.871   6.358   1.465
  211   2HB   ALA  30          2HB       ALA  30   1.698   4.865   1.913
  212   3HB   ALA  30          3HB       ALA  30   1.057   5.062   0.282
  213    H    GLU  31           H        GLU  31  -2.812   5.510   1.496
  214    HA   GLU  31           HA       GLU  31  -3.354   2.966   1.177
  215   1HB   GLU  31          2HB       GLU  31  -4.738   5.126   1.907
  216   2HB   GLU  31          1HB       GLU  31  -5.541   4.862   0.383
  217   1HG   GLU  31          1HG       GLU  31  -5.692   2.319   1.279
  218   2HG   GLU  31          2HG       GLU  31  -5.543   3.108   2.846
  219    H    GLY  32           H        GLY  32  -2.438   4.535  -1.349
  220   1HA   GLY  32          1HA       GLY  32  -3.557   2.320  -3.029
  221   2HA   GLY  32          2HA       GLY  32  -2.780   3.747  -3.781
  222    H    PHE  33           H        PHE  33  -1.543   2.300  -0.796
  223    HA   PHE  33           HA       PHE  33   0.290   0.541  -2.261
  224   1HB   PHE  33          2HB       PHE  33   0.447   2.289   0.180
  225   2HB   PHE  33          1HB       PHE  33   1.272   0.731   0.313
  226    HD1  PHE  33           HD1      PHE  33   3.493   0.566  -0.346
  227    HD2  PHE  33           HD2      PHE  33   0.919   3.566  -2.186
  228    HE1  PHE  33           HE1      PHE  33   5.478   1.518  -1.568
  229    HE2  PHE  33           HE2      PHE  33   2.904   4.529  -3.399
  230    HZ   PHE  33           HZ       PHE  33   5.181   3.492  -3.103
  231    H    ALA  34           H        ALA  34   0.056  -1.670  -1.792
  232    HA   ALA  34           HA       ALA  34  -2.003  -2.633  -0.154
  233   1HB   ALA  34          1HB       ALA  34  -3.928  -1.702  -1.006
  234   2HB   ALA  34          2HB       ALA  34  -2.959  -0.755  -2.133
  235   3HB   ALA  34          3HB       ALA  34  -3.557  -2.359  -2.592
  236    HA   PRO  35           HA       PRO  35  -0.947  -6.141  -0.685
  237   1HB   PRO  35          1HB       PRO  35  -3.027  -7.688  -2.058
  238   2HB   PRO  35          2HB       PRO  35  -2.649  -7.649  -0.341
  239   1HG   PRO  35          1HG       PRO  35  -4.898  -6.422  -1.618
  240   2HG   PRO  35          2HG       PRO  35  -4.428  -6.259   0.069
  241   1HD   PRO  35          1HD       PRO  35  -4.216  -4.242  -2.027
  242   2HD   PRO  35          2HD       PRO  35  -3.786  -4.074  -0.316
  243    H    ILE  36           H        ILE  36   0.548  -5.234  -2.346
  244    HA   ILE  36           HA       ILE  36   1.209  -6.289  -4.646
  245    HB   ILE  36           HB       ILE  36   2.919  -5.448  -3.232
  246   1HG1  ILE  36          1HG1      ILE  36   3.596  -7.625  -4.619
  247   2HG1  ILE  36          2HG1      ILE  36   4.700  -6.664  -3.676
  248   1HG2  ILE  36          1HG2      ILE  36   2.027  -7.494  -1.200
  249   2HG2  ILE  36          2HG2      ILE  36   3.575  -6.658  -1.057
  250   3HG2  ILE  36          3HG2      ILE  36   2.065  -5.740  -1.090
  251   1HD1  ILE  36          1HD1      ILE  36   4.823  -8.232  -1.960
  252   2HD1  ILE  36          2HD1      ILE  36   3.158  -8.749  -2.242
  253   3HD1  ILE  36          3HD1      ILE  36   4.444  -9.328  -3.312
  254    HA   PRO  37           HA       PRO  37   1.217 -10.971  -4.974
  255   1HB   PRO  37          2HB       PRO  37   4.109 -10.274  -5.048
  256   2HB   PRO  37          1HB       PRO  37   3.225 -11.360  -6.120
  257   1HG   PRO  37          1HG       PRO  37   3.927  -8.680  -6.746
  258   2HG   PRO  37          2HG       PRO  37   2.716  -9.627  -7.604
  259   1HD   PRO  37          1HD       PRO  37   2.218  -7.312  -5.987
  260   2HD   PRO  37          2HD       PRO  37   1.005  -8.377  -6.688
  261    H    HIS  38           H        HIS  38   1.457  -9.681  -2.045
  262    HA   HIS  38           HA       HIS  38   0.468 -12.193  -2.035
  263   1HB   HIS  38          1HB       HIS  38   1.928 -13.412  -0.365
  264   2HB   HIS  38          2HB       HIS  38   2.422 -13.433  -2.064
  265    HD1  HIS  38           HD1      HIS  38   4.741 -14.210  -0.407
  266    HD2  HIS  38           HD2      HIS  38   3.660 -10.176  -0.992
  267    HE1  HIS  38           HE1      HIS  38   6.813 -12.805   0.153
  268    H    GLU  39           H        GLU  39   2.285 -11.550   0.540
  269    HA   GLU  39           HA       GLU  39   0.450 -12.536   2.153
  270   1HB   GLU  39          2HB       GLU  39   2.077 -10.202   3.230
  271   2HB   GLU  39          1HB       GLU  39   1.403 -11.512   4.212
  272   1HG   GLU  39          1HG       GLU  39   3.033 -12.652   2.086
  273   2HG   GLU  39          2HG       GLU  39   3.965 -11.422   2.937
  274    HA   PRO  40           HA       PRO  40  -2.964  -9.576   2.678
  275   1HB   PRO  40          1HB       PRO  40  -3.801 -11.222   4.935
  276   2HB   PRO  40          2HB       PRO  40  -4.606 -11.042   3.381
  277   1HG   PRO  40          1HG       PRO  40  -3.115 -13.327   4.320
  278   2HG   PRO  40          2HG       PRO  40  -3.871 -13.127   2.743
  279   1HD   PRO  40          1HD       PRO  40  -1.032 -13.044   3.381
  280   2HD   PRO  40          2HD       PRO  40  -1.782 -12.880   1.783
  281    H    HIS  41           H        HIS  41  -0.293  -8.910   3.766
  282    HA   HIS  41           HA       HIS  41  -2.213  -7.148   5.083
  283   1HB   HIS  41          2HB       HIS  41  -0.148  -6.071   6.298
  284   2HB   HIS  41          1HB       HIS  41  -0.802  -7.565   6.973
  285    HD1  HIS  41           HD1      HIS  41   0.620  -9.834   5.348
  286    HD2  HIS  41           HD2      HIS  41   2.414  -6.183   6.515
  287    HE1  HIS  41           HE1      HIS  41   3.163 -10.213   5.255
  288    H    ARG  42           H        ARG  42  -0.351  -7.575   2.562
  289    HA   ARG  42           HA       ARG  42   1.415  -5.369   3.208
  290   1HB   ARG  42          1HB       ARG  42   1.564  -7.348   0.914
  291   2HB   ARG  42          2HB       ARG  42   2.493  -5.878   0.834
  292   1HG   ARG  42          2HG       ARG  42   3.866  -6.358   2.578
  293   2HG   ARG  42          1HG       ARG  42   2.658  -7.348   3.402
  294   1HD   ARG  42          2HD       ARG  42   3.628  -9.246   2.430
  295   2HD   ARG  42          1HD       ARG  42   3.373  -8.570   0.817
  296    HE   ARG  42           HE       ARG  42   5.548  -7.517   0.985
  297   1HH1  ARG  42          2HH1      ARG  42   5.797 -10.804   2.224
  298   2HH1  ARG  42          1HH1      ARG  42   7.378 -10.180   1.892
  299   1HH2  ARG  42          1HH2      ARG  42   5.850  -7.562   4.085
  300   2HH2  ARG  42          2HH2      ARG  42   7.298  -8.511   4.036
  301    H    CYS  43           H        CYS  43   1.876  -3.529   2.199
  302    HA   CYS  43           HA       CYS  43   0.694  -3.085  -0.466
  303   1HB   CYS  43          2HB       CYS  43   2.183  -0.969  -0.326
  304   2HB   CYS  43          1HB       CYS  43   0.768  -1.148   0.696
  305    H    GLN  44           H        GLN  44   2.028  -2.822  -2.369
  306    HA   GLN  44           HA       GLN  44   4.646  -2.071  -1.968
  307   1HB   GLN  44          2HB       GLN  44   4.396  -4.967  -1.983
  308   2HB   GLN  44          1HB       GLN  44   5.210  -4.475  -3.456
  309   1HG   GLN  44          1HG       GLN  44   7.135  -4.330  -2.233
  310   2HG   GLN  44          2HG       GLN  44   6.449  -2.915  -1.443
  311   1HE2  GLN  44          2HE2      GLN  44   5.944  -6.484  -1.337
  312   2HE2  GLN  44          1HE2      GLN  44   6.723  -6.629   0.228
  313    H    MET  45           H        MET  45   4.390  -0.580  -4.314
  314    HA   MET  45           HA       MET  45   2.292  -0.610  -2.674
  315   1HB   MET  45          1HB       MET  45   0.990   0.797  -4.554
  316   2HB   MET  45          2HB       MET  45   2.438   1.417  -3.808
  317   1HG   MET  45          1HG       MET  45   2.248   1.466  -6.423
  318   2HG   MET  45          2HG       MET  45   3.777   0.992  -5.702
  319   1HE   MET  45          1HE       MET  45   3.810  -1.257  -8.754
  320   2HE   MET  45          2HE       MET  45   2.921   0.269  -8.775
  321   3HE   MET  45          3HE       MET  45   4.461   0.152  -7.894
  322    H    PHE  46           H        PHE  46  -0.346  -0.716  -3.292
  323    HA   PHE  46           HA       PHE  46  -1.107  -2.716  -5.023
  324   1HB   PHE  46          2HB       PHE  46  -2.787  -1.265  -4.058
  325   2HB   PHE  46          1HB       PHE  46  -2.034   0.183  -4.668
  326    HD1  PHE  46           HD1      PHE  46  -2.046   0.573  -7.263
  327    HD2  PHE  46           HD2      PHE  46  -4.517  -2.398  -5.241
  328    HE1  PHE  46           HE1      PHE  46  -3.603   0.522  -9.240
  329    HE2  PHE  46           HE2      PHE  46  -6.075  -2.447  -7.219
  330    HZ   PHE  46           HZ       PHE  46  -5.620  -0.985  -9.217
  331    H    CYS  47           H        CYS  47  -0.012  -3.323  -6.863
  332    HA   CYS  47           HA       CYS  47  -0.698  -1.266  -8.863
  333   1HB   CYS  47          2HB       CYS  47   1.595  -1.182  -9.148
  334   2HB   CYS  47          1HB       CYS  47   1.854  -2.869  -8.737
  335    H    ASN  48           H        ASN  48  -2.738  -2.380  -8.835
  336    HA   ASN  48           HA       ASN  48  -2.736  -5.177  -9.571
  337   1HB   ASN  48          2HB       ASN  48  -4.597  -4.133  -8.201
  338   2HB   ASN  48          1HB       ASN  48  -5.067  -3.170  -9.600
  339   1HD2  ASN  48           HD2      ASN  48  -6.762  -6.395  -8.682
  340    H    GLN  49           H        GLN  49  -2.953  -6.113 -11.539
  341    HA   GLN  49           HA       GLN  49  -1.830  -4.178 -13.421
  342   1HB   GLN  49          2HB       GLN  49  -1.922  -7.196 -13.844
  343   2HB   GLN  49          1HB       GLN  49  -0.741  -6.069 -14.462
  344   1HG   GLN  49          2HG       GLN  49  -0.260  -5.640 -11.847
  345   2HG   GLN  49          1HG       GLN  49  -0.956  -7.249 -11.690
  346   1HE2  GLN  49          1HE2      GLN  49   1.567  -5.343 -13.345
  347   2HE2  GLN  49          2HE2      GLN  49   2.215  -6.683 -14.273
  348    H    THR  50           H        THR  50  -3.533  -3.574 -15.598
  349    HA   THR  50           HA       THR  50  -2.141  -6.140 -16.096
  350    HB   THR  50           HB       THR  50  -4.082  -4.617 -17.866
  351    HG1  THR  50           HG1      THR  50  -4.489  -6.947 -18.289
  352   1HG2  THR  50          1HG2      THR  50  -3.110  -6.490 -19.614
  353   2HG2  THR  50          2HG2      THR  50  -1.618  -6.055 -18.781
  354   3HG2  THR  50          3HG2      THR  50  -2.563  -4.813 -19.604
  355    H    ALA  51           H        ALA  51   0.083  -5.357 -15.861
  356    HA   ALA  51           HA       ALA  51   0.932  -3.487 -14.776
  357   1HB   ALA  51          1HB       ALA  51   2.262  -2.254 -16.361
  358   2HB   ALA  51          2HB       ALA  51   0.996  -2.295 -17.589
  359   3HB   ALA  51          3HB       ALA  51   1.923  -3.753 -17.229
  360    H    CYS  52           H        CYS  52  -0.938  -1.972 -13.498
  361    HA   CYS  52           HA       CYS  52  -0.120   0.416 -14.611
  362   1HB   CYS  52          2HB       CYS  52   0.533   0.985 -12.422
  363   2HB   CYS  52          1HB       CYS  52  -0.388  -0.459 -12.059
  364    HA   PRO  53           HA       PRO  53   4.181   0.162 -15.450
  365   1HB   PRO  53          2HB       PRO  53   3.996   2.299 -17.239
  366   2HB   PRO  53          1HB       PRO  53   4.116   0.617 -17.756
  367   1HG   PRO  53          2HG       PRO  53   1.755   2.420 -17.721
  368   2HG   PRO  53          1HG       PRO  53   2.038   0.979 -18.714
  369   1HD   PRO  53          2HD       PRO  53   0.363   1.160 -16.393
  370   2HD   PRO  53          1HD       PRO  53   0.838  -0.340 -17.212
  371    H    ALA  54           H        ALA  54   5.433   1.866 -14.538
  372    HA   ALA  54           HA       ALA  54   5.333   4.467 -14.267
  373   1HB   ALA  54          1HB       ALA  54   6.281   3.479 -16.993
  374   2HB   ALA  54          2HB       ALA  54   7.125   3.027 -15.511
  375   3HB   ALA  54          3HB       ALA  54   7.006   4.725 -15.976
  376    H    ASP  55           H        ASP  55   5.548   5.414 -17.156
  377    HA   ASP  55           HA       ASP  55   4.402   7.231 -17.932
  378   1HB   ASP  55          2HB       ASP  55   3.659   5.666 -19.518
  379   2HB   ASP  55          1HB       ASP  55   2.793   4.722 -18.322
  380    H    CYS  56           H        CYS  56   4.430   7.461 -15.221
  381    HA   CYS  56           HA       CYS  56   2.489   8.546 -13.981
  382   1HB   CYS  56          2HB       CYS  56   4.394  10.544 -15.016
  383   2HB   CYS  56          1HB       CYS  56   4.154   9.937 -13.364
  384    H    ASP  57           H        ASP  57   2.818  11.427 -14.758
  385    HA   ASP  57           HA       ASP  57   0.105  11.268 -15.737
  386   1HB   ASP  57          1HB       ASP  57   1.464  12.909 -13.935
  387   2HB   ASP  57          2HB       ASP  57   1.322  13.976 -15.324
  388    HA   PRO  58           HA       PRO  58   1.436  14.319 -19.076
  389   1HB   PRO  58          2HB       PRO  58  -0.716  16.147 -18.495
  390   2HB   PRO  58          1HB       PRO  58  -0.528  15.130 -19.902
  391   1HG   PRO  58          2HG       PRO  58  -2.352  14.756 -17.637
  392   2HG   PRO  58          1HG       PRO  58  -2.338  13.920 -19.185
  393   1HD   PRO  58          2HD       PRO  58  -1.453  12.873 -16.651
  394   2HD   PRO  58          1HD       PRO  58  -1.312  12.082 -18.224
  395    H    ASN  59           H        ASN  59  -0.280  15.858 -16.155
  396    HA   ASN  59           HA       ASN  59   1.480  17.818 -17.329
  397   1HB   ASN  59          1HB       ASN  59  -1.277  17.680 -16.868
  398   2HB   ASN  59          2HB       ASN  59  -0.748  18.793 -15.593
  399   1HD2  ASN  59          1HD2      ASN  59  -2.124  18.734 -18.290
  400   2HD2  ASN  59          2HD2      ASN  59  -1.649  20.260 -19.032
  401    H    THR  60           H        THR  60   0.835  16.499 -14.472
  402    HA   THR  60           HA       THR  60   1.457  18.977 -12.983
  403    HB   THR  60           HB       THR  60  -0.017  18.345 -11.279
  404    HG1  THR  60           HG1      THR  60  -0.041  16.462 -10.428
  405   1HG2  THR  60          1HG2      THR  60  -1.221  16.230 -13.006
  406   2HG2  THR  60          2HG2      THR  60  -1.012  17.798 -13.789
  407   3HG2  THR  60          3HG2      THR  60  -1.965  17.665 -12.311
  408    H    GLN  61           H        GLN  61   3.716  17.092 -13.778
  409    HA   GLN  61           HA       GLN  61   3.371  14.728 -12.692
  410   1HB   GLN  61          2HB       GLN  61   5.843  14.275 -12.691
  411   2HB   GLN  61          1HB       GLN  61   5.350  15.181 -14.102
  412   1HG   GLN  61          2HG       GLN  61   5.950  17.307 -12.589
  413   2HG   GLN  61          1HG       GLN  61   6.916  16.142 -11.691
  414   1HE2  GLN  61          1HE2      GLN  61   8.636  17.621 -12.486
  415   2HE2  GLN  61          2HE2      GLN  61   9.555  16.772 -13.715
  416    H    ALA  62           H        ALA  62   2.317  15.974 -10.485
  417    HA   ALA  62           HA       ALA  62   3.616  15.355  -8.261
  418   1HB   ALA  62          1HB       ALA  62   1.006  15.600  -8.877
  419   2HB   ALA  62          2HB       ALA  62   1.531  14.961  -7.318
  420   3HB   ALA  62          3HB       ALA  62   1.032  13.858  -8.601
  421    H    SER  63           H        SER  63   5.120  13.444 -10.028
  422    HA   SER  63           HA       SER  63   3.679  10.966  -9.957
  423   1HB   SER  63          2HB       SER  63   2.210  11.202 -11.819
  424   2HB   SER  63          1HB       SER  63   2.164  12.847 -11.187
  425    HG   SER  63           HG       SER  63   2.846  13.380 -13.015
  426    H    CYS  64           H        CYS  64   6.694  10.881 -10.105
  427    HA   CYS  64           HA       CYS  64   4.663   8.968 -11.019
  428   1HB   CYS  64          2HB       CYS  64   7.351   9.026 -12.072
  429   2HB   CYS  64          1HB       CYS  64   7.239   7.605 -11.055
  430    H    GLU  65           H        GLU  65   3.896   7.824  -9.340
  431    HA   GLU  65           HA       GLU  65   4.491   9.256  -7.040
  432   1HB   GLU  65          1HB       GLU  65   2.295   8.265  -7.288
  433   2HB   GLU  65          2HB       GLU  65   2.966   6.659  -7.407
  434   1HG   GLU  65          2HG       GLU  65   2.138   6.775  -5.169
  435   2HG   GLU  65          1HG       GLU  65   3.869   7.030  -4.981
  436    H    CYS  66           H        CYS  66   4.626   5.996  -7.258
  437    HA   CYS  66           HA       CYS  66   5.390   5.773  -4.699
  438   1HB   CYS  66          1HB       CYS  66   5.458   3.241  -6.202
  439   2HB   CYS  66          2HB       CYS  66   4.306   3.818  -4.993
  440    HA   PRO  67           HA       PRO  67   9.398   5.992  -4.288
  441   1HB   PRO  67          1HB       PRO  67   9.020   8.765  -5.173
  442   2HB   PRO  67          2HB       PRO  67  10.492   7.770  -5.217
  443   1HG   PRO  67          2HG       PRO  67   8.783   8.473  -7.437
  444   2HG   PRO  67          1HG       PRO  67  10.213   7.450  -7.476
  445   1HD   PRO  67          2HD       PRO  67   7.474   6.587  -7.763
  446   2HD   PRO  67          1HD       PRO  67   8.909   5.564  -7.688
  447    H    GLU  68           H        GLU  68   9.093   8.204  -2.551
  448    HA   GLU  68           HA       GLU  68   8.964   5.986  -1.320
  449   1HB   GLU  68          2HB       GLU  68   7.705   7.137   0.723
  450   2HB   GLU  68          1HB       GLU  68   9.247   7.768   0.195
  451   1HG   GLU  68          2HG       GLU  68   8.076   9.499  -1.191
  452   2HG   GLU  68          1HG       GLU  68   6.520   8.863  -0.664
  453    H    GLY  69           H        GLY  69   6.731   4.877  -3.102
  454   1HA   GLY  69          2HA       GLY  69   7.620   3.791  -0.485
  455   2HA   GLY  69          1HA       GLY  69   7.138   2.798  -1.897
  456    H    TYR  70           H        TYR  70   8.547   4.438  -3.898
  457    HA   TYR  70           HA       TYR  70   9.533   2.664  -5.069
  458   1HB   TYR  70          2HB       TYR  70  11.848   3.300  -5.397
  459   2HB   TYR  70          1HB       TYR  70  10.957   4.769  -5.041
  460    HD1  TYR  70           HD1      TYR  70  13.667   2.555  -4.027
  461    HD2  TYR  70           HD2      TYR  70  11.043   5.762  -2.666
  462    HE1  TYR  70           HE1      TYR  70  15.214   2.997  -2.094
  463    HE2  TYR  70           HE2      TYR  70  12.632   6.259  -0.779
  464    HH   TYR  70           HH       TYR  70  15.240   5.819  -0.355
  465    H    ILE  71           H        ILE  71   9.822  -0.016  -4.239
  466    HA   ILE  71           HA       ILE  71  12.342   1.370  -4.943
  467    HB   ILE  71           HB       ILE  71  11.870  -1.502  -4.131
  468   1HG1  ILE  71          1HG1      ILE  71  14.228  -0.988  -3.089
  469   2HG1  ILE  71          2HG1      ILE  71  13.805   0.680  -3.374
  470   1HG2  ILE  71          1HG2      ILE  71  13.024  -2.199  -5.978
  471   2HG2  ILE  71          2HG2      ILE  71  14.438  -1.651  -5.076
  472   3HG2  ILE  71          3HG2      ILE  71  13.704  -0.602  -6.292
  473   1HD1  ILE  71          1HD1      ILE  71  12.757  -1.187  -1.328
  474   2HD1  ILE  71          2HD1      ILE  71  11.477  -0.324  -2.180
  475   3HD1  ILE  71          3HD1      ILE  71  12.742   0.576  -1.341
  476    H    LEU  72           H        LEU  72  10.241   1.875  -6.562
  477    HA   LEU  72           HA       LEU  72  10.283   1.543  -9.015
  478   1HB   LEU  72          2HB       LEU  72  11.575   3.571  -7.560
  479   2HB   LEU  72          1HB       LEU  72  12.771   3.083  -8.732
  480    HG   LEU  72           HG       LEU  72  11.187   3.316 -10.569
  481   1HD1  LEU  72          1HD2      LEU  72   9.155   4.863  -9.569
  482   2HD1  LEU  72          2HD2      LEU  72   9.425   3.700  -8.253
  483   3HD1  LEU  72          3HD2      LEU  72   9.051   3.107  -9.877
  484   1HD2  LEU  72          1HD1      LEU  72  12.242   5.510  -8.915
  485   2HD2  LEU  72          2HD1      LEU  72  10.815   5.997  -9.831
  486   3HD2  LEU  72          3HD1      LEU  72  12.220   5.341 -10.672
  487    H    ASP  73           H        ASP  73  11.214  -0.493 -10.391
  488    HA   ASP  73           HA       ASP  73  11.601   1.713 -11.712
  489   1HB   ASP  73          2HB       ASP  73  13.595   2.314 -10.385
  490   2HB   ASP  73          1HB       ASP  73  14.382   0.799 -10.834
  491    H    ASP  74           H        ASP  74  11.322  -1.311 -11.794
  492    HA   ASP  74           HA       ASP  74  11.419  -2.153 -14.346
  493   1HB   ASP  74          2HB       ASP  74   8.972  -1.171 -12.833
  494   2HB   ASP  74          1HB       ASP  74   8.811  -1.964 -14.399
  495    H    GLY  75           H        GLY  75   8.931  -0.765 -15.430
  496   1HA   GLY  75          1HA       GLY  75   9.623   1.101 -17.240
  497   2HA   GLY  75          2HA       GLY  75   8.197   1.311 -16.222
  498    H    PHE  76           H        PHE  76   8.553   2.004 -14.334
  499    HA   PHE  76           HA       PHE  76  10.496   3.723 -13.232
  500   1HB   PHE  76          2HB       PHE  76   9.555   4.859 -15.605
  501   2HB   PHE  76          1HB       PHE  76   8.575   5.685 -14.407
  502    HD1  PHE  76           HD1      PHE  76  12.179   4.466 -14.373
  503    HD2  PHE  76           HD2      PHE  76   9.432   7.835 -14.011
  504    HE1  PHE  76           HE1      PHE  76  14.114   5.986 -13.845
  505    HE2  PHE  76           HE2      PHE  76  11.365   9.357 -13.484
  506    HZ   PHE  76           HZ       PHE  76  13.707   8.432 -13.397
  507    H    ILE  77           H        ILE  77   8.885   2.187 -11.940
  508    HA   ILE  77           HA       ILE  77   6.810   2.455 -13.594
  509    HB   ILE  77           HB       ILE  77   7.875   0.468 -12.648
  510   1HG1  ILE  77          1HG1      ILE  77   4.872   0.235 -12.816
  511   2HG1  ILE  77          2HG1      ILE  77   5.927   0.391 -14.197
  512   1HG2  ILE  77          1HG2      ILE  77   7.154   1.267 -10.236
  513   2HG2  ILE  77          2HG2      ILE  77   7.410  -0.439 -10.625
  514   3HG2  ILE  77          3HG2      ILE  77   5.763   0.218 -10.569
  515   1HD1  ILE  77          1HD1      ILE  77   5.202  -2.030 -13.294
  516   2HD1  ILE  77          2HD1      ILE  77   6.558  -1.784 -12.194
  517   3HD1  ILE  77          3HD1      ILE  77   6.822  -1.766 -13.938
  518    H    CYS  78           H        CYS  78   4.246   1.907 -12.715
  519    HA   CYS  78           HA       CYS  78   3.231   1.265 -10.715
  520   1HB   CYS  78          2HB       CYS  78   3.968   1.949  -8.586
  521   2HB   CYS  78          1HB       CYS  78   5.449   2.055  -9.510
  522    H    THR  79           H        THR  79   2.121   2.507 -12.660
  523    HA   THR  79           HA       THR  79  -0.076   3.716 -11.511
  524    HB   THR  79           HB       THR  79   1.186   5.682 -10.885
  525    HG1  THR  79           HG1      THR  79  -0.018   6.195 -13.350
  526   1HG2  THR  79          1HG2      THR  79   2.244   5.905 -13.744
  527   2HG2  THR  79          2HG2      THR  79   3.169   5.152 -12.445
  528   3HG2  THR  79          3HG2      THR  79   2.735   6.859 -12.345
  529    H    ASP  80           H        ASP  80   0.273   1.846 -13.843
  530    HA   ASP  80           HA       ASP  80  -1.825   1.677 -14.831
  531   1HB   ASP  80          2HB       ASP  80  -2.345   0.940 -12.669
  532   2HB   ASP  80          1HB       ASP  80  -1.811   2.450 -11.923
  533    H    ILE  81           H        ILE  81  -1.204   4.066 -16.234
  534    HA   ILE  81           HA       ILE  81  -3.442   5.457 -16.330
  535    HB   ILE  81           HB       ILE  81  -1.793   5.311 -18.140
  536   1HG1  ILE  81          2HG1      ILE  81  -4.468   5.904 -18.411
  537   2HG1  ILE  81          1HG1      ILE  81  -3.219   6.276 -19.573
  538   1HG2  ILE  81          1HG2      ILE  81  -2.137   3.482 -19.910
  539   2HG2  ILE  81          2HG2      ILE  81  -3.109   2.630 -18.708
  540   3HG2  ILE  81          3HG2      ILE  81  -1.407   2.962 -18.389
  541   1HD1  ILE  81          1HD1      ILE  81  -3.741   4.364 -20.933
  542   2HD1  ILE  81          2HD1      ILE  81  -5.314   5.000 -20.455
  543   3HD1  ILE  81          3HD1      ILE  81  -4.651   3.582 -19.642
  544    H    ASP  82           H        ASP  82  -4.153   2.759 -15.065
  545    HA   ASP  82           HA       ASP  82  -4.581   1.036 -17.262
  546   1HB   ASP  82          1HB       ASP  82  -4.201   0.357 -14.763
  547   2HB   ASP  82          2HB       ASP  82  -5.937   0.571 -14.554
  548    H    GLU  83           H        GLU  83  -7.185   2.468 -15.081
  549    HA   GLU  83           HA       GLU  83  -8.611   0.202 -15.661
  550   1HB   GLU  83          1HB       GLU  83  -9.085   2.568 -14.204
  551   2HB   GLU  83          2HB       GLU  83 -10.402   2.551 -15.353
  552   1HG   GLU  83          1HG       GLU  83  -9.711   0.125 -13.626
  553   2HG   GLU  83          2HG       GLU  83 -10.872   1.352 -13.131
  554    H1   NAG 121           H1       ASN  21 -15.710   1.878  11.908
  555    H2   NAG 121           H2       ASN  21 -14.079   3.290   9.865
  556    H3   NAG 121           H3       ASN  21 -14.230   5.454  11.326
  557    H4   NAG 121           H4       ASN  21 -16.603   5.911  12.063
  558    H5   NAG 121           H5       ASN  21 -17.382   3.262  12.740
  559   1H6   NAG 121          1H6       ASN  21 -18.550   5.201  10.680
  560   2H6   NAG 121          2H6       ASN  21 -18.941   5.171  12.399
  561   1H8   NAG 121          1H8       ASN  21 -12.096   1.102  11.955
  562   2H8   NAG 121          2H8       ASN  21 -11.598   1.509  10.301
  563   3H8   NAG 121          3H8       ASN  21 -10.545   1.920  11.669
  564    HN2  NAG 121           HN2      ASN  21 -13.824   2.816  12.753
  565    HO4  NAG 121           HO4      ASN  21 -16.101   5.271  13.948
  566    HO3  NAG 121           HO3      ASN  21 -15.953   6.160   9.988
  567    HO6  NAG 121           H6       ASN  21 -20.350   4.060  10.917
  568    H1   NAG 148           H1       ASN  48  -3.880  -6.038  -8.153
  569    H2   NAG 148           H2       ASN  48  -6.241  -6.454  -6.472
  570    H3   NAG 148           H3       ASN  48  -4.693  -7.671  -4.718
  571    H4   NAG 148           H4       ASN  48  -3.648  -9.700  -6.034
  572    H5   NAG 148           H5       ASN  48  -2.502  -7.764  -7.922
  573   1H6   NAG 148          1H6       ASN  48  -3.278 -10.653  -7.823
  574   2H6   NAG 148          2H6       ASN  48  -1.841  -9.900  -8.516
  575   1H8   NAG 148          1H8       ASN  48  -2.945  -3.611  -4.703
  576   2H8   NAG 148          2H8       ASN  48  -3.303  -4.996  -3.656
  577   3H8   NAG 148          3H8       ASN  48  -1.687  -4.815  -4.370
  578    HN2  NAG 148           HN2      ASN  48  -5.076  -4.680  -5.713
  579    HO4  NAG 148           HO4      ASN  48  -1.705  -8.212  -6.141
  580    HO3  NAG 148           HO3      ASN  48  -5.548  -9.688  -5.781
  581    HO6  NAG 148           H6       ASN  48  -3.149 -10.709 -10.086
  Start of MODEL    2
    1   1H    HIS   1          1H        HIS   1   1.557 -11.428  27.374
    2   2H    HIS   1          2H        HIS   1   2.538 -12.733  27.843
    3   3H    HIS   1          3H        HIS   1   2.009 -11.609  29.001
    4    HA   HIS   1           HA       HIS   1   4.028 -10.830  28.727
    5   1HB   HIS   1          1HB       HIS   1   3.845 -12.176  26.051
    6   2HB   HIS   1          2HB       HIS   1   4.923 -10.802  26.152
    7    HD2  HIS   1           HD2      HIS   1   4.351 -13.502  28.898
    8    HE1  HIS   1           HE1      HIS   1   8.508 -13.636  27.831
    9    HE2  HIS   1           HE2      HIS   1   6.736 -14.600  29.431
   10    H    MET   2           H        MET   2   1.539 -10.212  26.213
   11    HA   MET   2           HA       MET   2   3.480  -8.401  25.069
   12   1HB   MET   2          2HB       MET   2   0.724  -9.388  24.252
   13   2HB   MET   2          1HB       MET   2   1.406  -8.004  23.428
   14   1HG   MET   2          1HG       MET   2   3.332 -10.244  23.675
   15   2HG   MET   2          2HG       MET   2   1.887 -10.687  22.783
   16   1HE   MET   2          1HE       MET   2   3.420 -10.950  20.304
   17   2HE   MET   2          2HE       MET   2   4.461 -10.982  21.738
   18   3HE   MET   2          3HE       MET   2   4.892  -9.964  20.352
   19    H    GLU   3           H        GLU   3   3.230  -5.976  24.879
   20    HA   GLU   3           HA       GLU   3   1.653  -4.208  24.744
   21   1HB   GLU   3          1HB       GLU   3   0.885  -6.262  22.617
   22   2HB   GLU   3          2HB       GLU   3   0.737  -4.512  22.477
   23   1HG   GLU   3          1HG       GLU   3   3.245  -6.214  22.427
   24   2HG   GLU   3          2HG       GLU   3   2.760  -4.921  21.334
   25    HA   PRO   4           HA       PRO   4  -2.554  -4.921  26.123
   26   1HB   PRO   4          1HB       PRO   4  -3.559  -2.539  24.957
   27   2HB   PRO   4          2HB       PRO   4  -2.927  -2.684  26.594
   28   1HG   PRO   4          1HG       PRO   4  -1.673  -1.453  24.220
   29   2HG   PRO   4          2HG       PRO   4  -1.234  -1.262  25.924
   30   1HD   PRO   4          2HD       PRO   4   0.157  -2.814  23.958
   31   2HD   PRO   4          1HD       PRO   4   0.472  -2.806  25.701
   32    H    VAL   5           H        VAL   5  -1.797  -6.255  23.774
   33    HA   VAL   5           HA       VAL   5  -1.624  -5.025  21.536
   34    HB   VAL   5           HB       VAL   5  -3.348  -7.492  21.478
   35   1HG1  VAL   5          1HG2      VAL   5  -1.448  -7.873  19.530
   36   2HG1  VAL   5          2HG2      VAL   5  -3.027  -7.144  19.242
   37   3HG1  VAL   5          3HG2      VAL   5  -1.616  -6.117  19.499
   38   1HG2  VAL   5          1HG1      VAL   5  -0.590  -8.281  21.368
   39   2HG2  VAL   5          2HG1      VAL   5  -0.808  -7.291  22.808
   40   3HG2  VAL   5          3HG1      VAL   5  -1.805  -8.722  22.565
   41    H    ASP   6           H        ASP   6  -2.612  -3.698  20.300
   42    HA   ASP   6           HA       ASP   6  -4.902  -2.776  19.630
   43   1HB   ASP   6          1HB       ASP   6  -4.374  -3.083  17.298
   44   2HB   ASP   6          2HB       ASP   6  -2.826  -3.234  18.092
   45    HA   PRO   7           HA       PRO   7  -7.553  -5.280  17.373
   46   1HB   PRO   7          1HB       PRO   7  -8.935  -2.754  17.115
   47   2HB   PRO   7          2HB       PRO   7  -9.616  -4.299  17.603
   48   1HG   PRO   7          1HG       PRO   7  -9.072  -1.992  19.282
   49   2HG   PRO   7          2HG       PRO   7  -9.813  -3.516  19.754
   50   1HD   PRO   7          1HD       PRO   7  -7.120  -2.599  20.356
   51   2HD   PRO   7          2HD       PRO   7  -7.867  -4.131  20.836
   52    H    CYS   8           H        CYS   8  -7.401  -1.720  17.276
   53    HA   CYS   8           HA       CYS   8  -5.320  -1.953  15.215
   54   1HB   CYS   8          2HB       CYS   8  -7.587  -0.465  15.275
   55   2HB   CYS   8          1HB       CYS   8  -6.497   0.693  16.038
   56    H    PHE   9           H        PHE   9  -5.469  -1.486  18.528
   57    HA   PHE   9           HA       PHE   9  -4.380   0.816  19.176
   58   1HB   PHE   9          1HB       PHE   9  -4.927  -1.090  20.743
   59   2HB   PHE   9          2HB       PHE   9  -3.318  -1.740  20.405
   60    HD1  PHE   9           HD1      PHE   9  -5.086   1.276  21.791
   61    HD2  PHE   9           HD2      PHE   9  -1.344  -0.939  21.479
   62    HE1  PHE   9           HE1      PHE   9  -4.066   2.756  23.557
   63    HE2  PHE   9           HE2      PHE   9  -0.321   0.537  23.241
   64    HZ   PHE   9           HZ       PHE   9  -1.681   2.387  24.280
   65    H    ARG  10           H        ARG  10  -2.570  -1.830  18.806
   66    HA   ARG  10           HA       ARG  10  -0.051  -0.317  18.783
   67   1HB   ARG  10          2HB       ARG  10  -0.732  -2.733  19.882
   68   2HB   ARG  10          1HB       ARG  10   0.456  -3.146  18.648
   69   1HG   ARG  10          1HG       ARG  10   0.800  -1.837  21.249
   70   2HG   ARG  10          2HG       ARG  10   1.934  -2.576  20.143
   71   1HD   ARG  10          1HD       ARG  10   1.267   0.355  20.114
   72   2HD   ARG  10          2HD       ARG  10   2.809  -0.411  20.533
   73    HE   ARG  10           HE       ARG  10   1.646  -0.319  17.813
   74   1HH1  ARG  10          1HH1      ARG  10   4.650  -0.072  19.919
   75   2HH1  ARG  10          2HH1      ARG  10   5.104   0.740  18.458
   76   1HH2  ARG  10          1HH2      ARG  10   3.411  -1.639  16.527
   77   2HH2  ARG  10          2HH2      ARG  10   4.870  -1.961  17.403
   78    H    ALA  11           H        ALA  11  -1.946  -0.970  16.480
   79    HA   ALA  11           HA       ALA  11  -1.079  -3.012  14.963
   80   1HB   ALA  11          1HB       ALA  11  -3.126  -1.423  14.560
   81   2HB   ALA  11          2HB       ALA  11  -2.062  -0.543  13.465
   82   3HB   ALA  11          3HB       ALA  11  -2.452  -2.236  13.150
   83    H    ASN  12           H        ASN  12   0.782  -3.568  14.021
   84    HA   ASN  12           HA       ASN  12   2.685  -1.404  13.585
   85   1HB   ASN  12          1HB       ASN  12   2.955  -4.454  13.317
   86   2HB   ASN  12          2HB       ASN  12   4.298  -3.350  13.044
   87   1HD2  ASN  12          2HD2      ASN  12   1.694  -3.309  15.687
   88   2HD2  ASN  12          1HD2      ASN  12   2.660  -4.525  16.501
   89    H    CYS  13           H        CYS  13   0.299  -1.797  11.754
   90    HA   CYS  13           HA       CYS  13   0.781  -1.378   9.279
   91   1HB   CYS  13          1HB       CYS  13   0.468   1.128  11.027
   92   2HB   CYS  13          2HB       CYS  13  -0.218   0.777   9.436
   93    H    GLU  14           H        GLU  14   2.583  -1.637   8.418
   94    HA   GLU  14           HA       GLU  14   4.921  -0.134   8.621
   95   1HB   GLU  14          1HB       GLU  14   5.091  -1.638   6.896
   96   2HB   GLU  14          2HB       GLU  14   3.499  -1.330   6.249
   97   1HG   GLU  14          1HG       GLU  14   5.427   0.969   6.068
   98   2HG   GLU  14          2HG       GLU  14   5.831  -0.438   5.097
   99    H    TYR  15           H        TYR  15   2.292   0.864   6.299
  100    HA   TYR  15           HA       TYR  15   2.487   3.566   7.304
  101   1HB   TYR  15          2HB       TYR  15   1.264   2.651   5.133
  102   2HB   TYR  15          1HB       TYR  15  -0.086   2.398   6.231
  103    HD1  TYR  15           HD1      TYR  15  -1.619   4.163   6.536
  104    HD2  TYR  15           HD2      TYR  15   2.469   5.057   5.313
  105    HE1  TYR  15           HE1      TYR  15  -2.210   6.603   6.355
  106    HE2  TYR  15           HE2      TYR  15   1.880   7.496   5.121
  107    HH   TYR  15           HH       TYR  15   0.220   9.044   5.301
  108    H    GLN  16           H        GLN  16  -0.546   3.320   7.653
  109    HA   GLN  16           HA       GLN  16  -0.169   3.035  10.569
  110   1HB   GLN  16          2HB       GLN  16  -0.884   5.186   8.875
  111   2HB   GLN  16          1HB       GLN  16  -2.357   4.827   9.705
  112   1HG   GLN  16          1HG       GLN  16  -1.140   4.904  11.916
  113   2HG   GLN  16          2HG       GLN  16   0.361   5.246  11.073
  114   1HE2  GLN  16          1HE2      GLN  16   0.334   7.709   9.805
  115   2HE2  GLN  16          2HE2      GLN  16  -1.321   7.770   9.227
  116    H    CYS  17           H        CYS  17  -2.493   3.759  11.236
  117    HA   CYS  17           HA       CYS  17  -3.827   1.094  11.213
  118   1HB   CYS  17          1HB       CYS  17  -3.013   1.204  13.341
  119   2HB   CYS  17          2HB       CYS  17  -2.961   2.953  13.352
  120    H    GLN  18           H        GLN  18  -6.056   0.860  11.029
  121    HA   GLN  18           HA       GLN  18  -7.696   3.251  11.284
  122   1HB   GLN  18          2HB       GLN  18  -7.725   1.715   9.333
  123   2HB   GLN  18          1HB       GLN  18  -8.404   0.470  10.326
  124   1HG   GLN  18          1HG       GLN  18 -10.265   1.458   9.192
  125   2HG   GLN  18          2HG       GLN  18 -10.357   2.069  10.835
  126   1HE2  GLN  18          1HE2      GLN  18  -8.197   3.330   8.049
  127   2HE2  GLN  18          2HE2      GLN  18  -8.022   4.660   9.176
  128    HA   PRO  19           HA       PRO  19  -8.597  -0.683  11.932
  129   1HB   PRO  19          1HB       PRO  19 -10.949  -1.789  12.926
  130   2HB   PRO  19          2HB       PRO  19  -9.505  -1.594  13.921
  131   1HG   PRO  19          1HG       PRO  19 -12.037  -0.119  14.099
  132   2HG   PRO  19          2HG       PRO  19 -10.697  -0.175  15.247
  133   1HD   PRO  19          1HD       PRO  19 -11.287   1.911  13.240
  134   2HD   PRO  19          2HD       PRO  19 -10.086   1.951  14.545
  135    H    LEU  20           H        LEU  20  -9.692  -0.683   9.211
  136    HA   LEU  20           HA       LEU  20 -11.597  -1.723   8.767
  137   1HB   LEU  20          1HB       LEU  20  -9.149  -3.213   8.757
  138   2HB   LEU  20          2HB       LEU  20 -10.451  -4.276   9.206
  139    HG   LEU  20           HG       LEU  20 -11.810  -3.115   7.364
  140   1HD1  LEU  20          1HD1      LEU  20 -10.751  -1.881   5.680
  141   2HD1  LEU  20          2HD1      LEU  20  -9.829  -1.373   7.095
  142   3HD1  LEU  20          3HD1      LEU  20  -9.166  -2.587   6.000
  143   1HD2  LEU  20          1HD2      LEU  20 -10.707  -4.621   5.552
  144   2HD2  LEU  20          2HD2      LEU  20  -9.562  -5.090   6.806
  145   3HD2  LEU  20          3HD2      LEU  20 -11.287  -5.414   7.014
  146    H    ASN  21           H        ASN  21 -12.691  -1.577   9.882
  147    HA   ASN  21           HA       ASN  21 -12.916  -1.814  12.610
  148   1HB   ASN  21          1HB       ASN  21 -15.047  -0.539  12.652
  149   2HB   ASN  21          2HB       ASN  21 -13.973   0.059  11.371
  150   1HD2  ASN  21           HD2      ASN  21 -15.256   0.853   9.984
  151    H    GLN  22           H        GLN  22 -14.717  -3.764  10.340
  152    HA   GLN  22           HA       GLN  22 -16.416  -4.896  12.358
  153   1HB   GLN  22          1HB       GLN  22 -16.864  -4.975   9.859
  154   2HB   GLN  22          2HB       GLN  22 -15.567  -6.132   9.687
  155   1HG   GLN  22          1HG       GLN  22 -17.221  -7.705   9.957
  156   2HG   GLN  22          2HG       GLN  22 -17.081  -7.340  11.674
  157   1HE2  GLN  22          1HE2      GLN  22 -19.466  -6.920  12.523
  158   2HE2  GLN  22          2HE2      GLN  22 -20.220  -7.703  11.146
  159    H    THR  23           H        THR  23 -14.069  -5.427  14.015
  160    HA   THR  23           HA       THR  23 -12.750  -4.797  11.795
  161    HB   THR  23           HB       THR  23 -10.630  -4.598  13.157
  162    HG1  THR  23           HG1      THR  23 -11.277  -5.956  15.268
  163   1HG2  THR  23          1HG2      THR  23 -12.907  -4.504  15.195
  164   2HG2  THR  23          2HG2      THR  23 -11.409  -3.573  15.200
  165   3HG2  THR  23          3HG2      THR  23 -12.653  -3.232  13.998
  166    H    SER  24           H        SER  24 -11.772  -5.571  10.149
  167    HA   SER  24           HA       SER  24 -10.165  -7.973  10.658
  168   1HB   SER  24          2HB       SER  24 -10.808  -6.888   8.262
  169   2HB   SER  24          1HB       SER  24  -9.409  -5.870   8.631
  170    HG   SER  24           HG       SER  24  -9.008  -8.522   9.027
  171    H    TYR  25           H        TYR  25 -10.222  -4.919  11.426
  172    HA   TYR  25           HA       TYR  25  -9.031  -3.093  10.724
  173   1HB   TYR  25          2HB       TYR  25  -7.474  -2.273  12.282
  174   2HB   TYR  25          1HB       TYR  25  -8.671  -3.214  13.146
  175    HD1  TYR  25           HD1      TYR  25  -5.137  -2.746  12.673
  176    HD2  TYR  25           HD2      TYR  25  -8.135  -5.756  13.655
  177    HE1  TYR  25           HE1      TYR  25  -3.337  -4.226  13.626
  178    HE2  TYR  25           HE2      TYR  25  -6.338  -7.237  14.610
  179    HH   TYR  25           HH       TYR  25  -4.065  -7.532  14.812
  180    H    LEU  26           H        LEU  26  -6.757  -2.138  10.021
  181    HA   LEU  26           HA       LEU  26  -6.224  -4.142   8.022
  182   1HB   LEU  26          2HB       LEU  26  -6.622  -2.233   6.626
  183   2HB   LEU  26          1HB       LEU  26  -7.745  -2.101   7.995
  184    HG   LEU  26           HG       LEU  26  -5.303  -0.539   7.559
  185   1HD1  LEU  26          1HD1      LEU  26  -7.367   0.191   6.445
  186   2HD1  LEU  26          2HD1      LEU  26  -8.163   0.306   8.008
  187   3HD1  LEU  26          3HD1      LEU  26  -6.797   1.372   7.615
  188   1HD2  LEU  26          1HD2      LEU  26  -5.373   0.496   9.633
  189   2HD2  LEU  26          2HD2      LEU  26  -6.726  -0.518  10.194
  190   3HD2  LEU  26          3HD2      LEU  26  -5.151  -1.202   9.905
  191    H    CYS  27           H        CYS  27  -4.000  -2.640   6.645
  192    HA   CYS  27           HA       CYS  27  -3.620  -0.678   8.767
  193   1HB   CYS  27          1HB       CYS  27  -1.295  -2.258   7.697
  194   2HB   CYS  27          2HB       CYS  27  -1.057  -0.610   8.290
  195    H    VAL  28           H        VAL  28  -3.398   1.243   8.065
  196    HA   VAL  28           HA       VAL  28  -4.770   1.484   5.604
  197    HB   VAL  28           HB       VAL  28  -3.573   4.031   6.008
  198   1HG1  VAL  28          1HG2      VAL  28  -6.037   3.235   5.454
  199   2HG1  VAL  28          2HG2      VAL  28  -6.264   3.297   7.200
  200   3HG1  VAL  28          3HG2      VAL  28  -5.807   4.757   6.323
  201   1HG2  VAL  28          1HG1      VAL  28  -4.085   2.673   8.657
  202   2HG2  VAL  28          2HG1      VAL  28  -2.731   3.692   8.121
  203   3HG2  VAL  28          3HG1      VAL  28  -4.306   4.408   8.461
  204    H    CYS  29           H        CYS  29  -3.952   2.312   3.485
  205    HA   CYS  29           HA       CYS  29  -1.099   2.927   3.593
  206   1HB   CYS  29          1HB       CYS  29  -2.917   1.571   1.630
  207   2HB   CYS  29          2HB       CYS  29  -1.265   1.986   1.211
  208    H    ALA  30           H        ALA  30  -0.671   3.641   1.403
  209    HA   ALA  30           HA       ALA  30  -0.943   6.345   1.554
  210   1HB   ALA  30          1HB       ALA  30   0.650   4.661  -0.022
  211   2HB   ALA  30          2HB       ALA  30  -0.080   5.777  -1.185
  212   3HB   ALA  30          3HB       ALA  30   0.853   6.407   0.177
  213    H    GLU  31           H        GLU  31  -3.885   5.864   0.960
  214    HA   GLU  31           HA       GLU  31  -3.385   3.650  -0.354
  215   1HB   GLU  31          2HB       GLU  31  -5.618   4.771   0.643
  216   2HB   GLU  31          1HB       GLU  31  -6.000   4.972  -1.045
  217   1HG   GLU  31          1HG       GLU  31  -5.444   2.427  -1.290
  218   2HG   GLU  31          2HG       GLU  31  -5.468   2.379   0.471
  219    H    GLY  32           H        GLY  32  -4.816   3.087  -2.643
  220   1HA   GLY  32          1HA       GLY  32  -3.930   2.791  -4.773
  221   2HA   GLY  32          2HA       GLY  32  -3.044   4.334  -4.590
  222    H    PHE  33           H        PHE  33  -3.008   1.498  -2.394
  223    HA   PHE  33           HA       PHE  33  -0.248   0.888  -2.810
  224   1HB   PHE  33          2HB       PHE  33  -1.041   3.180  -1.044
  225   2HB   PHE  33          1HB       PHE  33   0.040   1.997  -0.282
  226    HD1  PHE  33           HD1      PHE  33  -0.307   4.406  -3.130
  227    HD2  PHE  33           HD2      PHE  33   2.376   1.762  -0.930
  228    HE1  PHE  33           HE1      PHE  33   1.677   5.469  -4.256
  229    HE2  PHE  33           HE2      PHE  33   4.354   2.884  -1.984
  230    HZ   PHE  33           HZ       PHE  33   4.010   4.748  -3.643
  231    H    ALA  34           H        ALA  34  -0.492  -1.199  -2.398
  232    HA   ALA  34           HA       ALA  34  -2.081  -1.871  -0.004
  233   1HB   ALA  34          1HB       ALA  34  -3.808  -2.761  -1.271
  234   2HB   ALA  34          2HB       ALA  34  -3.046  -2.079  -2.689
  235   3HB   ALA  34          3HB       ALA  34  -2.673  -3.737  -2.210
  236    HA   PRO  35           HA       PRO  35   0.382  -5.752   0.456
  237   1HB   PRO  35          1HB       PRO  35  -1.904  -7.115  -0.934
  238   2HB   PRO  35          2HB       PRO  35  -1.097  -7.569   0.555
  239   1HG   PRO  35          1HG       PRO  35  -3.572  -6.254   0.436
  240   2HG   PRO  35          2HG       PRO  35  -2.525  -6.276   1.850
  241   1HD   PRO  35          2HD       PRO  35  -3.133  -4.001   0.120
  242   2HD   PRO  35          1HD       PRO  35  -2.167  -4.007   1.600
  243    H    ILE  36           H        ILE  36   1.610  -4.393  -1.651
  244    HA   ILE  36           HA       ILE  36   2.697  -6.407  -3.034
  245    HB   ILE  36           HB       ILE  36   3.965  -4.647  -2.092
  246   1HG1  ILE  36          1HG1      ILE  36   4.954  -7.335  -2.013
  247   2HG1  ILE  36          2HG1      ILE  36   5.790  -5.851  -2.375
  248   1HG2  ILE  36          1HG2      ILE  36   4.490  -4.524   0.357
  249   2HG2  ILE  36          2HG2      ILE  36   2.779  -4.409  -0.012
  250   3HG2  ILE  36          3HG2      ILE  36   3.463  -5.935   0.602
  251   1HD1  ILE  36          1HD1      ILE  36   5.274  -6.983   0.411
  252   2HD1  ILE  36          2HD1      ILE  36   6.803  -7.063  -0.500
  253   3HD1  ILE  36          3HD1      ILE  36   6.182  -5.506   0.067
  254    HA   PRO  37           HA       PRO  37   2.691 -10.612  -1.001
  255   1HB   PRO  37          1HB       PRO  37   5.583  -9.778  -0.933
  256   2HB   PRO  37          2HB       PRO  37   4.910 -11.348  -1.330
  257   1HG   PRO  37          1HG       PRO  37   5.650  -9.351  -3.206
  258   2HG   PRO  37          2HG       PRO  37   4.583 -10.701  -3.574
  259   1HD   PRO  37          1HD       PRO  37   3.845  -7.925  -3.524
  260   2HD   PRO  37          2HD       PRO  37   2.749  -9.295  -3.687
  261    H    HIS  38           H        HIS  38   2.995 -11.509   0.862
  262    HA   HIS  38           HA       HIS  38   3.275 -11.808   3.046
  263   1HB   HIS  38          1HB       HIS  38   5.399 -10.938   4.067
  264   2HB   HIS  38          2HB       HIS  38   5.502 -12.040   2.693
  265    HD1  HIS  38           HD1      HIS  38   5.131  -8.109   2.408
  266    HD2  HIS  38           HD2      HIS  38   7.684 -11.361   1.616
  267    HE1  HIS  38           HE1      HIS  38   7.299  -7.102   1.454
  268    H    GLU  39           H        GLU  39   4.643  -8.934   3.573
  269    HA   GLU  39           HA       GLU  39   4.016  -9.667   6.156
  270   1HB   GLU  39          2HB       GLU  39   4.831  -6.813   5.550
  271   2HB   GLU  39          1HB       GLU  39   5.271  -7.735   6.988
  272   1HG   GLU  39          2HG       GLU  39   7.144  -8.633   5.878
  273   2HG   GLU  39          1HG       GLU  39   6.213  -8.967   4.464
  274    HA   PRO  40           HA       PRO  40   0.299  -7.407   4.716
  275   1HB   PRO  40          1HB       PRO  40  -1.496  -8.146   6.894
  276   2HB   PRO  40          2HB       PRO  40  -1.537  -8.633   5.212
  277   1HG   PRO  40          1HG       PRO  40  -0.719 -10.228   7.447
  278   2HG   PRO  40          2HG       PRO  40  -0.622 -10.676   5.749
  279   1HD   PRO  40          1HD       PRO  40   1.561  -9.943   7.545
  280   2HD   PRO  40          2HD       PRO  40   1.686 -10.513   5.881
  281    H    HIS  41           H        HIS  41   1.964  -5.574   6.102
  282    HA   HIS  41           HA       HIS  41  -0.182  -3.688   6.747
  283   1HB   HIS  41          2HB       HIS  41   1.809  -2.083   6.846
  284   2HB   HIS  41          1HB       HIS  41   1.653  -3.241   8.154
  285    HD1  HIS  41           HD1      HIS  41   4.168  -2.792   5.048
  286    HD2  HIS  41           HD2      HIS  41   3.326  -4.856   8.520
  287    HE1  HIS  41           HE1      HIS  41   5.531  -5.027   5.034
  288    H    ARG  42           H        ARG  42   2.439  -2.706   5.221
  289    HA   ARG  42           HA       ARG  42   3.511  -3.943   3.568
  290   1HB   ARG  42          2HB       ARG  42   0.759  -4.143   2.311
  291   2HB   ARG  42          1HB       ARG  42   2.230  -4.951   1.778
  292   1HG   ARG  42          1HG       ARG  42   2.329  -5.472   4.429
  293   2HG   ARG  42          2HG       ARG  42   0.587  -5.586   4.033
  294   1HD   ARG  42          1HD       ARG  42   2.619  -6.909   2.210
  295   2HD   ARG  42          2HD       ARG  42   1.986  -7.725   3.644
  296    HE   ARG  42           HE       ARG  42   0.044  -6.666   1.716
  297   1HH1  ARG  42          1HH2      ARG  42   1.678  -9.253   0.928
  298   2HH1  ARG  42          2HH2      ARG  42   0.469 -10.435   1.305
  299   1HH2  ARG  42          2HH1      ARG  42  -0.928  -8.540   3.865
  300   2HH2  ARG  42          1HH1      ARG  42  -1.254  -9.872   2.807
  301    H    CYS  43           H        CYS  43   1.300  -1.832   2.762
  302    HA   CYS  43           HA       CYS  43   1.218  -1.479   0.078
  303   1HB   CYS  43          2HB       CYS  43   1.532   1.231   0.783
  304   2HB   CYS  43          1HB       CYS  43   0.048   0.259   0.749
  305    H    GLN  44           H        GLN  44   2.580  -1.635  -1.435
  306    HA   GLN  44           HA       GLN  44   4.844   0.145  -1.333
  307   1HB   GLN  44          2HB       GLN  44   5.045  -2.671  -0.516
  308   2HB   GLN  44          1HB       GLN  44   6.060  -2.405  -1.912
  309   1HG   GLN  44          1HG       GLN  44   7.222  -0.527  -0.738
  310   2HG   GLN  44          2HG       GLN  44   6.168  -0.736   0.657
  311   1HE2  GLN  44          1HE2      GLN  44   7.852  -2.948  -1.550
  312   2HE2  GLN  44          2HE2      GLN  44   8.546  -3.985  -0.318
  313    H    MET  45           H        MET  45   4.678   0.878  -3.811
  314    HA   MET  45           HA       MET  45   2.129   0.566  -3.128
  315   1HB   MET  45          1HB       MET  45   1.444   1.298  -5.534
  316   2HB   MET  45          2HB       MET  45   2.557   2.325  -4.675
  317   1HG   MET  45          1HG       MET  45   3.138   1.762  -7.125
  318   2HG   MET  45          2HG       MET  45   4.433   1.607  -5.943
  319   1HE   MET  45          1HE       MET  45   2.203  -0.707  -8.599
  320   2HE   MET  45          2HE       MET  45   3.313   0.649  -8.797
  321   3HE   MET  45          3HE       MET  45   3.878  -1.009  -9.076
  322    H    PHE  46           H        PHE  46   0.161  -0.447  -3.946
  323    HA   PHE  46           HA       PHE  46   0.654  -2.976  -5.291
  324   1HB   PHE  46          2HB       PHE  46  -1.336  -2.223  -3.684
  325   2HB   PHE  46          1HB       PHE  46  -2.076  -1.628  -5.161
  326    HD1  PHE  46           HD1      PHE  46  -3.823  -3.104  -5.745
  327    HD2  PHE  46           HD2      PHE  46   0.033  -4.710  -4.496
  328    HE1  PHE  46           HE1      PHE  46  -4.643  -5.438  -6.220
  329    HE2  PHE  46           HE2      PHE  46  -0.786  -7.046  -4.969
  330    HZ   PHE  46           HZ       PHE  46  -3.125  -7.408  -5.829
  331    H    CYS  47           H        CYS  47   1.639  -2.501  -7.411
  332    HA   CYS  47           HA       CYS  47  -0.954  -2.419  -8.812
  333   1HB   CYS  47          2HB       CYS  47   0.001  -1.852 -10.915
  334   2HB   CYS  47          1HB       CYS  47   0.605  -0.684  -9.775
  335    H    ASN  48           H        ASN  48  -0.542  -4.739 -10.933
  336    HA   ASN  48           HA       ASN  48  -1.725  -4.796  -8.213
  337   1HB   ASN  48          2HB       ASN  48  -2.746  -3.336 -10.235
  338   2HB   ASN  48          1HB       ASN  48  -3.451  -4.874 -10.717
  339   1HD2  ASN  48           HD2      ASN  48  -3.612  -2.200  -8.458
  340    H    GLN  49           H        GLN  49  -0.472  -7.444  -8.439
  341    HA   GLN  49           HA       GLN  49   0.771  -7.827 -10.369
  342   1HB   GLN  49          2HB       GLN  49  -1.100  -9.709  -9.863
  343   2HB   GLN  49          1HB       GLN  49  -1.728  -9.180 -11.408
  344   1HG   GLN  49          2HG       GLN  49  -0.258 -10.707 -12.291
  345   2HG   GLN  49          1HG       GLN  49   0.954  -9.459 -12.025
  346   1HE2  GLN  49          1HE2      GLN  49   2.583 -11.148 -11.712
  347   2HE2  GLN  49          2HE2      GLN  49   2.892 -11.128  -9.985
  348    H    THR  50           H        THR  50   0.819  -5.542 -11.338
  349    HA   THR  50           HA       THR  50   1.459  -5.128 -13.495
  350    HB   THR  50           HB       THR  50   2.012  -7.687 -13.072
  351    HG1  THR  50           HG1      THR  50   2.248  -7.679 -15.571
  352   1HG2  THR  50          1HG2      THR  50   0.331  -8.281 -15.465
  353   2HG2  THR  50          2HG2      THR  50  -0.576  -8.078 -13.965
  354   3HG2  THR  50          3HG2      THR  50   0.693  -9.298 -14.071
  355    H    ALA  51           H        ALA  51  -0.231  -6.851 -15.939
  356    HA   ALA  51           HA       ALA  51   1.354  -4.718 -16.129
  357   1HB   ALA  51          1HB       ALA  51   0.222  -4.179 -18.455
  358   2HB   ALA  51          2HB       ALA  51  -0.852  -5.525 -18.073
  359   3HB   ALA  51          3HB       ALA  51   0.893  -5.802 -18.231
  360    H    CYS  52           H        CYS  52  -0.480  -3.390 -14.090
  361    HA   CYS  52           HA       CYS  52   0.571  -1.162 -15.373
  362   1HB   CYS  52          2HB       CYS  52   1.682  -0.677 -13.262
  363   2HB   CYS  52          1HB       CYS  52   0.225  -1.540 -12.857
  364    HA   PRO  53           HA       PRO  53   4.395  -1.057 -16.506
  365   1HB   PRO  53          2HB       PRO  53   3.244   0.713 -18.411
  366   2HB   PRO  53          1HB       PRO  53   4.289  -0.651 -18.793
  367   1HG   PRO  53          2HG       PRO  53   1.368  -0.402 -19.118
  368   2HG   PRO  53          1HG       PRO  53   2.457  -1.594 -19.837
  369   1HD   PRO  53          2HD       PRO  53   0.633  -2.042 -17.679
  370   2HD   PRO  53          1HD       PRO  53   1.912  -3.154 -18.201
  371    H    ALA  54           H        ALA  54   4.826   1.237 -16.017
  372    HA   ALA  54           HA       ALA  54   3.096   2.788 -14.714
  373   1HB   ALA  54          1HB       ALA  54   4.591   4.444 -15.065
  374   2HB   ALA  54          2HB       ALA  54   4.181   4.548 -16.774
  375   3HB   ALA  54          3HB       ALA  54   5.406   3.394 -16.223
  376    H    ASP  55           H        ASP  55   1.271   4.527 -15.434
  377    HA   ASP  55           HA       ASP  55   2.270   5.158 -18.104
  378   1HB   ASP  55          2HB       ASP  55  -0.087   3.931 -18.081
  379   2HB   ASP  55          1HB       ASP  55  -0.707   5.473 -17.510
  380    H    CYS  56           H        CYS  56   2.940   6.264 -15.449
  381    HA   CYS  56           HA       CYS  56   1.345   7.877 -14.303
  382   1HB   CYS  56          1HB       CYS  56   4.073   8.993 -14.628
  383   2HB   CYS  56          2HB       CYS  56   3.213   8.403 -13.187
  384    H    ASP  57           H        ASP  57   0.998  10.167 -14.185
  385    HA   ASP  57           HA       ASP  57   0.963  11.519 -16.698
  386   1HB   ASP  57          2HB       ASP  57  -0.521  12.113 -14.702
  387   2HB   ASP  57          1HB       ASP  57   0.894  12.777 -13.895
  388    HA   PRO  58           HA       PRO  58   5.241  12.707 -16.822
  389   1HB   PRO  58          2HB       PRO  58   4.691  14.922 -18.600
  390   2HB   PRO  58          1HB       PRO  58   5.337  13.343 -19.027
  391   1HG   PRO  58          2HG       PRO  58   2.664  14.364 -19.532
  392   2HG   PRO  58          1HG       PRO  58   3.331  12.810 -20.017
  393   1HD   PRO  58          2HD       PRO  58   1.404  13.314 -17.906
  394   2HD   PRO  58          1HD       PRO  58   2.095  11.754 -18.377
  395    H    ASN  59           H        ASN  59   2.669  15.281 -16.565
  396    HA   ASN  59           HA       ASN  59   4.659  17.188 -16.628
  397   1HB   ASN  59          1HB       ASN  59   1.836  17.033 -16.824
  398   2HB   ASN  59          2HB       ASN  59   2.087  18.021 -15.375
  399   1HD2  ASN  59          1HD2      ASN  59   4.712  18.791 -16.632
  400   2HD2  ASN  59          2HD2      ASN  59   4.249  20.375 -17.257
  401    H    THR  60           H        THR  60   2.557  16.268 -14.374
  402    HA   THR  60           HA       THR  60   3.785  17.987 -12.294
  403    HB   THR  60           HB       THR  60   1.311  18.107 -13.186
  404    HG1  THR  60           HG1      THR  60   1.632  19.636 -11.910
  405   1HG2  THR  60          1HG2      THR  60   0.902  15.775 -12.172
  406   2HG2  THR  60          2HG2      THR  60  -0.269  17.043 -11.740
  407   3HG2  THR  60          3HG2      THR  60   1.009  16.565 -10.595
  408    H    GLN  61           H        GLN  61   4.704  15.118 -12.570
  409    HA   GLN  61           HA       GLN  61   2.576  13.556 -11.889
  410   1HB   GLN  61          1HB       GLN  61   4.092  11.635 -11.878
  411   2HB   GLN  61          2HB       GLN  61   4.717  12.786 -13.034
  412   1HG   GLN  61          2HG       GLN  61   5.964  13.581 -10.643
  413   2HG   GLN  61          1HG       GLN  61   5.939  11.825 -10.521
  414   1HE2  GLN  61          1HE2      GLN  61   6.666  10.608 -12.562
  415   2HE2  GLN  61          2HE2      GLN  61   8.349  11.093 -12.665
  416    H    ALA  62           H        ALA  62   2.050  14.970  -9.587
  417    HA   ALA  62           HA       ALA  62   2.426  13.403  -7.502
  418   1HB   ALA  62          1HB       ALA  62   0.595  14.780  -7.140
  419   2HB   ALA  62          2HB       ALA  62  -0.324  13.318  -7.504
  420   3HB   ALA  62          3HB       ALA  62  -0.045  14.522  -8.763
  421    H    SER  63           H        SER  63   2.809  11.634  -9.970
  422    HA   SER  63           HA       SER  63   0.392   9.953  -9.707
  423   1HB   SER  63          2HB       SER  63   0.572  12.152 -11.522
  424   2HB   SER  63          1HB       SER  63   0.738  10.716 -12.532
  425    HG   SER  63           HG       SER  63  -1.145   9.947 -11.653
  426    H    CYS  64           H        CYS  64   3.399   9.588  -9.654
  427    HA   CYS  64           HA       CYS  64   3.268   7.209 -11.400
  428   1HB   CYS  64          2HB       CYS  64   4.829   9.151 -12.321
  429   2HB   CYS  64          1HB       CYS  64   5.894   8.720 -11.012
  430    H    GLU  65           H        GLU  65   2.733   6.005  -9.257
  431    HA   GLU  65           HA       GLU  65   3.688   7.939  -7.341
  432   1HB   GLU  65          1HB       GLU  65   1.308   6.622  -7.746
  433   2HB   GLU  65          2HB       GLU  65   1.936   5.674  -6.419
  434   1HG   GLU  65          2HG       GLU  65   1.273   7.279  -4.962
  435   2HG   GLU  65          1HG       GLU  65   2.416   8.390  -5.708
  436    H    CYS  66           H        CYS  66   5.116   5.377  -8.284
  437    HA   CYS  66           HA       CYS  66   4.936   3.738  -6.039
  438   1HB   CYS  66          1HB       CYS  66   6.106   3.043  -8.766
  439   2HB   CYS  66          2HB       CYS  66   4.969   2.176  -7.774
  440    HA   PRO  67           HA       PRO  67   6.791   2.183  -4.324
  441   1HB   PRO  67          2HB       PRO  67   9.314   0.691  -4.712
  442   2HB   PRO  67          1HB       PRO  67   7.673   0.072  -4.434
  443   1HG   PRO  67          2HG       PRO  67   9.157   0.063  -6.884
  444   2HG   PRO  67          1HG       PRO  67   7.488  -0.437  -6.661
  445   1HD   PRO  67          2HD       PRO  67   8.458   1.999  -7.966
  446   2HD   PRO  67          1HD       PRO  67   6.797   1.420  -7.834
  447    H    GLU  68           H        GLU  68   9.296   1.556  -3.061
  448    HA   GLU  68           HA       GLU  68   9.987   3.664  -1.662
  449   1HB   GLU  68          2HB       GLU  68  12.510   2.539  -2.711
  450   2HB   GLU  68          1HB       GLU  68  11.927   2.569  -1.069
  451   1HG   GLU  68          2HG       GLU  68  10.589   0.557  -1.407
  452   2HG   GLU  68          1HG       GLU  68  10.847   0.606  -3.149
  453    H    GLY  69           H        GLY  69  11.131   3.037  -4.607
  454   1HA   GLY  69          1HA       GLY  69  11.396   5.958  -5.236
  455   2HA   GLY  69          2HA       GLY  69  12.555   4.823  -5.997
  456    H    TYR  70           H        TYR  70   9.653   2.842  -6.865
  457    HA   TYR  70           HA       TYR  70  12.278   2.482  -6.769
  458   1HB   TYR  70          2HB       TYR  70  10.257   1.167  -8.120
  459   2HB   TYR  70          1HB       TYR  70  11.255   1.667  -9.467
  460    HD1  TYR  70           HD1      TYR  70  11.885   0.387  -5.943
  461    HD2  TYR  70           HD2      TYR  70  12.759   0.013 -10.199
  462    HE1  TYR  70           HE1      TYR  70  13.462  -1.511  -5.450
  463    HE2  TYR  70           HE2      TYR  70  14.338  -1.886  -9.709
  464    HH   TYR  70           HH       TYR  70  14.411  -3.699  -7.343
  465    H    ILE  71           H        ILE  71  14.005   2.364  -8.586
  466    HA   ILE  71           HA       ILE  71  13.631   4.632 -10.441
  467    HB   ILE  71           HB       ILE  71  16.037   2.780 -10.244
  468   1HG1  ILE  71          1HG1      ILE  71  15.676   3.779  -8.045
  469   2HG1  ILE  71          2HG1      ILE  71  17.101   4.452  -8.799
  470   1HG2  ILE  71          1HG2      ILE  71  17.246   4.702 -11.287
  471   2HG2  ILE  71          2HG2      ILE  71  15.724   5.584 -11.403
  472   3HG2  ILE  71          3HG2      ILE  71  15.951   4.096 -12.321
  473   1HD1  ILE  71          1HD1      ILE  71  14.656   6.010  -9.431
  474   2HD1  ILE  71          2HD1      ILE  71  16.216   6.573  -8.833
  475   3HD1  ILE  71          3HD1      ILE  71  15.012   5.948  -7.705
  476    H    LEU  72           H        LEU  72  12.208   1.580 -10.742
  477    HA   LEU  72           HA       LEU  72  10.631   2.140 -12.346
  478   1HB   LEU  72          1HB       LEU  72  10.159   3.797 -10.692
  479   2HB   LEU  72          2HB       LEU  72  11.703   4.553 -10.912
  480    HG   LEU  72           HG       LEU  72  10.005   4.686 -13.317
  481   1HD1  LEU  72          1HD1      LEU  72   9.044   6.342 -10.963
  482   2HD1  LEU  72          2HD1      LEU  72   8.345   4.756 -11.283
  483   3HD1  LEU  72          3HD1      LEU  72   8.232   6.034 -12.496
  484   1HD2  LEU  72          1HD2      LEU  72  10.576   7.233 -12.672
  485   2HD2  LEU  72          2HD2      LEU  72  11.790   6.153 -13.387
  486   3HD2  LEU  72          3HD2      LEU  72  11.766   6.429 -11.640
  487    H    ASP  73           H        ASP  73  10.235   3.265 -14.687
  488    HA   ASP  73           HA       ASP  73  12.709   2.365 -15.818
  489   1HB   ASP  73          2HB       ASP  73  11.953   0.675 -13.850
  490   2HB   ASP  73          1HB       ASP  73  10.903   0.031 -15.109
  491    H    ASP  74           H        ASP  74  11.413   0.101 -17.316
  492    HA   ASP  74           HA       ASP  74   9.585  -0.347 -18.701
  493   1HB   ASP  74          2HB       ASP  74   8.473   0.521 -15.990
  494   2HB   ASP  74          1HB       ASP  74   7.488  -0.298 -17.198
  495    H    GLY  75           H        GLY  75   6.887   0.907 -18.177
  496   1HA   GLY  75          2HA       GLY  75   7.054   3.346 -19.588
  497   2HA   GLY  75          1HA       GLY  75   5.697   2.874 -18.531
  498    H    PHE  76           H        PHE  76   8.094   2.640 -16.700
  499    HA   PHE  76           HA       PHE  76   9.248   4.413 -15.266
  500   1HB   PHE  76          2HB       PHE  76   6.540   5.715 -15.777
  501   2HB   PHE  76          1HB       PHE  76   7.380   6.069 -14.295
  502    HD1  PHE  76           HD1      PHE  76   9.498   5.294 -17.222
  503    HD2  PHE  76           HD2      PHE  76   7.511   8.459 -14.976
  504    HE1  PHE  76           HE1      PHE  76  10.896   7.016 -18.413
  505    HE2  PHE  76           HE2      PHE  76   8.913  10.182 -16.158
  506    HZ   PHE  76           HZ       PHE  76  10.604   9.461 -17.881
  507    H    ILE  77           H        ILE  77   8.447   1.826 -14.684
  508    HA   ILE  77           HA       ILE  77   5.815   1.918 -14.891
  509    HB   ILE  77           HB       ILE  77   6.667  -0.076 -15.401
  510   1HG1  ILE  77          1HG1      ILE  77   5.099  -0.420 -12.888
  511   2HG1  ILE  77          2HG1      ILE  77   4.543  -0.546 -14.534
  512   1HG2  ILE  77          1HG2      ILE  77   8.010  -1.500 -13.923
  513   2HG2  ILE  77          2HG2      ILE  77   7.820  -0.323 -12.606
  514   3HG2  ILE  77          3HG2      ILE  77   8.728   0.114 -14.059
  515   1HD1  ILE  77          1HD1      ILE  77   4.756  -2.815 -13.658
  516   2HD1  ILE  77          2HD1      ILE  77   6.404  -2.505 -13.108
  517   3HD1  ILE  77          3HD1      ILE  77   6.049  -2.583 -14.836
  518    H    CYS  78           H        CYS  78   4.017   1.253 -13.702
  519    HA   CYS  78           HA       CYS  78   3.843   2.033 -10.974
  520   1HB   CYS  78          2HB       CYS  78   3.880   4.194 -13.018
  521   2HB   CYS  78          1HB       CYS  78   2.520   4.311 -11.915
  522    H    THR  79           H        THR  79   1.826   3.049 -13.761
  523    HA   THR  79           HA       THR  79  -0.139   1.027 -12.984
  524    HB   THR  79           HB       THR  79  -0.366   3.956 -12.403
  525    HG1  THR  79           HG1      THR  79  -0.557   1.730 -11.174
  526   1HG2  THR  79          1HG2      THR  79  -2.957   3.708 -12.505
  527   2HG2  THR  79          2HG2      THR  79  -2.671   2.384 -13.631
  528   3HG2  THR  79          3HG2      THR  79  -2.128   4.011 -14.034
  529    H    ASP  80           H        ASP  80   0.169   0.303 -15.692
  530    HA   ASP  80           HA       ASP  80  -1.894  -0.402 -16.250
  531   1HB   ASP  80          1HB       ASP  80  -1.336  -0.550 -13.581
  532   2HB   ASP  80          2HB       ASP  80  -2.826   0.405 -13.487
  533    H    ILE  81           H        ILE  81  -4.658   0.510 -15.215
  534    HA   ILE  81           HA       ILE  81  -4.285  -0.033 -17.779
  535    HB   ILE  81           HB       ILE  81  -6.648   1.630 -16.818
  536   1HG1  ILE  81          2HG1      ILE  81  -5.807  -1.159 -16.299
  537   2HG1  ILE  81          1HG1      ILE  81  -6.829  -0.102 -15.355
  538   1HG2  ILE  81          1HG2      ILE  81  -6.581   1.423 -19.286
  539   2HG2  ILE  81          2HG2      ILE  81  -7.920   0.489 -18.621
  540   3HG2  ILE  81          3HG2      ILE  81  -6.450  -0.330 -19.149
  541   1HD1  ILE  81          1HD1      ILE  81  -8.075  -2.088 -16.317
  542   2HD1  ILE  81          2HD1      ILE  81  -7.741  -1.476 -17.937
  543   3HD1  ILE  81          3HD1      ILE  81  -8.757  -0.546 -16.836
  544    H    ASP  82           H        ASP  82  -4.187   0.916 -19.803
  545    HA   ASP  82           HA       ASP  82  -3.347   3.532 -20.200
  546   1HB   ASP  82          2HB       ASP  82  -3.605   1.704 -21.991
  547   2HB   ASP  82          1HB       ASP  82  -5.332   2.046 -22.016
  548    H    GLU  83           H        GLU  83  -4.622   5.352 -21.213
  549    HA   GLU  83           HA       GLU  83  -7.504   5.065 -20.763
  550   1HB   GLU  83          1HB       GLU  83  -5.814   7.408 -19.757
  551   2HB   GLU  83          2HB       GLU  83  -7.542   7.550 -19.972
  552   1HG   GLU  83          1HG       GLU  83  -7.820   5.536 -18.402
  553   2HG   GLU  83          2HG       GLU  83  -6.093   5.638 -18.077
  554    H1   NAG 121           H1       ASN  21 -17.332   0.970   8.817
  555    H2   NAG 121           H2       ASN  21 -15.204  -0.741   7.571
  556    H3   NAG 121           H3       ASN  21 -16.833  -0.782   5.474
  557    H4   NAG 121           H4       ASN  21 -19.161  -1.394   6.175
  558    H5   NAG 121           H5       ASN  21 -19.470  -0.029   8.591
  559   1H6   NAG 121          1H6       ASN  21 -19.208  -2.944   8.955
  560   2H6   NAG 121          2H6       ASN  21 -20.160  -2.533   7.529
  561   1H8   NAG 121          1H8       ASN  21 -13.435   2.532   7.830
  562   2H8   NAG 121          2H8       ASN  21 -14.110   1.069   8.571
  563   3H8   NAG 121          3H8       ASN  21 -12.705   0.950   7.494
  564    HN2  NAG 121           HN2      ASN  21 -16.567   1.731   6.678
  565    HO4  NAG 121           HO4      ASN  21 -18.002   1.019   6.257
  566    HO3  NAG 121           HO3      ASN  21 -17.343  -2.682   7.419
  567    HO6  NAG 121           H6       ASN  21 -20.715  -0.997   9.675
  568    H1   NAG 148           H1       ASN  48  -6.163  -3.208  -7.582
  569    H2   NAG 148           H2       ASN  48  -4.821  -0.532  -7.783
  570    H3   NAG 148           H3       ASN  48  -7.215   0.412  -7.095
  571    H4   NAG 148           H4       ASN  48  -8.954  -0.518  -8.680
  572    H5   NAG 148           H5       ASN  48  -8.169  -3.224  -8.756
  573   1H6   NAG 148          1H6       ASN  48  -7.853  -1.762 -11.313
  574   2H6   NAG 148          2H6       ASN  48  -9.358  -1.381 -10.475
  575   1H8   NAG 148          1H8       ASN  48  -3.476  -0.358  -4.065
  576   2H8   NAG 148          2H8       ASN  48  -5.022  -0.439  -3.199
  577   3H8   NAG 148          3H8       ASN  48  -4.435  -1.850  -4.101
  578    HN2  NAG 148           HN2      ASN  48  -6.041  -2.109  -5.682
  579    HO4  NAG 148           HO4      ASN  48  -9.621  -1.495  -7.056
  580    HO3  NAG 148           HO3      ASN  48  -6.928   1.434  -8.801
  581    HO6  NAG 148           H6       ASN  48  -8.660  -4.013 -10.497
  Start of MODEL    3
    1   1H    HIS   1          1H        HIS   1   0.396 -11.290  28.657
    2   2H    HIS   1          2H        HIS   1  -0.630 -12.039  27.530
    3   3H    HIS   1          3H        HIS   1   0.968 -12.582  27.715
    4    HA   HIS   1           HA       HIS   1   1.388 -10.046  27.198
    5   1HB   HIS   1          1HB       HIS   1   1.548 -12.581  25.739
    6   2HB   HIS   1          2HB       HIS   1   1.223 -11.262  24.637
    7    HD2  HIS   1           HD2      HIS   1   2.998  -8.978  25.274
    8    HE1  HIS   1           HE1      HIS   1   6.293 -11.606  26.096
    9    HE2  HIS   1           HE2      HIS   1   5.656  -9.171  25.552
   10    H    MET   2           H        MET   2  -0.043  -8.460  27.189
   11    HA   MET   2           HA       MET   2  -2.285  -8.545  25.382
   12   1HB   MET   2          1HB       MET   2  -2.312  -6.032  25.736
   13   2HB   MET   2          2HB       MET   2  -2.308  -6.933  27.234
   14   1HG   MET   2          1HG       MET   2   0.084  -6.530  27.561
   15   2HG   MET   2          2HG       MET   2   0.243  -5.841  25.955
   16   1HE   MET   2          1HE       MET   2  -0.190  -5.028  29.667
   17   2HE   MET   2          2HE       MET   2   0.357  -3.378  29.322
   18   3HE   MET   2          3HE       MET   2   1.223  -4.761  28.631
   19    H    GLU   3           H        GLU   3  -1.252  -8.611  22.560
   20    HA   GLU   3           HA       GLU   3  -3.149  -7.012  23.964
   21   1HB   GLU   3          1HB       GLU   3  -1.101  -5.550  22.702
   22   2HB   GLU   3          2HB       GLU   3  -2.428  -5.446  21.549
   23   1HG   GLU   3          1HG       GLU   3  -3.602  -4.009  22.901
   24   2HG   GLU   3          2HG       GLU   3  -3.352  -5.015  24.321
   25    HA   PRO   4           HA       PRO   4  -5.818  -8.962  21.100
   26   1HB   PRO   4          1HB       PRO   4  -7.865  -6.985  21.168
   27   2HB   PRO   4          2HB       PRO   4  -7.744  -8.382  22.231
   28   1HG   PRO   4          1HG       PRO   4  -7.154  -5.551  22.812
   29   2HG   PRO   4          2HG       PRO   4  -7.391  -6.885  23.952
   30   1HD   PRO   4          1HD       PRO   4  -4.912  -5.652  23.264
   31   2HD   PRO   4          2HD       PRO   4  -5.117  -7.149  24.196
   32    H    VAL   5           H        VAL   5  -3.857  -7.354  19.789
   33    HA   VAL   5           HA       VAL   5  -3.857  -4.905  19.670
   34    HB   VAL   5           HB       VAL   5  -4.065  -6.233  16.980
   35   1HG1  VAL   5          1HG1      VAL   5  -3.322  -3.474  17.767
   36   2HG1  VAL   5          2HG1      VAL   5  -2.214  -4.232  16.625
   37   3HG1  VAL   5          3HG1      VAL   5  -3.930  -4.081  16.229
   38   1HG2  VAL   5          1HG2      VAL   5  -1.902  -6.228  19.036
   39   2HG2  VAL   5          2HG2      VAL   5  -2.281  -7.435  17.807
   40   3HG2  VAL   5          3HG2      VAL   5  -1.372  -5.991  17.369
   41    H    ASP   6           H        ASP   6  -4.954  -3.326  19.680
   42    HA   ASP   6           HA       ASP   6  -7.616  -3.245  19.598
   43   1HB   ASP   6          2HB       ASP   6  -5.601  -1.040  19.270
   44   2HB   ASP   6          1HB       ASP   6  -7.308  -0.613  19.292
   45    HA   PRO   7           HA       PRO   7  -8.015  -0.591  15.610
   46   1HB   PRO   7          1HB       PRO   7  -8.701   1.464  17.571
   47   2HB   PRO   7          2HB       PRO   7  -9.629   0.961  16.162
   48   1HG   PRO   7          1HG       PRO   7 -10.102   0.309  18.941
   49   2HG   PRO   7          2HG       PRO   7 -11.075  -0.161  17.529
   50   1HD   PRO   7          1HD       PRO   7  -9.426  -1.875  19.142
   51   2HD   PRO   7          2HD       PRO   7 -10.256  -2.312  17.638
   52    H    CYS   8           H        CYS   8  -6.098  -1.488  16.288
   53    HA   CYS   8           HA       CYS   8  -3.908  -0.995  15.641
   54   1HB   CYS   8          2HB       CYS   8  -4.972   0.380  14.175
   55   2HB   CYS   8          1HB       CYS   8  -5.591   1.473  15.388
   56    H    PHE   9           H        PHE   9  -5.042   0.461  18.334
   57    HA   PHE   9           HA       PHE   9  -3.082   1.751  19.644
   58   1HB   PHE   9          2HB       PHE   9  -4.943   0.637  20.887
   59   2HB   PHE   9          1HB       PHE   9  -4.067  -0.899  20.729
   60    HD1  PHE   9           HD1      PHE   9  -1.705  -1.099  21.770
   61    HD2  PHE   9           HD2      PHE   9  -4.467   2.153  22.675
   62    HE1  PHE   9           HE1      PHE   9  -0.413  -0.587  23.868
   63    HE2  PHE   9           HE2      PHE   9  -3.176   2.666  24.774
   64    HZ   PHE   9           HZ       PHE   9  -1.148   1.297  25.370
   65    H    ARG  10           H        ARG  10  -2.891  -1.284  18.580
   66    HA   ARG  10           HA       ARG  10  -0.039  -1.633  19.432
   67   1HB   ARG  10          2HB       ARG  10  -2.161  -3.358  19.848
   68   2HB   ARG  10          1HB       ARG  10  -1.365  -4.111  18.456
   69   1HG   ARG  10          2HG       ARG  10   0.753  -3.413  20.180
   70   2HG   ARG  10          1HG       ARG  10  -0.492  -3.998  21.250
   71   1HD   ARG  10          1HD       ARG  10  -0.352  -6.195  20.421
   72   2HD   ARG  10          2HD       ARG  10   0.002  -5.646  18.771
   73    HE   ARG  10           HE       ARG  10   2.037  -5.572  20.936
   74   1HH1  ARG  10          2HH1      ARG  10   2.736  -8.153  19.188
   75   2HH1  ARG  10          1HH1      ARG  10   1.721  -7.726  17.851
   76   1HH2  ARG  10          1HH2      ARG  10   2.699  -4.603  17.786
   77   2HH2  ARG  10          2HH2      ARG  10   4.102  -5.458  18.336
   78    H    ALA  11           H        ALA  11  -1.472  -0.702  16.900
   79    HA   ALA  11           HA       ALA  11  -1.077  -2.201  14.707
   80   1HB   ALA  11          1HB       ALA  11  -0.624   0.781  15.031
   81   2HB   ALA  11          2HB       ALA  11  -0.318   0.040  13.458
   82   3HB   ALA  11          3HB       ALA  11  -1.922  -0.056  14.180
   83    H    ASN  12           H        ASN  12   0.804  -2.740  13.134
   84    HA   ASN  12           HA       ASN  12   2.167  -0.241  13.074
   85   1HB   ASN  12          1HB       ASN  12   4.551  -1.373  12.916
   86   2HB   ASN  12          2HB       ASN  12   3.864  -1.154  14.521
   87   1HD2  ASN  12          2HD2      ASN  12   4.901  -3.852  12.226
   88   2HD2  ASN  12          1HD2      ASN  12   3.250  -4.436  12.313
   89    H    CYS  13           H        CYS  13   0.399  -1.581  11.030
   90    HA   CYS  13           HA       CYS  13   1.130  -0.638   8.857
   91   1HB   CYS  13          1HB       CYS  13   0.408   1.436  10.997
   92   2HB   CYS  13          2HB       CYS  13   0.132   1.578   9.254
   93    H    GLU  14           H        GLU  14   3.096  -0.630   8.185
   94    HA   GLU  14           HA       GLU  14   5.258   0.933   8.907
   95   1HB   GLU  14          1HB       GLU  14   4.723  -0.411   6.662
   96   2HB   GLU  14          2HB       GLU  14   4.257   1.166   6.071
   97   1HG   GLU  14          1HG       GLU  14   6.786   1.507   7.402
   98   2HG   GLU  14          2HG       GLU  14   6.931   0.089   6.368
   99    H    TYR  15           H        TYR  15   2.820   2.229   6.570
  100    HA   TYR  15           HA       TYR  15   2.830   4.762   7.917
  101   1HB   TYR  15          2HB       TYR  15   1.834   4.033   5.540
  102   2HB   TYR  15          1HB       TYR  15   0.357   3.745   6.445
  103    HD1  TYR  15           HD1      TYR  15  -1.124   5.527   5.883
  104    HD2  TYR  15           HD2      TYR  15   3.042   6.416   6.827
  105    HE1  TYR  15           HE1      TYR  15  -1.611   7.981   5.705
  106    HE2  TYR  15           HE2      TYR  15   2.556   8.877   6.639
  107    HH   TYR  15           HH       TYR  15  -0.206  10.147   5.227
  108    H    GLN  16           H        GLN  16  -0.190   4.490   7.921
  109    HA   GLN  16           HA       GLN  16  -0.251   3.405  10.711
  110   1HB   GLN  16          1HB       GLN  16  -0.791   6.005  10.023
  111   2HB   GLN  16          2HB       GLN  16  -2.417   5.326  10.003
  112   1HG   GLN  16          1HG       GLN  16  -2.179   4.579  12.332
  113   2HG   GLN  16          2HG       GLN  16  -0.474   5.012  12.350
  114   1HE2  GLN  16          2HE2      GLN  16  -3.454   6.657  11.180
  115   2HE2  GLN  16          1HE2      GLN  16  -2.811   8.250  11.529
  116    H    CYS  17           H        CYS  17  -2.869   3.845  11.054
  117    HA   CYS  17           HA       CYS  17  -3.724   1.190  10.037
  118   1HB   CYS  17          1HB       CYS  17  -5.497   1.635  12.082
  119   2HB   CYS  17          2HB       CYS  17  -3.936   0.876  12.278
  120    H    GLN  18           H        GLN  18  -5.510   1.273   8.249
  121    HA   GLN  18           HA       GLN  18  -7.858   2.068   9.698
  122   1HB   GLN  18          1HB       GLN  18  -7.210   0.467   7.463
  123   2HB   GLN  18          2HB       GLN  18  -7.776  -0.700   8.653
  124   1HG   GLN  18          1HG       GLN  18  -9.677   0.095   7.267
  125   2HG   GLN  18          2HG       GLN  18  -9.894   0.672   8.915
  126   1HE2  GLN  18          2HE2      GLN  18  -7.606   1.824   6.448
  127   2HE2  GLN  18          1HE2      GLN  18  -8.013   3.516   6.643
  128    HA   PRO  19           HA       PRO  19  -8.378  -1.562  12.242
  129   1HB   PRO  19          1HB       PRO  19 -10.818  -0.101  12.853
  130   2HB   PRO  19          2HB       PRO  19  -9.730  -0.965  13.936
  131   1HG   PRO  19          1HG       PRO  19  -9.939   1.819  13.800
  132   2HG   PRO  19          2HG       PRO  19  -8.550   0.934  14.461
  133   1HD   PRO  19          1HD       PRO  19  -8.750   2.380  11.868
  134   2HD   PRO  19          2HD       PRO  19  -7.316   1.961  12.823
  135    H    LEU  20           H        LEU  20  -8.565  -1.844   9.457
  136    HA   LEU  20           HA       LEU  20  -9.268  -4.048  10.362
  137   1HB   LEU  20          1HB       LEU  20 -10.962  -3.690  11.813
  138   2HB   LEU  20          2HB       LEU  20 -11.796  -2.542  10.785
  139    HG   LEU  20           HG       LEU  20 -11.672  -5.203   9.588
  140   1HD1  LEU  20          1HD1      LEU  20 -11.713  -6.153  11.775
  141   2HD1  LEU  20          2HD1      LEU  20 -12.800  -4.909  12.390
  142   3HD1  LEU  20          3HD1      LEU  20 -13.406  -6.134  11.277
  143   1HD2  LEU  20          1HD2      LEU  20 -13.256  -3.055   9.241
  144   2HD2  LEU  20          2HD2      LEU  20 -13.819  -4.691   8.900
  145   3HD2  LEU  20          3HD2      LEU  20 -14.246  -3.912  10.422
  146    H    ASN  21           H        ASN  21 -11.313  -2.245   8.860
  147    HA   ASN  21           HA       ASN  21 -13.017  -3.216   7.220
  148   1HB   ASN  21          1HB       ASN  21 -11.239  -0.936   6.539
  149   2HB   ASN  21          2HB       ASN  21 -11.995  -1.680   5.111
  150   1HD2  ASN  21           HD2      ASN  21 -12.458   0.932   6.232
  151    H    GLN  22           H        GLN  22 -13.260  -4.992   6.247
  152    HA   GLN  22           HA       GLN  22 -12.980  -6.624   4.663
  153   1HB   GLN  22          1HB       GLN  22 -11.658  -4.446   3.509
  154   2HB   GLN  22          2HB       GLN  22 -10.388  -5.646   3.558
  155   1HG   GLN  22          1HG       GLN  22 -11.284  -6.678   1.735
  156   2HG   GLN  22          2HG       GLN  22 -12.781  -6.966   2.617
  157   1HE2  GLN  22          1HE2      GLN  22 -13.715  -6.715   0.528
  158   2HE2  GLN  22          2HE2      GLN  22 -14.113  -5.120  -0.084
  159    H    THR  23           H        THR  23 -10.063  -5.363   6.234
  160    HA   THR  23           HA       THR  23  -8.871  -7.955   5.881
  161    HB   THR  23           HB       THR  23  -7.514  -5.634   7.306
  162    HG1  THR  23           HG1      THR  23  -8.628  -5.470   5.014
  163   1HG2  THR  23          1HG2      THR  23  -5.475  -6.589   6.630
  164   2HG2  THR  23          2HG2      THR  23  -6.445  -8.049   6.826
  165   3HG2  THR  23          3HG2      THR  23  -6.183  -7.373   5.218
  166    H    SER  24           H        SER  24 -10.134  -6.121   8.299
  167    HA   SER  24           HA       SER  24  -9.770  -5.904  10.544
  168   1HB   SER  24          1HB       SER  24  -9.706  -7.797  11.940
  169   2HB   SER  24          2HB       SER  24 -10.764  -8.094  10.565
  170    HG   SER  24           HG       SER  24  -9.090  -9.713  11.295
  171    H    TYR  25           H        TYR  25  -8.083  -5.366  11.784
  172    HA   TYR  25           HA       TYR  25  -7.509  -3.783   9.672
  173   1HB   TYR  25          2HB       TYR  25  -6.755  -2.180  11.358
  174   2HB   TYR  25          1HB       TYR  25  -7.586  -3.384  12.323
  175    HD1  TYR  25           HD1      TYR  25  -6.017  -5.493  13.078
  176    HD2  TYR  25           HD2      TYR  25  -4.670  -1.454  12.145
  177    HE1  TYR  25           HE1      TYR  25  -3.855  -5.937  14.290
  178    HE2  TYR  25           HE2      TYR  25  -2.507  -1.893  13.350
  179    HH   TYR  25           HH       TYR  25  -1.542  -3.454  15.002
  180    H    LEU  26           H        LEU  26  -5.687  -2.617   9.187
  181    HA   LEU  26           HA       LEU  26  -4.561  -4.839   7.625
  182   1HB   LEU  26          2HB       LEU  26  -5.168  -3.529   5.655
  183   2HB   LEU  26          1HB       LEU  26  -6.470  -3.995   6.755
  184    HG   LEU  26           HG       LEU  26  -5.807  -1.495   7.697
  185   1HD1  LEU  26          1HD1      LEU  26  -5.184  -0.163   5.953
  186   2HD1  LEU  26          2HD1      LEU  26  -4.777  -1.658   5.096
  187   3HD1  LEU  26          3HD1      LEU  26  -6.365  -0.925   4.868
  188   1HD2  LEU  26          1HD2      LEU  26  -8.081  -1.017   6.473
  189   2HD2  LEU  26          2HD2      LEU  26  -7.951  -2.679   5.903
  190   3HD2  LEU  26          3HD2      LEU  26  -8.052  -2.373   7.628
  191    H    CYS  27           H        CYS  27  -3.590  -2.386   5.880
  192    HA   CYS  27           HA       CYS  27  -3.056  -0.502   7.942
  193   1HB   CYS  27          1HB       CYS  27  -0.735  -2.111   6.969
  194   2HB   CYS  27          2HB       CYS  27  -0.427  -0.408   7.369
  195    H    VAL  28           H        VAL  28  -1.751   1.589   6.983
  196    HA   VAL  28           HA       VAL  28  -4.180   1.950   5.596
  197    HB   VAL  28           HB       VAL  28  -1.890   3.758   6.346
  198   1HG1  VAL  28          1HG2      VAL  28  -4.447   4.676   4.955
  199   2HG1  VAL  28          2HG2      VAL  28  -3.377   5.786   5.811
  200   3HG1  VAL  28          3HG2      VAL  28  -2.787   4.897   4.404
  201   1HG2  VAL  28          1HG1      VAL  28  -3.099   4.454   8.221
  202   2HG2  VAL  28          2HG1      VAL  28  -4.657   4.220   7.452
  203   3HG2  VAL  28          3HG1      VAL  28  -3.762   2.816   8.012
  204    H    CYS  29           H        CYS  29  -1.216   1.481   4.373
  205    HA   CYS  29           HA       CYS  29  -0.388   3.946   3.989
  206   1HB   CYS  29          1HB       CYS  29   0.296   1.458   2.455
  207   2HB   CYS  29          2HB       CYS  29   0.939   2.915   1.754
  208    H    ALA  30           H        ALA  30   0.448   4.574   2.175
  209    HA   ALA  30           HA       ALA  30  -1.339   6.642   1.860
  210   1HB   ALA  30          1HB       ALA  30   1.290   6.298   0.360
  211   2HB   ALA  30          2HB       ALA  30   0.325   7.761   0.158
  212   3HB   ALA  30          3HB       ALA  30   0.948   7.329   1.750
  213    H    GLU  31           H        GLU  31  -3.316   6.314   0.714
  214    HA   GLU  31           HA       GLU  31  -3.525   3.975  -0.439
  215   1HB   GLU  31          1HB       GLU  31  -5.268   5.916   0.093
  216   2HB   GLU  31          2HB       GLU  31  -5.222   6.158  -1.633
  217   1HG   GLU  31          1HG       GLU  31  -5.571   3.472  -1.634
  218   2HG   GLU  31          2HG       GLU  31  -6.254   3.812  -0.045
  219    H    GLY  32           H        GLY  32  -4.023   3.196  -2.621
  220   1HA   GLY  32          1HA       GLY  32  -2.535   2.288  -4.144
  221   2HA   GLY  32          2HA       GLY  32  -2.308   3.969  -4.716
  222    H    PHE  33           H        PHE  33  -1.597   3.057  -1.384
  223    HA   PHE  33           HA       PHE  33   0.870   1.788  -2.190
  224   1HB   PHE  33          2HB       PHE  33   0.705   4.223  -0.373
  225   2HB   PHE  33          1HB       PHE  33   1.900   2.969   0.013
  226    HD1  PHE  33           HD1      PHE  33   0.895   5.574  -2.446
  227    HD2  PHE  33           HD2      PHE  33   3.832   2.518  -1.427
  228    HE1  PHE  33           HE1      PHE  33   2.470   6.513  -4.175
  229    HE2  PHE  33           HE2      PHE  33   5.412   3.460  -3.147
  230    HZ   PHE  33           HZ       PHE  33   4.739   5.471  -4.505
  231    H    ALA  34           H        ALA  34   1.115  -0.120  -0.938
  232    HA   ALA  34           HA       ALA  34  -0.719  -0.842   1.042
  233   1HB   ALA  34          1HB       ALA  34  -2.790  -0.530   0.087
  234   2HB   ALA  34          2HB       ALA  34  -2.035   0.094  -1.380
  235   3HB   ALA  34          3HB       ALA  34  -2.348  -1.636  -1.210
  236    HA   PRO  35           HA       PRO  35   1.409  -3.944   1.381
  237   1HB   PRO  35          1HB       PRO  35  -0.351  -6.272   1.046
  238   2HB   PRO  35          2HB       PRO  35   0.285  -5.592   2.537
  239   1HG   PRO  35          1HG       PRO  35  -2.404  -5.357   1.532
  240   2HG   PRO  35          2HG       PRO  35  -1.746  -4.605   2.979
  241   1HD   PRO  35          2HD       PRO  35  -2.452  -3.291   0.492
  242   2HD   PRO  35          1HD       PRO  35  -1.741  -2.544   1.932
  243    H    ILE  36           H        ILE  36   2.393  -3.397  -0.776
  244    HA   ILE  36           HA       ILE  36   3.208  -5.168  -2.531
  245    HB   ILE  36           HB       ILE  36   4.864  -3.731  -1.631
  246   1HG1  ILE  36          1HG1      ILE  36   5.499  -6.418  -1.929
  247   2HG1  ILE  36          2HG1      ILE  36   6.591  -5.056  -1.928
  248   1HG2  ILE  36          1HG2      ILE  36   4.255  -4.997   1.050
  249   2HG2  ILE  36          2HG2      ILE  36   5.637  -3.934   0.786
  250   3HG2  ILE  36          3HG2      ILE  36   3.995  -3.322   0.560
  251   1HD1  ILE  36          1HD1      ILE  36   7.070  -6.978  -0.273
  252   2HD1  ILE  36          2HD1      ILE  36   7.086  -5.330   0.394
  253   3HD1  ILE  36          3HD1      ILE  36   5.677  -6.372   0.645
  254    HA   PRO  37           HA       PRO  37   2.630  -9.478  -1.528
  255   1HB   PRO  37          1HB       PRO  37   5.470  -9.661  -2.448
  256   2HB   PRO  37          2HB       PRO  37   4.076 -10.592  -2.981
  257   1HG   PRO  37          1HG       PRO  37   5.213  -8.406  -4.374
  258   2HG   PRO  37          2HG       PRO  37   3.598  -9.041  -4.666
  259   1HD   PRO  37          1HD       PRO  37   4.309  -6.486  -3.499
  260   2HD   PRO  37          2HD       PRO  37   2.680  -7.107  -3.796
  261    H    HIS  38           H        HIS  38   4.530 -11.248  -0.576
  262    HA   HIS  38           HA       HIS  38   3.315 -11.798   1.376
  263   1HB   HIS  38          1HB       HIS  38   4.963 -11.623   3.263
  264   2HB   HIS  38          2HB       HIS  38   5.494 -12.480   1.808
  265    HD1  HIS  38           HD1      HIS  38   7.194 -10.714   4.218
  266    HD2  HIS  38           HD2      HIS  38   6.588  -9.944   0.102
  267    HE1  HIS  38           HE1      HIS  38   9.089  -9.143   3.482
  268    H    GLU  39           H        GLU  39   4.930  -9.463   2.903
  269    HA   GLU  39           HA       GLU  39   3.343  -9.737   4.989
  270   1HB   GLU  39          2HB       GLU  39   4.407  -6.940   4.507
  271   2HB   GLU  39          1HB       GLU  39   4.305  -7.777   6.068
  272   1HG   GLU  39          2HG       GLU  39   5.975  -9.492   5.048
  273   2HG   GLU  39          1HG       GLU  39   6.214  -8.307   3.765
  274    HA   PRO  40           HA       PRO  40  -0.469  -7.383   4.362
  275   1HB   PRO  40          1HB       PRO  40  -1.376  -8.637   6.808
  276   2HB   PRO  40          2HB       PRO  40  -1.979  -8.916   5.179
  277   1HG   PRO  40          1HG       PRO  40  -0.374 -10.707   6.774
  278   2HG   PRO  40          2HG       PRO  40  -0.932 -10.963   5.126
  279   1HD   PRO  40          1HD       PRO  40   1.757 -10.279   6.045
  280   2HD   PRO  40          2HD       PRO  40   1.249 -10.687   4.395
  281    H    HIS  41           H        HIS  41   1.832  -5.991   5.380
  282    HA   HIS  41           HA       HIS  41  -0.513  -4.524   6.314
  283   1HB   HIS  41          2HB       HIS  41   1.113  -2.904   7.577
  284   2HB   HIS  41          1HB       HIS  41   0.792  -4.458   8.353
  285    HD1  HIS  41           HD1      HIS  41   2.813  -6.444   7.103
  286    HD2  HIS  41           HD2      HIS  41   3.639  -2.361   7.845
  287    HE1  HIS  41           HE1      HIS  41   5.372  -6.203   7.074
  288    H    ARG  42           H        ARG  42   1.737  -4.774   4.071
  289    HA   ARG  42           HA       ARG  42   2.905  -2.193   4.711
  290   1HB   ARG  42          1HB       ARG  42   3.774  -4.397   2.885
  291   2HB   ARG  42          2HB       ARG  42   4.360  -2.821   2.452
  292   1HG   ARG  42          1HG       ARG  42   5.622  -2.530   4.359
  293   2HG   ARG  42          2HG       ARG  42   4.552  -3.532   5.343
  294   1HD   ARG  42          1HD       ARG  42   5.730  -5.487   4.827
  295   2HD   ARG  42          2HD       ARG  42   6.077  -4.966   3.165
  296    HE   ARG  42           HE       ARG  42   7.666  -4.395   5.545
  297   1HH1  ARG  42          2HH1      ARG  42   6.955  -2.101   3.340
  298   2HH1  ARG  42          1HH1      ARG  42   8.509  -2.033   2.578
  299   1HH2  ARG  42          1HH2      ARG  42   9.572  -5.135   3.808
  300   2HH2  ARG  42          2HH2      ARG  42   9.799  -3.979   2.536
  301    H    CYS  43           H        CYS  43   3.365  -0.375   3.144
  302    HA   CYS  43           HA       CYS  43   2.144  -0.854   0.540
  303   1HB   CYS  43          2HB       CYS  43   3.344   1.529   0.234
  304   2HB   CYS  43          1HB       CYS  43   1.831   1.295   1.088
  305    H    GLN  44           H        GLN  44   3.353  -0.834  -1.413
  306    HA   GLN  44           HA       GLN  44   5.846   0.258  -1.604
  307   1HB   GLN  44          2HB       GLN  44   5.985  -2.492  -0.546
  308   2HB   GLN  44          1HB       GLN  44   6.857  -2.357  -2.055
  309   1HG   GLN  44          1HG       GLN  44   8.098  -0.345  -1.092
  310   2HG   GLN  44          2HG       GLN  44   7.308  -0.657   0.450
  311   1HE2  GLN  44          2HE2      GLN  44   7.604  -3.867  -0.012
  312   2HE2  GLN  44          1HE2      GLN  44   8.453  -3.409   1.453
  313    H    MET  45           H        MET  45   5.396   0.673  -4.269
  314    HA   MET  45           HA       MET  45   3.236   0.987  -2.760
  315   1HB   MET  45          1HB       MET  45   1.881   1.421  -4.990
  316   2HB   MET  45          2HB       MET  45   3.281   2.406  -4.645
  317   1HG   MET  45          1HG       MET  45   3.238   1.558  -7.010
  318   2HG   MET  45          2HG       MET  45   4.688   1.083  -6.143
  319   1HE   MET  45          1HE       MET  45   3.479  -0.476  -8.912
  320   2HE   MET  45          2HE       MET  45   2.044  -1.428  -8.512
  321   3HE   MET  45          3HE       MET  45   2.031   0.332  -8.289
  322    H    PHE  46           H        PHE  46   0.814   0.079  -2.699
  323    HA   PHE  46           HA       PHE  46   0.283  -2.226  -4.054
  324   1HB   PHE  46          2HB       PHE  46  -1.539  -1.081  -2.943
  325   2HB   PHE  46          1HB       PHE  46  -1.229   0.420  -3.786
  326    HD1  PHE  46           HD1      PHE  46  -2.469  -3.105  -4.310
  327    HD2  PHE  46           HD2      PHE  46  -2.412   0.998  -5.776
  328    HE1  PHE  46           HE1      PHE  46  -4.268  -3.680  -5.975
  329    HE2  PHE  46           HE2      PHE  46  -4.205   0.427  -7.448
  330    HZ   PHE  46           HZ       PHE  46  -5.131  -1.913  -7.550
  331    H    CYS  47           H        CYS  47   1.465  -2.615  -6.297
  332    HA   CYS  47           HA       CYS  47  -1.266  -2.421  -6.997
  333   1HB   CYS  47          2HB       CYS  47   0.186  -0.414  -8.238
  334   2HB   CYS  47          1HB       CYS  47   0.300  -1.678  -9.441
  335    H    ASN  48           H        ASN  48  -1.574  -4.672  -7.222
  336    HA   ASN  48           HA       ASN  48  -0.760  -4.949 -10.029
  337   1HB   ASN  48          2HB       ASN  48  -1.217  -7.598  -9.532
  338   2HB   ASN  48          1HB       ASN  48   0.383  -6.887  -9.449
  339   1HD2  ASN  48           HD2      ASN  48  -2.540  -7.177  -7.381
  340    H    GLN  49           H        GLN  49  -3.033  -3.546  -9.609
  341    HA   GLN  49           HA       GLN  49  -3.517  -5.088 -11.912
  342   1HB   GLN  49          2HB       GLN  49  -6.030  -5.435 -11.609
  343   2HB   GLN  49          1HB       GLN  49  -5.034  -6.440 -10.585
  344   1HG   GLN  49          2HG       GLN  49  -5.326  -4.367  -8.870
  345   2HG   GLN  49          1HG       GLN  49  -6.785  -4.104  -9.822
  346   1HE2  GLN  49          2HE2      GLN  49  -6.080  -5.162  -7.041
  347   2HE2  GLN  49          1HE2      GLN  49  -6.604  -6.833  -6.938
  348    H    THR  50           H        THR  50  -6.496  -3.264 -11.308
  349    HA   THR  50           HA       THR  50  -5.264  -2.672 -13.918
  350    HB   THR  50           HB       THR  50  -8.008  -2.540 -14.338
  351    HG1  THR  50           HG1      THR  50  -8.811  -3.191 -12.591
  352   1HG2  THR  50          1HG2      THR  50  -6.774  -3.975 -15.784
  353   2HG2  THR  50          2HG2      THR  50  -7.757  -5.112 -14.861
  354   3HG2  THR  50          3HG2      THR  50  -6.060  -4.874 -14.445
  355    H    ALA  51           H        ALA  51  -8.120  -1.033 -12.061
  356    HA   ALA  51           HA       ALA  51  -7.427   0.575 -10.538
  357   1HB   ALA  51          1HB       ALA  51  -6.418  -1.815 -10.002
  358   2HB   ALA  51          2HB       ALA  51  -5.770  -0.437  -9.108
  359   3HB   ALA  51          3HB       ALA  51  -4.872  -1.103 -10.470
  360    H    CYS  52           H        CYS  52  -4.523   1.051  -9.916
  361    HA   CYS  52           HA       CYS  52  -3.646   3.094 -11.490
  362   1HB   CYS  52          1HB       CYS  52  -1.378   2.465 -10.909
  363   2HB   CYS  52          2HB       CYS  52  -2.356   1.869  -9.584
  364    HA   PRO  53           HA       PRO  53  -1.810   1.472 -15.149
  365   1HB   PRO  53          2HB       PRO  53  -1.876   3.830 -16.541
  366   2HB   PRO  53          1HB       PRO  53  -3.236   2.704 -16.649
  367   1HG   PRO  53          2HG       PRO  53  -2.921   5.187 -14.990
  368   2HG   PRO  53          1HG       PRO  53  -4.376   4.604 -15.841
  369   1HD   PRO  53          2HD       PRO  53  -3.861   4.299 -13.064
  370   2HD   PRO  53          1HD       PRO  53  -5.005   3.290 -13.975
  371    H    ALA  54           H        ALA  54   0.378   1.728 -14.531
  372    HA   ALA  54           HA       ALA  54   2.142   3.273 -15.499
  373   1HB   ALA  54          1HB       ALA  54   2.079   2.101 -17.499
  374   2HB   ALA  54          2HB       ALA  54   0.486   2.735 -17.918
  375   3HB   ALA  54          3HB       ALA  54   0.631   1.340 -16.850
  376    H    ASP  55           H        ASP  55   1.502   4.310 -18.156
  377    HA   ASP  55           HA       ASP  55   1.697   6.465 -18.810
  378   1HB   ASP  55          2HB       ASP  55  -0.497   6.093 -19.556
  379   2HB   ASP  55          1HB       ASP  55  -1.119   5.880 -17.931
  380    H    CYS  56           H        CYS  56   3.083   6.282 -16.444
  381    HA   CYS  56           HA       CYS  56   3.313   8.341 -14.984
  382   1HB   CYS  56          2HB       CYS  56   5.102   8.278 -17.412
  383   2HB   CYS  56          1HB       CYS  56   5.469   8.282 -15.680
  384    H    ASP  57           H        ASP  57   4.388  10.834 -15.987
  385    HA   ASP  57           HA       ASP  57   1.476  11.245 -15.829
  386   1HB   ASP  57          1HB       ASP  57   2.528   9.781 -13.861
  387   2HB   ASP  57          2HB       ASP  57   3.155  11.320 -13.281
  388    HA   PRO  58           HA       PRO  58   1.928  13.589 -17.861
  389   1HB   PRO  58          2HB       PRO  58   0.923  16.251 -17.224
  390   2HB   PRO  58          1HB       PRO  58   0.082  14.938 -18.039
  391   1HG   PRO  58          2HG       PRO  58  -0.327  15.860 -15.329
  392   2HG   PRO  58          1HG       PRO  58  -1.148  14.533 -16.141
  393   1HD   PRO  58          2HD       PRO  58   0.865  14.344 -14.054
  394   2HD   PRO  58          1HD       PRO  58   0.048  13.008 -14.883
  395    H    ASN  59           H        ASN  59   3.028  15.600 -15.171
  396    HA   ASN  59           HA       ASN  59   4.730  17.045 -17.020
  397   1HB   ASN  59          1HB       ASN  59   3.745  18.464 -15.279
  398   2HB   ASN  59          2HB       ASN  59   4.235  17.314 -14.013
  399   1HD2  ASN  59          1HD2      ASN  59   6.508  16.928 -13.701
  400   2HD2  ASN  59          2HD2      ASN  59   7.469  18.390 -13.573
  401    H    THR  60           H        THR  60   4.892  14.698 -14.827
  402    HA   THR  60           HA       THR  60   7.695  15.286 -14.171
  403    HB   THR  60           HB       THR  60   7.453  14.017 -12.081
  404    HG1  THR  60           HG1      THR  60   5.551  12.754 -11.853
  405   1HG2  THR  60          1HG2      THR  60   4.725  15.255 -12.731
  406   2HG2  THR  60          2HG2      THR  60   6.113  16.148 -12.108
  407   3HG2  THR  60          3HG2      THR  60   5.347  14.909 -11.116
  408    H    GLN  61           H        GLN  61   6.466  13.328 -16.270
  409    HA   GLN  61           HA       GLN  61   6.352  10.892 -16.472
  410   1HB   GLN  61          1HB       GLN  61   8.513  12.356 -17.684
  411   2HB   GLN  61          2HB       GLN  61   9.122  10.760 -17.334
  412   1HG   GLN  61          2HG       GLN  61   7.996   9.936 -19.131
  413   2HG   GLN  61          1HG       GLN  61   6.464  10.440 -18.420
  414   1HE2  GLN  61          2HE2      GLN  61   9.052  11.569 -20.799
  415   2HE2  GLN  61          1HE2      GLN  61   7.585  11.508 -21.757
  416    H    ALA  62           H        ALA  62   9.000   9.395 -16.404
  417    HA   ALA  62           HA       ALA  62   9.106   7.449 -15.083
  418   1HB   ALA  62          1HB       ALA  62  10.956   8.656 -14.148
  419   2HB   ALA  62          2HB       ALA  62  10.021   8.188 -12.727
  420   3HB   ALA  62          3HB       ALA  62   9.896   9.826 -13.360
  421    H    SER  63           H        SER  63   8.408   9.030 -12.434
  422    HA   SER  63           HA       SER  63   6.622   8.778 -10.775
  423   1HB   SER  63          2HB       SER  63   5.869  10.398 -13.126
  424   2HB   SER  63          1HB       SER  63   4.443   9.707 -12.359
  425    HG   SER  63           HG       SER  63   4.775  11.441 -11.245
  426    H    CYS  64           H        CYS  64   7.167   6.367 -11.771
  427    HA   CYS  64           HA       CYS  64   4.480   5.198 -11.932
  428   1HB   CYS  64          2HB       CYS  64   6.560   5.110 -14.132
  429   2HB   CYS  64          1HB       CYS  64   5.609   3.664 -13.872
  430    H    GLU  65           H        GLU  65   4.782   3.702  -9.909
  431    HA   GLU  65           HA       GLU  65   7.358   4.989  -9.528
  432   1HB   GLU  65          1HB       GLU  65   5.027   5.520  -8.378
  433   2HB   GLU  65          2HB       GLU  65   5.415   4.197  -7.310
  434   1HG   GLU  65          2HG       GLU  65   6.157   6.215  -6.196
  435   2HG   GLU  65          1HG       GLU  65   7.599   5.348  -6.719
  436    H    CYS  66           H        CYS  66   6.474   1.974  -9.717
  437    HA   CYS  66           HA       CYS  66   6.619   1.016  -7.201
  438   1HB   CYS  66          1HB       CYS  66   6.936  -1.014  -9.331
  439   2HB   CYS  66          2HB       CYS  66   5.580  -0.700  -8.245
  440    HA   PRO  67           HA       PRO  67   9.162   0.775  -5.353
  441   1HB   PRO  67          1HB       PRO  67   9.751  -1.663  -4.055
  442   2HB   PRO  67          2HB       PRO  67   8.280  -0.694  -3.870
  443   1HG   PRO  67          2HG       PRO  67   8.606  -3.241  -5.330
  444   2HG   PRO  67          1HG       PRO  67   7.130  -2.451  -4.790
  445   1HD   PRO  67          2HD       PRO  67   8.150  -2.505  -7.489
  446   2HD   PRO  67          1HD       PRO  67   6.764  -1.577  -6.904
  447    H    GLU  68           H        GLU  68  10.486  -2.108  -5.584
  448    HA   GLU  68           HA       GLU  68  12.789  -1.155  -4.547
  449   1HB   GLU  68          2HB       GLU  68  11.902  -3.819  -5.261
  450   2HB   GLU  68          1HB       GLU  68  13.632  -3.723  -5.486
  451   1HG   GLU  68          2HG       GLU  68  13.855  -2.793  -3.137
  452   2HG   GLU  68          1HG       GLU  68  12.120  -3.000  -2.924
  453    H    GLY  69           H        GLY  69  12.587  -0.070  -7.393
  454   1HA   GLY  69          2HA       GLY  69  14.444  -0.266  -9.157
  455   2HA   GLY  69          1HA       GLY  69  14.440  -1.993  -8.711
  456    H    TYR  70           H        TYR  70  10.947  -0.656  -9.180
  457    HA   TYR  70           HA       TYR  70  10.440   0.642 -10.968
  458   1HB   TYR  70          2HB       TYR  70  11.740   2.768 -10.773
  459   2HB   TYR  70          1HB       TYR  70  11.292   2.103  -9.216
  460    HD1  TYR  70           HD1      TYR  70  14.166   1.864 -11.712
  461    HD2  TYR  70           HD2      TYR  70  12.914   2.049  -7.535
  462    HE1  TYR  70           HE1      TYR  70  16.565   1.791 -10.994
  463    HE2  TYR  70           HE2      TYR  70  15.324   1.992  -6.815
  464    HH   TYR  70           HH       TYR  70  17.896   2.606  -8.813
  465    H    ILE  71           H        ILE  71  13.272  -1.242 -11.952
  466    HA   ILE  71           HA       ILE  71  11.964  -0.509 -14.436
  467    HB   ILE  71           HB       ILE  71  13.455  -2.909 -13.368
  468   1HG1  ILE  71          1HG1      ILE  71  13.931  -1.581 -16.024
  469   2HG1  ILE  71          2HG1      ILE  71  14.405  -0.748 -14.562
  470   1HG2  ILE  71          1HG2      ILE  71  13.008  -3.771 -15.904
  471   2HG2  ILE  71          2HG2      ILE  71  11.464  -2.971 -15.603
  472   3HG2  ILE  71          3HG2      ILE  71  12.008  -4.269 -14.539
  473   1HD1  ILE  71          1HD1      ILE  71  15.255  -3.634 -15.089
  474   2HD1  ILE  71          2HD1      ILE  71  15.949  -2.499 -13.930
  475   3HD1  ILE  71          3HD1      ILE  71  16.204  -2.261 -15.659
  476    H    LEU  72           H        LEU  72   9.839  -0.506 -12.226
  477    HA   LEU  72           HA       LEU  72   8.049  -0.076 -13.598
  478   1HB   LEU  72          2HB       LEU  72  10.413   0.938 -14.536
  479   2HB   LEU  72          1HB       LEU  72  10.081  -0.155 -15.857
  480    HG   LEU  72           HG       LEU  72   8.657   1.174 -16.823
  481   1HD1  LEU  72          1HD2      LEU  72   6.688   2.181 -15.701
  482   2HD1  LEU  72          2HD2      LEU  72   7.359   1.709 -14.132
  483   3HD1  LEU  72          3HD2      LEU  72   6.881   0.472 -15.295
  484   1HD2  LEU  72          1HD1      LEU  72  10.169   2.893 -14.996
  485   2HD2  LEU  72          2HD1      LEU  72   8.616   3.605 -15.434
  486   3HD2  LEU  72          3HD1      LEU  72   9.758   3.139 -16.692
  487    H    ASP  73           H        ASP  73   6.431  -1.167 -15.314
  488    HA   ASP  73           HA       ASP  73   6.996  -3.885 -14.627
  489   1HB   ASP  73          2HB       ASP  73   7.210  -2.006 -12.474
  490   2HB   ASP  73          1HB       ASP  73   5.657  -2.801 -12.238
  491    H    ASP  74           H        ASP  74   4.666  -4.929 -13.711
  492    HA   ASP  74           HA       ASP  74   4.831  -5.377 -16.315
  493   1HB   ASP  74          2HB       ASP  74   3.205  -6.440 -14.284
  494   2HB   ASP  74          1HB       ASP  74   2.030  -5.948 -15.500
  495    H    GLY  75           H        GLY  75   4.881  -2.953 -16.883
  496   1HA   GLY  75          2HA       GLY  75   3.509  -2.989 -19.189
  497   2HA   GLY  75          1HA       GLY  75   2.329  -2.218 -18.107
  498    H    PHE  76           H        PHE  76   3.660  -0.973 -16.655
  499    HA   PHE  76           HA       PHE  76   5.850   0.604 -17.085
  500   1HB   PHE  76          2HB       PHE  76   3.968   1.278 -19.123
  501   2HB   PHE  76          1HB       PHE  76   3.921   2.636 -18.021
  502    HD1  PHE  76           HD1      PHE  76   5.550   1.337 -20.863
  503    HD2  PHE  76           HD2      PHE  76   6.359   3.494 -17.159
  504    HE1  PHE  76           HE1      PHE  76   7.674   2.249 -21.857
  505    HE2  PHE  76           HE2      PHE  76   8.520   4.343 -18.125
  506    HZ   PHE  76           HZ       PHE  76   9.162   3.750 -20.487
  507    H    ILE  77           H        ILE  77   4.262  -0.261 -15.013
  508    HA   ILE  77           HA       ILE  77   1.905   0.964 -15.147
  509    HB   ILE  77           HB       ILE  77   2.467  -1.217 -14.299
  510   1HG1  ILE  77          1HG1      ILE  77   0.466   0.161 -12.534
  511   2HG1  ILE  77          2HG1      ILE  77   0.184  -0.253 -14.200
  512   1HG2  ILE  77          1HG2      ILE  77   3.788   0.230 -12.249
  513   2HG2  ILE  77          2HG2      ILE  77   3.750  -1.510 -12.533
  514   3HG2  ILE  77          3HG2      ILE  77   2.526  -0.764 -11.491
  515   1HD1  ILE  77          1HD1      ILE  77  -0.600  -2.234 -13.294
  516   2HD1  ILE  77          2HD1      ILE  77   0.326  -2.036 -11.806
  517   3HD1  ILE  77          3HD1      ILE  77   1.109  -2.674 -13.251
  518    H    CYS  78           H        CYS  78   0.719   2.104 -12.825
  519    HA   CYS  78           HA       CYS  78   1.897   1.074 -10.805
  520   1HB   CYS  78          2HB       CYS  78   4.060   2.596 -11.601
  521   2HB   CYS  78          1HB       CYS  78   3.291   3.734 -10.522
  522    H    THR  79           H        THR  79   1.317   4.499 -11.586
  523    HA   THR  79           HA       THR  79   0.003   4.701  -8.947
  524    HB   THR  79           HB       THR  79   0.620   7.189 -10.513
  525    HG1  THR  79           HG1      THR  79   2.742   5.923  -9.295
  526   1HG2  THR  79          1HG2      THR  79   0.541   6.308  -7.667
  527   2HG2  THR  79          2HG2      THR  79   0.213   7.897  -8.357
  528   3HG2  THR  79          3HG2      THR  79   1.875   7.396  -8.051
  529    H    ASP  80           H        ASP  80  -2.081   3.684 -10.118
  530    HA   ASP  80           HA       ASP  80  -3.932   5.679 -10.475
  531   1HB   ASP  80          2HB       ASP  80  -4.275   3.300  -9.541
  532   2HB   ASP  80          1HB       ASP  80  -3.819   3.957  -7.965
  533    H    ILE  81           H        ILE  81  -3.969   5.928  -6.879
  534    HA   ILE  81           HA       ILE  81  -5.688   7.477  -7.021
  535    HB   ILE  81           HB       ILE  81  -3.375   9.329  -7.711
  536   1HG1  ILE  81          2HG1      ILE  81  -2.532   7.700  -6.082
  537   2HG1  ILE  81          1HG1      ILE  81  -2.672   9.291  -5.370
  538   1HG2  ILE  81          1HG2      ILE  81  -5.364   9.908  -5.538
  539   2HG2  ILE  81          2HG2      ILE  81  -5.923  10.028  -7.206
  540   3HG2  ILE  81          3HG2      ILE  81  -4.566  11.013  -6.656
  541   1HD1  ILE  81          1HD1      ILE  81  -4.115   8.508  -3.774
  542   2HD1  ILE  81          2HD1      ILE  81  -3.825   6.879  -4.387
  543   3HD1  ILE  81          3HD1      ILE  81  -5.182   7.824  -5.001
  544    H    ASP  82           H        ASP  82  -7.148   8.414  -8.264
  545    HA   ASP  82           HA       ASP  82  -8.177   9.056 -10.198
  546   1HB   ASP  82          2HB       ASP  82  -6.134  10.817  -9.751
  547   2HB   ASP  82          1HB       ASP  82  -5.602  10.192 -11.308
  548    H    GLU  83           H        GLU  83  -5.853   8.859 -13.002
  549    HA   GLU  83           HA       GLU  83  -8.712   8.967 -12.828
  550   1HB   GLU  83          1HB       GLU  83  -7.475  10.513 -14.311
  551   2HB   GLU  83          2HB       GLU  83  -6.793   9.178 -15.207
  552   1HG   GLU  83          1HG       GLU  83  -9.630   8.810 -15.319
  553   2HG   GLU  83          2HG       GLU  83  -9.342  10.521 -15.621
  554    H1   NAG 121           H1       ASN  21 -15.307   0.522   6.923
  555    H2   NAG 121           H2       ASN  21 -13.475   2.961   7.210
  556    H3   NAG 121           H3       ASN  21 -16.355   2.870   8.155
  557    H4   NAG 121           H4       ASN  21 -15.520   4.298   5.613
  558    H5   NAG 121           H5       ASN  21 -16.935   1.604   5.790
  559   1H6   NAG 121          1H6       ASN  21 -17.586   3.210   3.877
  560   2H6   NAG 121          2H6       ASN  21 -16.973   1.634   3.374
  561   1H8   NAG 121          1H8       ASN  21 -12.013   0.721   9.237
  562   2H8   NAG 121          2H8       ASN  21 -11.042   2.162   9.600
  563   3H8   NAG 121          3H8       ASN  21 -11.940   1.349  10.897
  564    HN2  NAG 121           HN2      ASN  21 -14.615   1.104   9.178
  565    HO4  NAG 121           HO4      ASN  21 -17.341   5.060   6.007
  566    HO3  NAG 121           HO3      ASN  21 -15.216   4.395   9.060
  567    HO6  NAG 121           H6       ASN  21 -15.422   3.950   3.635
  568    H1   NAG 148           H1       ASN  48  -0.720  -7.039  -5.097
  569    H2   NAG 148           H2       ASN  48  -3.534  -6.452  -5.606
  570    H3   NAG 148           H3       ASN  48  -4.033  -6.880  -3.037
  571    H4   NAG 148           H4       ASN  48  -3.403  -9.498  -2.858
  572    H5   NAG 148           H5       ASN  48  -0.661  -8.483  -3.431
  573   1H6   NAG 148          1H6       ASN  48  -1.205 -10.784  -2.471
  574   2H6   NAG 148          2H6       ASN  48  -0.251 -10.824  -3.954
  575   1H8   NAG 148          1H8       ASN  48  -0.843  -3.504  -3.034
  576   2H8   NAG 148          2H8       ASN  48  -2.474  -3.680  -2.360
  577   3H8   NAG 148          3H8       ASN  48  -1.068  -4.280  -1.465
  578    HN2  NAG 148           HN2      ASN  48  -2.532  -4.643  -4.728
  579    HO4  NAG 148           HO4      ASN  48  -2.837  -8.719  -1.117
  580    HO3  NAG 148           HO3      ASN  48  -4.311  -8.906  -4.923
  581    HO6  NAG 148           H6       ASN  48  -2.119 -11.215  -5.081
  Start of MODEL    4
    1   1H    HIS   1          1H        HIS   1  -4.034 -12.339  26.248
    2   2H    HIS   1          2H        HIS   1  -2.895 -13.503  26.730
    3   3H    HIS   1          3H        HIS   1  -3.590 -12.467  27.882
    4    HA   HIS   1           HA       HIS   1  -2.636 -10.591  26.639
    5   1HB   HIS   1          1HB       HIS   1  -1.403 -12.416  28.515
    6   2HB   HIS   1          2HB       HIS   1  -0.165 -11.851  27.417
    7    HD2  HIS   1           HD2      HIS   1   0.298  -9.150  27.384
    8    HE1  HIS   1           HE1      HIS   1  -1.859  -8.216  30.977
    9    HE2  HIS   1           HE2      HIS   1  -0.188  -7.291  29.251
   10    H    MET   2           H        MET   2  -3.214 -11.810  24.280
   11    HA   MET   2           HA       MET   2  -0.560 -11.151  23.176
   12   1HB   MET   2          2HB       MET   2  -3.292 -11.220  21.804
   13   2HB   MET   2          1HB       MET   2  -1.759 -10.939  21.006
   14   1HG   MET   2          1HG       MET   2  -1.106 -13.175  21.151
   15   2HG   MET   2          2HG       MET   2  -1.958 -13.442  22.662
   16   1HE   MET   2          1HE       MET   2  -3.200 -15.304  22.567
   17   2HE   MET   2          2HE       MET   2  -2.449 -15.894  21.074
   18   3HE   MET   2          3HE       MET   2  -4.211 -15.924  21.252
   19    H    GLU   3           H        GLU   3  -1.827  -9.201  21.195
   20    HA   GLU   3           HA       GLU   3   0.103  -7.981  23.040
   21   1HB   GLU   3          2HB       GLU   3   1.446  -7.554  20.911
   22   2HB   GLU   3          1HB       GLU   3   1.113  -9.258  21.222
   23   1HG   GLU   3          1HG       GLU   3  -1.107  -8.485  19.708
   24   2HG   GLU   3          2HG       GLU   3   0.192  -7.543  18.985
   25    HA   PRO   4           HA       PRO   4  -3.301  -6.149  23.183
   26   1HB   PRO   4          1HB       PRO   4  -2.758  -3.471  24.208
   27   2HB   PRO   4          2HB       PRO   4  -3.316  -4.885  25.092
   28   1HG   PRO   4          1HG       PRO   4  -0.670  -3.733  25.122
   29   2HG   PRO   4          2HG       PRO   4  -1.219  -5.166  25.985
   30   1HD   PRO   4          1HD       PRO   4   0.541  -5.079  23.681
   31   2HD   PRO   4          2HD       PRO   4  -0.058  -6.523  24.513
   32    H    VAL   5           H        VAL   5  -4.899  -3.962  22.509
   33    HA   VAL   5           HA       VAL   5  -4.109  -4.906  19.821
   34    HB   VAL   5           HB       VAL   5  -6.382  -5.968  21.485
   35   1HG1  VAL   5          1HG2      VAL   5  -6.858  -7.576  19.739
   36   2HG1  VAL   5          2HG2      VAL   5  -6.667  -6.021  18.930
   37   3HG1  VAL   5          3HG2      VAL   5  -5.358  -7.200  18.891
   38   1HG2  VAL   5          1HG1      VAL   5  -4.809  -7.268  22.525
   39   2HG2  VAL   5          2HG1      VAL   5  -4.689  -8.159  21.010
   40   3HG2  VAL   5          3HG1      VAL   5  -3.568  -6.840  21.337
   41    H    ASP   6           H        ASP   6  -5.041  -2.219  20.524
   42    HA   ASP   6           HA       ASP   6  -5.788  -0.960  18.683
   43   1HB   ASP   6          1HB       ASP   6  -5.064  -2.290  16.516
   44   2HB   ASP   6          2HB       ASP   6  -3.835  -1.682  17.559
   45    HA   PRO   7           HA       PRO   7  -7.954  -1.926  15.339
   46   1HB   PRO   7          1HB       PRO   7  -8.328   0.908  15.193
   47   2HB   PRO   7          2HB       PRO   7  -9.574  -0.339  15.133
   48   1HG   PRO   7          1HG       PRO   7  -8.984   1.499  17.326
   49   2HG   PRO   7          2HG       PRO   7 -10.333   0.379  17.171
   50   1HD   PRO   7          1HD       PRO   7  -7.977   0.077  18.843
   51   2HD   PRO   7          2HD       PRO   7  -9.325  -1.059  18.673
   52    H    CYS   8           H        CYS   8  -6.707   1.274  16.330
   53    HA   CYS   8           HA       CYS   8  -4.562   0.762  14.435
   54   1HB   CYS   8          2HB       CYS   8  -6.058   2.921  14.686
   55   2HB   CYS   8          1HB       CYS   8  -4.919   3.352  15.959
   56    H    PHE   9           H        PHE   9  -4.864   0.849  17.940
   57    HA   PHE   9           HA       PHE   9  -2.431   1.395  18.814
   58   1HB   PHE   9          1HB       PHE   9  -4.450  -0.034  19.809
   59   2HB   PHE   9          2HB       PHE   9  -3.380  -1.389  19.445
   60    HD1  PHE   9           HD1      PHE   9  -1.309  -1.804  20.659
   61    HD2  PHE   9           HD2      PHE   9  -3.726   1.737  21.449
   62    HE1  PHE   9           HE1      PHE   9   0.019  -1.367  22.752
   63    HE2  PHE   9           HE2      PHE   9  -2.399   2.178  23.546
   64    HZ   PHE   9           HZ       PHE   9  -0.524   0.624  24.195
   65    H    ARG  10           H        ARG  10  -0.475   0.125  19.202
   66    HA   ARG  10           HA       ARG  10   1.066  -1.469  18.748
   67   1HB   ARG  10          2HB       ARG  10  -1.374  -2.702  18.609
   68   2HB   ARG  10          1HB       ARG  10  -0.494  -3.344  17.224
   69   1HG   ARG  10          1HG       ARG  10  -0.221  -3.889  20.066
   70   2HG   ARG  10          2HG       ARG  10   0.441  -4.698  18.657
   71   1HD   ARG  10          1HD       ARG  10   2.467  -3.298  18.691
   72   2HD   ARG  10          2HD       ARG  10   1.890  -2.556  20.199
   73    HE   ARG  10           HE       ARG  10   2.313  -5.482  20.014
   74   1HH1  ARG  10          2HH2      ARG  10   4.836  -3.540  20.862
   75   2HH1  ARG  10          1HH2      ARG  10   4.034  -2.578  22.058
   76   1HH2  ARG  10          1HH1      ARG  10   1.974  -5.538  22.608
   77   2HH2  ARG  10          2HH1      ARG  10   3.043  -4.492  23.482
   78    H    ALA  11           H        ALA  11  -0.256   0.207  16.486
   79    HA   ALA  11           HA       ALA  11  -0.677  -1.573  14.492
   80   1HB   ALA  11          1HB       ALA  11  -2.031   0.258  14.170
   81   2HB   ALA  11          2HB       ALA  11  -0.759   1.419  14.522
   82   3HB   ALA  11          3HB       ALA  11  -0.846   0.658  12.930
   83    H    ASN  12           H        ASN  12   0.432  -2.432  12.726
   84    HA   ASN  12           HA       ASN  12   2.960  -1.026  12.075
   85   1HB   ASN  12          1HB       ASN  12   4.027  -3.313  11.691
   86   2HB   ASN  12          2HB       ASN  12   3.511  -3.104  13.362
   87   1HD2  ASN  12          1HD2      ASN  12   1.293  -4.557  13.995
   88   2HD2  ASN  12          2HD2      ASN  12   2.460  -5.825  13.665
   89    H    CYS  13           H        CYS  13   0.223  -1.070  10.688
   90    HA   CYS  13           HA       CYS  13   0.807  -0.842   8.132
   91   1HB   CYS  13          1HB       CYS  13   0.677   1.668   9.907
   92   2HB   CYS  13          2HB       CYS  13   0.256   1.533   8.197
   93    H    GLU  14           H        GLU  14   2.751  -1.490   7.561
   94    HA   GLU  14           HA       GLU  14   5.094  -0.395   7.130
   95   1HB   GLU  14          2HB       GLU  14   3.588  -1.559   5.360
   96   2HB   GLU  14          1HB       GLU  14   3.024   0.035   4.967
   97   1HG   GLU  14          1HG       GLU  14   4.820  -0.409   3.414
   98   2HG   GLU  14          2HG       GLU  14   5.517   0.686   4.603
   99    H    TYR  15           H        TYR  15   3.882   1.815   4.862
  100    HA   TYR  15           HA       TYR  15   3.399   4.156   6.156
  101   1HB   TYR  15          2HB       TYR  15   2.751   3.286   3.772
  102   2HB   TYR  15          1HB       TYR  15   1.225   2.805   4.497
  103    HD1  TYR  15           HD1      TYR  15  -0.531   4.446   4.746
  104    HD2  TYR  15           HD2      TYR  15   3.576   5.733   4.044
  105    HE1  TYR  15           HE1      TYR  15  -1.329   6.810   4.417
  106    HE2  TYR  15           HE2      TYR  15   2.780   8.099   3.720
  107    HH   TYR  15           HH       TYR  15   0.228   9.131   2.950
  108    H    GLN  16           H        GLN  16   0.414   3.585   5.840
  109    HA   GLN  16           HA       GLN  16   0.272   3.564   8.836
  110   1HB   GLN  16          1HB       GLN  16   0.265   5.809   7.348
  111   2HB   GLN  16          2HB       GLN  16  -1.475   5.495   7.338
  112   1HG   GLN  16          1HG       GLN  16  -1.287   5.252   9.910
  113   2HG   GLN  16          2HG       GLN  16   0.359   5.845   9.775
  114   1HE2  GLN  16          2HE2      GLN  16   0.553   7.987   8.390
  115   2HE2  GLN  16          1HE2      GLN  16  -0.923   8.814   7.930
  116    H    CYS  17           H        CYS  17  -2.279   4.676   8.765
  117    HA   CYS  17           HA       CYS  17  -3.345   1.991   9.412
  118   1HB   CYS  17          1HB       CYS  17  -2.512   3.641  11.181
  119   2HB   CYS  17          2HB       CYS  17  -3.894   4.647  10.825
  120    H    GLN  18           H        GLN  18  -5.462   1.538   7.943
  121    HA   GLN  18           HA       GLN  18  -7.257   3.302   9.447
  122   1HB   GLN  18          2HB       GLN  18  -7.631   1.857   7.160
  123   2HB   GLN  18          1HB       GLN  18  -8.256   0.711   8.352
  124   1HG   GLN  18          1HG       GLN  18 -10.208   1.897   8.021
  125   2HG   GLN  18          2HG       GLN  18  -9.509   2.951   9.246
  126   1HE2  GLN  18          2HE2      GLN  18  -7.538   4.323   7.985
  127   2HE2  GLN  18          1HE2      GLN  18  -7.843   4.733   6.307
  128    HA   PRO  19           HA       PRO  19  -8.880  -0.123  11.854
  129   1HB   PRO  19          1HB       PRO  19 -10.948   1.814  12.499
  130   2HB   PRO  19          2HB       PRO  19  -9.980   0.857  13.607
  131   1HG   PRO  19          1HG       PRO  19  -9.750   3.671  13.134
  132   2HG   PRO  19          2HG       PRO  19  -8.680   2.675  14.120
  133   1HD   PRO  19          1HD       PRO  19  -8.163   3.806  11.454
  134   2HD   PRO  19          2HD       PRO  19  -7.026   3.001  12.549
  135    H    LEU  20           H        LEU  20  -9.668  -0.631   9.044
  136    HA   LEU  20           HA       LEU  20 -10.621  -2.494   9.918
  137   1HB   LEU  20          1HB       LEU  20 -10.334  -2.445  12.174
  138   2HB   LEU  20          2HB       LEU  20 -10.716  -0.754  12.298
  139    HG   LEU  20           HG       LEU  20 -12.990  -2.592  11.824
  140   1HD1  LEU  20          1HD2      LEU  20 -12.093  -2.273  14.660
  141   2HD1  LEU  20          2HD2      LEU  20 -13.024  -3.569  13.908
  142   3HD1  LEU  20          3HD2      LEU  20 -11.279  -3.487  13.670
  143   1HD2  LEU  20          1HD1      LEU  20 -13.731  -0.368  12.042
  144   2HD2  LEU  20          2HD1      LEU  20 -13.859  -0.933  13.704
  145   3HD2  LEU  20          3HD1      LEU  20 -12.475   0.041  13.211
  146    H    ASN  21           H        ASN  21 -12.246   0.120  10.392
  147    HA   ASN  21           HA       ASN  21 -14.840  -0.754  10.342
  148   1HB   ASN  21          2HB       ASN  21 -15.752   1.588   9.650
  149   2HB   ASN  21          1HB       ASN  21 -14.643   1.559  11.044
  150   1HD2  ASN  21           HD2      ASN  21 -14.754   3.905  10.151
  151    H    GLN  22           H        GLN  22 -13.098  -0.383   7.335
  152    HA   GLN  22           HA       GLN  22 -15.360  -2.151   6.584
  153   1HB   GLN  22          1HB       GLN  22 -13.393  -0.624   5.052
  154   2HB   GLN  22          2HB       GLN  22 -13.243  -2.314   4.642
  155   1HG   GLN  22          1HG       GLN  22 -15.889  -2.234   4.380
  156   2HG   GLN  22          2HG       GLN  22 -15.644  -0.494   4.264
  157   1HE2  GLN  22          1HE2      GLN  22 -13.213  -0.262   2.699
  158   2HE2  GLN  22          2HE2      GLN  22 -14.380  -0.071   1.403
  159    H    THR  23           H        THR  23 -12.038  -2.048   7.684
  160    HA   THR  23           HA       THR  23 -11.506  -4.420   6.090
  161    HB   THR  23           HB       THR  23  -9.178  -3.455   7.601
  162    HG1  THR  23           HG1      THR  23  -9.933  -1.537   7.702
  163   1HG2  THR  23          1HG2      THR  23  -8.713  -2.735   4.971
  164   2HG2  THR  23          2HG2      THR  23  -8.393  -4.343   5.621
  165   3HG2  THR  23          3HG2      THR  23  -9.901  -4.022   4.760
  166    H    SER  24           H        SER  24 -12.090  -3.759   9.147
  167    HA   SER  24           HA       SER  24 -11.139  -3.973  11.146
  168   1HB   SER  24          1HB       SER  24 -11.101  -6.136  12.181
  169   2HB   SER  24          2HB       SER  24 -12.428  -6.118  11.023
  170    HG   SER  24           HG       SER  24 -11.398  -7.450   9.777
  171    H    TYR  25           H        TYR  25  -9.251  -3.990  12.130
  172    HA   TYR  25           HA       TYR  25  -8.710  -2.161  10.280
  173   1HB   TYR  25          2HB       TYR  25  -7.130  -1.067  11.888
  174   2HB   TYR  25          1HB       TYR  25  -8.401  -1.893  12.777
  175    HD1  TYR  25           HD1      TYR  25  -7.939  -3.892  14.148
  176    HD2  TYR  25           HD2      TYR  25  -4.793  -1.980  11.799
  177    HE1  TYR  25           HE1      TYR  25  -6.207  -5.264  15.346
  178    HE2  TYR  25           HE2      TYR  25  -3.067  -3.335  13.010
  179    HH   TYR  25           HH       TYR  25  -3.221  -5.809  14.355
  180    H    LEU  26           H        LEU  26  -7.149  -1.311   9.282
  181    HA   LEU  26           HA       LEU  26  -5.711  -3.442   7.887
  182   1HB   LEU  26          2HB       LEU  26  -6.982  -2.868   6.120
  183   2HB   LEU  26          1HB       LEU  26  -7.919  -1.953   7.300
  184    HG   LEU  26           HG       LEU  26  -6.088  -0.085   6.702
  185   1HD1  LEU  26          1HD2      LEU  26  -5.257  -0.199   4.501
  186   2HD1  LEU  26          2HD2      LEU  26  -5.325  -1.941   4.821
  187   3HD1  LEU  26          3HD2      LEU  26  -6.617  -1.152   3.935
  188   1HD2  LEU  26          1HD1      LEU  26  -8.671  -0.050   6.567
  189   2HD2  LEU  26          2HD1      LEU  26  -7.828   0.970   5.393
  190   3HD2  LEU  26          3HD1      LEU  26  -8.494  -0.581   4.901
  191    H    CYS  27           H        CYS  27  -4.205  -2.099   5.949
  192    HA   CYS  27           HA       CYS  27  -3.232   0.309   7.336
  193   1HB   CYS  27          1HB       CYS  27  -1.389  -1.844   6.337
  194   2HB   CYS  27          2HB       CYS  27  -0.844  -0.200   6.705
  195    H    VAL  28           H        VAL  28  -2.988   1.915   6.248
  196    HA   VAL  28           HA       VAL  28  -3.897   1.847   3.464
  197    HB   VAL  28           HB       VAL  28  -3.338   4.476   3.876
  198   1HG1  VAL  28          1HG2      VAL  28  -5.840   4.421   5.008
  199   2HG1  VAL  28          2HG2      VAL  28  -5.546   4.220   3.281
  200   3HG1  VAL  28          3HG2      VAL  28  -5.771   2.804   4.308
  201   1HG2  VAL  28          1HG1      VAL  28  -3.836   3.374   6.663
  202   2HG2  VAL  28          2HG1      VAL  28  -2.431   4.274   6.092
  203   3HG2  VAL  28          3HG1      VAL  28  -3.991   5.082   6.241
  204    H    CYS  29           H        CYS  29  -2.537   2.510   1.646
  205    HA   CYS  29           HA       CYS  29  -0.022   3.688   2.490
  206   1HB   CYS  29          1HB       CYS  29  -0.866   2.244  -0.024
  207   2HB   CYS  29          2HB       CYS  29   0.780   2.735   0.393
  208    H    ALA  30           H        ALA  30   0.697   4.530   0.073
  209    HA   ALA  30           HA       ALA  30  -0.322   6.976  -0.487
  210   1HB   ALA  30          1HB       ALA  30   0.602   6.619  -2.940
  211   2HB   ALA  30          2HB       ALA  30   1.710   6.543  -1.566
  212   3HB   ALA  30          3HB       ALA  30   1.119   5.052  -2.311
  213    H    GLU  31           H        GLU  31  -3.002   5.580  -0.492
  214    HA   GLU  31           HA       GLU  31  -1.925   3.333  -1.307
  215   1HB   GLU  31          1HB       GLU  31  -4.266   3.992  -0.149
  216   2HB   GLU  31          2HB       GLU  31  -4.900   3.541  -1.708
  217   1HG   GLU  31          1HG       GLU  31  -3.546   1.326  -1.431
  218   2HG   GLU  31          2HG       GLU  31  -3.319   1.814   0.248
  219    H    GLY  32           H        GLY  32  -2.870   1.664  -2.863
  220   1HA   GLY  32          2HA       GLY  32  -2.973   1.515  -5.410
  221   2HA   GLY  32          1HA       GLY  32  -1.854   2.915  -5.343
  222    H    PHE  33           H        PHE  33  -0.071   2.534  -3.575
  223    HA   PHE  33           HA       PHE  33   1.370   0.175  -3.222
  224   1HB   PHE  33          2HB       PHE  33   0.302   2.511  -1.612
  225   2HB   PHE  33          1HB       PHE  33   1.048   1.163  -0.742
  226    HD1  PHE  33           HD1      PHE  33   3.307   1.282  -0.232
  227    HD2  PHE  33           HD2      PHE  33   1.793   3.303  -3.785
  228    HE1  PHE  33           HE1      PHE  33   5.540   2.407  -0.542
  229    HE2  PHE  33           HE2      PHE  33   4.026   4.419  -4.105
  230    HZ   PHE  33           HZ       PHE  33   5.880   4.022  -2.442
  231    H    ALA  34           H        ALA  34   0.503  -1.688  -3.372
  232    HA   ALA  34           HA       ALA  34  -1.443  -2.363  -1.272
  233   1HB   ALA  34          1HB       ALA  34  -3.105  -3.034  -2.753
  234   2HB   ALA  34          2HB       ALA  34  -2.196  -2.185  -4.005
  235   3HB   ALA  34          3HB       ALA  34  -1.945  -3.912  -3.752
  236    HA   PRO  35           HA       PRO  35   0.776  -5.785  -0.219
  237   1HB   PRO  35          1HB       PRO  35  -1.124  -7.908  -0.899
  238   2HB   PRO  35          2HB       PRO  35  -0.717  -7.272   0.690
  239   1HG   PRO  35          1HG       PRO  35  -3.134  -6.797  -0.775
  240   2HG   PRO  35          2HG       PRO  35  -2.657  -6.036   0.739
  241   1HD   PRO  35          1HD       PRO  35  -2.726  -4.829  -1.926
  242   2HD   PRO  35          2HD       PRO  35  -2.344  -4.041  -0.386
  243    H    ILE  36           H        ILE  36   2.094  -5.279  -2.405
  244    HA   ILE  36           HA       ILE  36   3.403  -7.347  -3.334
  245    HB   ILE  36           HB       ILE  36   4.671  -5.611  -2.454
  246   1HG1  ILE  36          1HG1      ILE  36   5.389  -8.120  -1.656
  247   2HG1  ILE  36          2HG1      ILE  36   6.391  -6.692  -1.628
  248   1HG2  ILE  36          1HG2      ILE  36   2.775  -5.727  -0.240
  249   2HG2  ILE  36          2HG2      ILE  36   4.390  -5.230   0.307
  250   3HG2  ILE  36          3HG2      ILE  36   3.557  -4.342  -0.931
  251   1HD1  ILE  36          1HD1      ILE  36   4.529  -7.307   0.656
  252   2HD1  ILE  36          2HD1      ILE  36   6.111  -8.112   0.548
  253   3HD1  ILE  36          3HD1      ILE  36   6.009  -6.340   0.672
  254    HA   PRO  37           HA       PRO  37   1.977 -11.240  -2.172
  255   1HB   PRO  37          1HB       PRO  37   4.670 -11.460  -0.821
  256   2HB   PRO  37          2HB       PRO  37   3.849 -12.659  -1.821
  257   1HG   PRO  37          1HG       PRO  37   5.801 -10.815  -2.732
  258   2HG   PRO  37          2HG       PRO  37   4.681 -11.672  -3.788
  259   1HD   PRO  37          1HD       PRO  37   4.708  -8.840  -3.347
  260   2HD   PRO  37          2HD       PRO  37   3.439  -9.758  -4.157
  261    H    HIS  38           H        HIS  38   3.619 -12.157   0.366
  262    HA   HIS  38           HA       HIS  38   1.855 -12.661   2.169
  263   1HB   HIS  38          1HB       HIS  38   3.497 -11.862   4.032
  264   2HB   HIS  38          2HB       HIS  38   3.891 -13.193   2.943
  265    HD1  HIS  38           HD1      HIS  38   6.472 -12.504   3.837
  266    HD2  HIS  38           HD2      HIS  38   4.475  -9.959   1.115
  267    HE1  HIS  38           HE1      HIS  38   8.265 -10.961   2.838
  268    H    GLU  39           H        GLU  39   3.242 -10.022   3.401
  269    HA   GLU  39           HA       GLU  39   1.179 -10.421   5.193
  270   1HB   GLU  39          2HB       GLU  39   2.843  -7.885   5.375
  271   2HB   GLU  39          1HB       GLU  39   2.113  -8.784   6.713
  272   1HG   GLU  39          2HG       GLU  39   3.594 -10.789   5.708
  273   2HG   GLU  39          1HG       GLU  39   4.569  -9.461   5.099
  274    HA   PRO  40           HA       PRO  40  -1.357  -6.573   4.747
  275   1HB   PRO  40          1HB       PRO  40  -1.884  -6.336   7.549
  276   2HB   PRO  40          2HB       PRO  40  -2.978  -7.001   6.344
  277   1HG   PRO  40          1HG       PRO  40  -1.502  -8.435   8.414
  278   2HG   PRO  40          2HG       PRO  40  -2.700  -9.078   7.297
  279   1HD   PRO  40          1HD       PRO  40   0.200  -9.392   7.177
  280   2HD   PRO  40          2HD       PRO  40  -1.010 -10.097   6.094
  281    H    HIS  41           H        HIS  41   1.174  -5.605   4.462
  282    HA   HIS  41           HA       HIS  41  -0.155  -3.265   5.467
  283   1HB   HIS  41          1HB       HIS  41   2.068  -2.323   6.395
  284   2HB   HIS  41          2HB       HIS  41   1.080  -3.342   7.435
  285    HD1  HIS  41           HD1      HIS  41   1.947  -6.225   7.066
  286    HD2  HIS  41           HD2      HIS  41   4.564  -2.937   6.590
  287    HE1  HIS  41           HE1      HIS  41   4.332  -7.167   7.268
  288    H    ARG  42           H        ARG  42   3.017  -3.256   4.956
  289    HA   ARG  42           HA       ARG  42   4.386  -4.305   3.453
  290   1HB   ARG  42          2HB       ARG  42   1.576  -4.987   2.512
  291   2HB   ARG  42          1HB       ARG  42   2.959  -5.573   1.641
  292   1HG   ARG  42          1HG       ARG  42   2.843  -5.937   4.626
  293   2HG   ARG  42          2HG       ARG  42   1.905  -6.939   3.504
  294   1HD   ARG  42          2HD       ARG  42   3.850  -8.173   3.018
  295   2HD   ARG  42          1HD       ARG  42   4.653  -6.670   2.530
  296    HE   ARG  42           HE       ARG  42   4.578  -6.983   5.397
  297   1HH1  ARG  42          2HH1      ARG  42   6.288  -7.635   2.300
  298   2HH1  ARG  42          1HH1      ARG  42   7.758  -7.149   3.078
  299   1HH2  ARG  42          1HH2      ARG  42   6.589  -8.900   5.806
  300   2HH2  ARG  42          2HH2      ARG  42   7.735  -7.611   5.660
  301    H    CYS  43           H        CYS  43   1.891  -3.071   1.992
  302    HA   CYS  43           HA       CYS  43   2.006  -3.057  -0.768
  303   1HB   CYS  43          2HB       CYS  43   1.567  -0.673  -1.022
  304   2HB   CYS  43          1HB       CYS  43   0.388  -1.436   0.052
  305    H    GLN  44           H        GLN  44   3.183  -2.665  -2.408
  306    HA   GLN  44           HA       GLN  44   5.497  -0.995  -1.984
  307   1HB   GLN  44          1HB       GLN  44   6.338  -3.104  -1.118
  308   2HB   GLN  44          2HB       GLN  44   5.770  -3.970  -2.508
  309   1HG   GLN  44          1HG       GLN  44   7.646  -3.435  -3.741
  310   2HG   GLN  44          2HG       GLN  44   7.602  -1.749  -3.232
  311   1HE2  GLN  44          2HE2      GLN  44   8.257  -5.038  -1.767
  312   2HE2  GLN  44          1HE2      GLN  44   8.685  -4.262  -0.254
  313    H    MET  45           H        MET  45   6.232  -0.123  -3.912
  314    HA   MET  45           HA       MET  45   3.681   0.718  -3.824
  315   1HB   MET  45          1HB       MET  45   4.260   2.478  -5.586
  316   2HB   MET  45          2HB       MET  45   5.537   2.258  -4.407
  317   1HG   MET  45          1HG       MET  45   6.949   1.960  -6.137
  318   2HG   MET  45          2HG       MET  45   6.226   0.374  -6.322
  319   1HE   MET  45          1HE       MET  45   6.797   0.080  -8.578
  320   2HE   MET  45          2HE       MET  45   5.102  -0.416  -8.460
  321   3HE   MET  45          3HE       MET  45   5.659   0.507  -9.868
  322    H    PHE  46           H        PHE  46   2.030  -0.774  -4.579
  323    HA   PHE  46           HA       PHE  46   2.507  -3.007  -5.736
  324   1HB   PHE  46          2HB       PHE  46   0.191  -2.312  -5.286
  325   2HB   PHE  46          1HB       PHE  46   0.241  -1.149  -6.597
  326    HD1  PHE  46           HD1      PHE  46  -1.938  -2.170  -7.340
  327    HD2  PHE  46           HD2      PHE  46   1.817  -4.387  -7.347
  328    HE1  PHE  46           HE1      PHE  46  -2.920  -3.825  -8.961
  329    HE2  PHE  46           HE2      PHE  46   0.852  -6.017  -9.002
  330    HZ   PHE  46           HZ       PHE  46  -1.527  -5.753  -9.788
  331    H    CYS  47           H        CYS  47   4.598  -2.460  -7.091
  332    HA   CYS  47           HA       CYS  47   3.295  -3.619  -9.441
  333   1HB   CYS  47          2HB       CYS  47   5.760  -1.811  -9.716
  334   2HB   CYS  47          1HB       CYS  47   5.019  -2.706 -11.023
  335    H    ASN  48           H        ASN  48   5.159  -4.907 -10.788
  336    HA   ASN  48           HA       ASN  48   5.946  -6.614  -8.511
  337   1HB   ASN  48          2HB       ASN  48   3.404  -6.773  -9.480
  338   2HB   ASN  48          1HB       ASN  48   4.180  -7.852 -10.635
  339   1HD2  ASN  48           HD2      ASN  48   4.388  -7.473  -6.850
  340    H    GLN  49           H        GLN  49   5.386  -6.808 -12.071
  341    HA   GLN  49           HA       GLN  49   7.743  -8.605 -12.026
  342   1HB   GLN  49          2HB       GLN  49   6.582 -10.178 -13.275
  343   2HB   GLN  49          1HB       GLN  49   5.206  -9.405 -12.531
  344   1HG   GLN  49          2HG       GLN  49   4.840  -8.002 -14.536
  345   2HG   GLN  49          1HG       GLN  49   6.305  -8.632 -15.283
  346   1HE2  GLN  49          2HE2      GLN  49   3.018  -8.909 -15.197
  347   2HE2  GLN  49          1HE2      GLN  49   2.757 -10.640 -15.094
  348    H    THR  50           H        THR  50   9.426  -8.180 -13.385
  349    HA   THR  50           HA       THR  50  10.740  -6.437 -14.025
  350    HB   THR  50           HB       THR  50   8.749  -5.286 -15.927
  351    HG1  THR  50           HG1      THR  50   9.404  -7.986 -15.877
  352   1HG2  THR  50          1HG2      THR  50  11.109  -4.763 -16.268
  353   2HG2  THR  50          2HG2      THR  50  10.634  -5.868 -17.557
  354   3HG2  THR  50          3HG2      THR  50  11.559  -6.466 -16.181
  355    H    ALA  51           H        ALA  51   8.501  -5.820 -11.900
  356    HA   ALA  51           HA       ALA  51   6.599  -4.491 -11.818
  357   1HB   ALA  51          1HB       ALA  51   7.359  -2.122 -11.104
  358   2HB   ALA  51          2HB       ALA  51   9.004  -2.614 -11.513
  359   3HB   ALA  51          3HB       ALA  51   8.126  -3.444 -10.225
  360    H    CYS  52           H        CYS  52   6.334  -1.723 -12.349
  361    HA   CYS  52           HA       CYS  52   5.079  -2.678 -14.807
  362   1HB   CYS  52          1HB       CYS  52   3.198  -1.200 -14.033
  363   2HB   CYS  52          2HB       CYS  52   3.703  -2.321 -12.789
  364    HA   PRO  53           HA       PRO  53   5.234   1.749 -16.240
  365   1HB   PRO  53          2HB       PRO  53   2.813   1.567 -17.690
  366   2HB   PRO  53          1HB       PRO  53   4.423   1.500 -18.401
  367   1HG   PRO  53          2HG       PRO  53   2.489  -0.677 -18.002
  368   2HG   PRO  53          1HG       PRO  53   3.943  -0.664 -19.005
  369   1HD   PRO  53          2HD       PRO  53   3.609  -1.954 -16.434
  370   2HD   PRO  53          1HD       PRO  53   5.106  -1.840 -17.377
  371    H    ALA  54           H        ALA  54   3.965   3.422 -15.617
  372    HA   ALA  54           HA       ALA  54   2.554   3.260 -13.346
  373   1HB   ALA  54          1HB       ALA  54   1.924   5.443 -13.625
  374   2HB   ALA  54          2HB       ALA  54   1.064   5.102 -15.122
  375   3HB   ALA  54          3HB       ALA  54   2.818   5.352 -15.155
  376    H    ASP  55           H        ASP  55  -0.072   2.992 -12.784
  377    HA   ASP  55           HA       ASP  55  -0.920   4.683 -14.943
  378   1HB   ASP  55          1HB       ASP  55  -1.442   2.076 -15.370
  379   2HB   ASP  55          2HB       ASP  55  -2.713   2.356 -14.201
  380    H    CYS  56           H        CYS  56  -0.660   5.904 -12.434
  381    HA   CYS  56           HA       CYS  56  -2.713   6.017 -10.942
  382   1HB   CYS  56          2HB       CYS  56  -2.171   8.554 -12.392
  383   2HB   CYS  56          1HB       CYS  56  -2.040   8.129 -10.672
  384    H    ASP  57           H        ASP  57  -4.189   8.481 -11.855
  385    HA   ASP  57           HA       ASP  57  -6.097   6.393 -11.550
  386   1HB   ASP  57          2HB       ASP  57  -6.140   8.467 -10.166
  387   2HB   ASP  57          1HB       ASP  57  -6.491   9.440 -11.588
  388    HA   PRO  58           HA       PRO  58  -5.468   8.553 -15.459
  389   1HB   PRO  58          2HB       PRO  58  -6.229  11.324 -15.266
  390   2HB   PRO  58          1HB       PRO  58  -6.688  10.188 -16.523
  391   1HG   PRO  58          2HG       PRO  58  -8.369  11.269 -14.406
  392   2HG   PRO  58          1HG       PRO  58  -8.840  10.207 -15.726
  393   1HD   PRO  58          2HD       PRO  58  -8.454   9.500 -12.921
  394   2HD   PRO  58          1HD       PRO  58  -8.996   8.445 -14.238
  395    H    ASN  59           H        ASN  59  -6.177  11.063 -12.880
  396    HA   ASN  59           HA       ASN  59  -3.652  11.931 -13.838
  397   1HB   ASN  59          1HB       ASN  59  -6.195  13.095 -13.278
  398   2HB   ASN  59          2HB       ASN  59  -5.142  13.755 -12.010
  399   1HD2  ASN  59          1HD2      ASN  59  -2.923  13.330 -13.946
  400   2HD2  ASN  59          2HD2      ASN  59  -2.735  14.976 -14.565
  401    H    THR  60           H        THR  60  -5.324  11.797 -11.097
  402    HA   THR  60           HA       THR  60  -3.069  12.905  -9.555
  403    HB   THR  60           HB       THR  60  -4.564  14.599  -9.777
  404    HG1  THR  60           HG1      THR  60  -5.435  13.460  -7.390
  405   1HG2  THR  60          1HG2      THR  60  -6.489  12.342  -9.623
  406   2HG2  THR  60          2HG2      THR  60  -6.558  13.804 -10.613
  407   3HG2  THR  60          3HG2      THR  60  -7.058  13.862  -8.905
  408    H    GLN  61           H        GLN  61  -5.855  12.236  -8.159
  409    HA   GLN  61           HA       GLN  61  -6.618  11.003  -6.284
  410   1HB   GLN  61          1HB       GLN  61  -6.921   9.103  -7.594
  411   2HB   GLN  61          2HB       GLN  61  -5.276   9.102  -8.165
  412   1HG   GLN  61          2HG       GLN  61  -4.483   8.106  -6.045
  413   2HG   GLN  61          1HG       GLN  61  -6.088   8.234  -5.346
  414   1HE2  GLN  61          1HE2      GLN  61  -7.548   6.134  -5.796
  415   2HE2  GLN  61          2HE2      GLN  61  -6.095   5.175  -5.582
  416    H    ALA  62           H        ALA  62  -3.955  12.421  -5.873
  417    HA   ALA  62           HA       ALA  62  -1.709  11.725  -5.913
  418   1HB   ALA  62          1HB       ALA  62  -2.888  12.133  -3.346
  419   2HB   ALA  62          2HB       ALA  62  -1.170  12.251  -3.726
  420   3HB   ALA  62          3HB       ALA  62  -1.840  10.727  -3.144
  421    H    SER  63           H        SER  63  -0.885  10.132  -7.028
  422    HA   SER  63           HA       SER  63  -1.285   7.395  -6.194
  423   1HB   SER  63          2HB       SER  63  -3.411   8.671  -7.628
  424   2HB   SER  63          1HB       SER  63  -2.595   7.657  -8.818
  425    HG   SER  63           HG       SER  63  -3.734   6.921  -6.378
  426    H    CYS  64           H        CYS  64   0.913   9.218  -7.159
  427    HA   CYS  64           HA       CYS  64   1.864   6.792  -8.428
  428   1HB   CYS  64          2HB       CYS  64   2.896   9.273  -9.759
  429   2HB   CYS  64          1HB       CYS  64   2.528   7.715 -10.474
  430    H    GLU  65           H        GLU  65   2.778   6.722  -6.210
  431    HA   GLU  65           HA       GLU  65   4.163   8.870  -5.160
  432   1HB   GLU  65          2HB       GLU  65   3.501   6.334  -4.280
  433   2HB   GLU  65          1HB       GLU  65   5.211   6.129  -4.509
  434   1HG   GLU  65          2HG       GLU  65   3.771   7.866  -2.502
  435   2HG   GLU  65          1HG       GLU  65   5.192   6.848  -2.279
  436    H    CYS  66           H        CYS  66   5.090   6.608  -7.281
  437    HA   CYS  66           HA       CYS  66   7.246   6.023  -5.740
  438   1HB   CYS  66          1HB       CYS  66   6.900   4.328  -8.130
  439   2HB   CYS  66          2HB       CYS  66   6.635   3.962  -6.424
  440    HA   PRO  67           HA       PRO  67  10.702   7.412  -7.060
  441   1HB   PRO  67          1HB       PRO  67   9.853   9.922  -5.843
  442   2HB   PRO  67          2HB       PRO  67  10.970   9.689  -7.204
  443   1HG   PRO  67          2HG       PRO  67   8.242  10.661  -7.296
  444   2HG   PRO  67          1HG       PRO  67   9.349  10.441  -8.647
  445   1HD   PRO  67          2HD       PRO  67   7.040   8.811  -8.007
  446   2HD   PRO  67          1HD       PRO  67   8.195   8.554  -9.320
  447    H    GLU  68           H        GLU  68  11.303   8.108  -4.265
  448    HA   GLU  68           HA       GLU  68  11.873   5.722  -5.124
  449   1HB   GLU  68          2HB       GLU  68  11.261   5.849  -2.140
  450   2HB   GLU  68          1HB       GLU  68  12.603   5.054  -2.921
  451   1HG   GLU  68          2HG       GLU  68  13.672   7.201  -3.446
  452   2HG   GLU  68          1HG       GLU  68  12.257   8.095  -2.898
  453    H    GLY  69           H        GLY  69   9.097   4.938  -6.054
  454   1HA   GLY  69          1HA       GLY  69  11.567   3.453  -5.479
  455   2HA   GLY  69          2HA       GLY  69  10.100   2.479  -5.805
  456    H    TYR  70           H        TYR  70  10.641   5.606  -7.337
  457    HA   TYR  70           HA       TYR  70  11.144   5.768  -9.705
  458   1HB   TYR  70          2HB       TYR  70  13.396   6.639  -9.585
  459   2HB   TYR  70          1HB       TYR  70  12.678   6.923  -8.012
  460    HD1  TYR  70           HD1      TYR  70  15.636   5.995  -9.531
  461    HD2  TYR  70           HD2      TYR  70  12.937   4.617  -6.399
  462    HE1  TYR  70           HE1      TYR  70  17.525   4.713  -8.473
  463    HE2  TYR  70           HE2      TYR  70  14.831   3.352  -5.321
  464    HH   TYR  70           HH       TYR  70  17.478   2.421  -6.720
  465    H    ILE  71           H        ILE  71  11.516   3.174 -11.530
  466    HA   ILE  71           HA       ILE  71  12.416   5.972 -11.225
  467    HB   ILE  71           HB       ILE  71  13.316   3.885 -13.218
  468   1HG1  ILE  71          1HG1      ILE  71  14.559   4.973 -11.062
  469   2HG1  ILE  71          2HG1      ILE  71  15.393   4.284 -12.434
  470   1HG2  ILE  71          1HG2      ILE  71  12.587   5.457 -14.813
  471   2HG2  ILE  71          2HG2      ILE  71  14.277   5.906 -14.579
  472   3HG2  ILE  71          3HG2      ILE  71  13.000   6.839 -13.799
  473   1HD1  ILE  71          1HD1      ILE  71  15.983   6.385 -13.320
  474   2HD1  ILE  71          2HD1      ILE  71  15.991   6.753 -11.597
  475   3HD1  ILE  71          3HD1      ILE  71  14.603   7.203 -12.587
  476    H    LEU  72           H        LEU  72  10.522   7.114 -11.546
  477    HA   LEU  72           HA       LEU  72   8.686   7.028 -13.451
  478   1HB   LEU  72          2HB       LEU  72  10.693   9.197 -12.840
  479   2HB   LEU  72          1HB       LEU  72   9.624   9.450 -14.201
  480    HG   LEU  72           HG       LEU  72   9.149   9.946 -11.463
  481   1HD1  LEU  72          1HD2      LEU  72   8.100  11.533 -12.707
  482   2HD1  LEU  72          2HD2      LEU  72   6.745  10.402 -12.763
  483   3HD1  LEU  72          3HD2      LEU  72   7.905  10.456 -14.092
  484   1HD2  LEU  72          1HD1      LEU  72   8.393   7.553 -11.372
  485   2HD2  LEU  72          2HD1      LEU  72   7.157   7.950 -12.573
  486   3HD2  LEU  72          3HD1      LEU  72   7.120   8.729 -10.986
  487    H    ASP  73           H        ASP  73   9.414   5.628 -16.024
  488    HA   ASP  73           HA       ASP  73   7.743   7.758 -15.186
  489   1HB   ASP  73          2HB       ASP  73   7.898   9.121 -17.381
  490   2HB   ASP  73          1HB       ASP  73   9.197   9.329 -16.212
  491    H    ASP  74           H        ASP  74   7.836   7.467 -18.330
  492    HA   ASP  74           HA       ASP  74   5.137   7.554 -18.380
  493   1HB   ASP  74          2HB       ASP  74   5.071   7.142 -20.840
  494   2HB   ASP  74          1HB       ASP  74   6.585   7.966 -20.472
  495    H    GLY  75           H        GLY  75   4.305   5.055 -16.791
  496   1HA   GLY  75          2HA       GLY  75   3.262   6.938 -18.810
  497   2HA   GLY  75          1HA       GLY  75   2.168   5.946 -17.802
  498    H    PHE  76           H        PHE  76   4.528   6.644 -15.983
  499    HA   PHE  76           HA       PHE  76   4.373   8.933 -14.508
  500   1HB   PHE  76          2HB       PHE  76   1.676   8.163 -14.927
  501   2HB   PHE  76          1HB       PHE  76   2.006   7.604 -13.301
  502    HD1  PHE  76           HD1      PHE  76   3.534   9.441 -11.866
  503    HD2  PHE  76           HD2      PHE  76   0.747  10.301 -15.107
  504    HE1  PHE  76           HE1      PHE  76   3.263  11.790 -11.006
  505    HE2  PHE  76           HE2      PHE  76   0.474  12.652 -14.250
  506    HZ   PHE  76           HZ       PHE  76   1.728  13.396 -12.195
  507    H    ILE  77           H        ILE  77   5.866   6.482 -14.584
  508    HA   ILE  77           HA       ILE  77   4.212   4.541 -13.921
  509    HB   ILE  77           HB       ILE  77   6.022   3.916 -15.173
  510   1HG1  ILE  77          1HG1      ILE  77   6.081   2.546 -12.534
  511   2HG1  ILE  77          2HG1      ILE  77   5.654   1.930 -14.114
  512   1HG2  ILE  77          1HG2      ILE  77   8.365   4.157 -14.527
  513   2HG2  ILE  77          2HG2      ILE  77   7.881   4.794 -12.943
  514   3HG2  ILE  77          3HG2      ILE  77   7.545   5.712 -14.411
  515   1HD1  ILE  77          1HD1      ILE  77   8.499   2.653 -13.223
  516   2HD1  ILE  77          2HD1      ILE  77   8.059   1.947 -14.779
  517   3HD1  ILE  77          3HD1      ILE  77   7.851   1.016 -13.296
  518    H    CYS  78           H        CYS  78   4.166   2.858 -12.290
  519    HA   CYS  78           HA       CYS  78   4.359   3.312  -9.626
  520   1HB   CYS  78          2HB       CYS  78   2.923   5.571 -10.928
  521   2HB   CYS  78          1HB       CYS  78   2.132   4.968  -9.483
  522    H    THR  79           H        THR  79   2.485   2.149 -12.211
  523    HA   THR  79           HA       THR  79   1.479   0.217 -10.364
  524    HB   THR  79           HB       THR  79  -0.840   1.481 -11.790
  525    HG1  THR  79           HG1      THR  79  -0.997   2.956 -10.021
  526   1HG2  THR  79          1HG2      THR  79  -0.918   0.930  -8.853
  527   2HG2  THR  79          2HG2      THR  79  -0.645  -0.482  -9.874
  528   3HG2  THR  79          3HG2      THR  79  -2.086   0.509 -10.106
  529    H    ASP  80           H        ASP  80   2.362  -1.413 -11.791
  530    HA   ASP  80           HA       ASP  80   1.217  -2.115 -14.141
  531   1HB   ASP  80          2HB       ASP  80   2.429  -3.839 -12.996
  532   2HB   ASP  80          1HB       ASP  80   1.435  -3.670 -11.540
  533    H    ILE  81           H        ILE  81  -0.707  -1.001 -14.645
  534    HA   ILE  81           HA       ILE  81  -3.198  -1.372 -13.840
  535    HB   ILE  81           HB       ILE  81  -2.366  -2.702 -16.438
  536   1HG1  ILE  81          2HG1      ILE  81  -2.768  -0.063 -17.119
  537   2HG1  ILE  81          1HG1      ILE  81  -1.943   0.099 -15.587
  538   1HG2  ILE  81          1HG2      ILE  81  -4.668  -2.813 -16.464
  539   2HG2  ILE  81          2HG2      ILE  81  -4.500  -1.171 -17.084
  540   3HG2  ILE  81          3HG2      ILE  81  -4.864  -1.437 -15.378
  541   1HD1  ILE  81          1HD1      ILE  81  -0.710  -1.949 -17.361
  542   2HD1  ILE  81          2HD1      ILE  81   0.059  -0.646 -16.452
  543   3HD1  ILE  81          3HD1      ILE  81  -0.671  -0.314 -18.023
  544    H    ASP  82           H        ASP  82  -4.770  -3.313 -14.724
  545    HA   ASP  82           HA       ASP  82  -4.018  -4.915 -12.389
  546   1HB   ASP  82          1HB       ASP  82  -6.298  -3.557 -12.802
  547   2HB   ASP  82          2HB       ASP  82  -6.782  -5.010 -13.671
  548    H    GLU  83           H        GLU  83  -2.657  -5.892 -14.779
  549    HA   GLU  83           HA       GLU  83  -3.675  -8.503 -13.895
  550   1HB   GLU  83          1HB       GLU  83  -1.310  -7.531 -15.479
  551   2HB   GLU  83          2HB       GLU  83  -1.029  -8.965 -14.521
  552   1HG   GLU  83          1HG       GLU  83  -3.448  -9.617 -15.697
  553   2HG   GLU  83          2HG       GLU  83  -2.717  -8.629 -16.958
  554    H1   NAG 121           H1       ASN  21 -12.624   4.569   8.394
  555    H2   NAG 121           H2       ASN  21 -14.946   3.369   7.180
  556    H3   NAG 121           H3       ASN  21 -15.386   5.205   5.456
  557    H4   NAG 121           H4       ASN  21 -15.052   7.564   6.408
  558    H5   NAG 121           H5       ASN  21 -12.611   6.815   7.822
  559   1H6   NAG 121          1H6       ASN  21 -15.038   8.305   8.920
  560   2H6   NAG 121          2H6       ASN  21 -13.874   9.071   7.841
  561   1H8   NAG 121          1H8       ASN  21 -11.757   1.278   5.112
  562   2H8   NAG 121          2H8       ASN  21 -11.498   2.262   6.564
  563   3H8   NAG 121          3H8       ASN  21 -12.682   0.957   6.586
  564    HN2  NAG 121           HN2      ASN  21 -12.498   4.527   5.985
  565    HO4  NAG 121           HO4      ASN  21 -12.983   7.624   5.621
  566    HO3  NAG 121           HO3      ASN  21 -16.788   6.298   6.854
  567    HO6  NAG 121           H6       ASN  21 -13.657   8.314  10.441
  568    H1   NAG 148           H1       ASN  48   2.777  -8.906  -5.830
  569    H2   NAG 148           H2       ASN  48   1.901  -6.694  -7.447
  570    H3   NAG 148           H3       ASN  48  -0.523  -7.432  -7.736
  571    H4   NAG 148           H4       ASN  48  -0.735  -9.966  -8.167
  572    H5   NAG 148           H5       ASN  48   1.177 -10.552  -6.024
  573   1H6   NAG 148          1H6       ASN  48   0.751 -11.685  -8.835
  574   2H6   NAG 148          2H6       ASN  48   0.066 -12.327  -7.342
  575   1H8   NAG 148          1H8       ASN  48  -0.358  -5.044  -5.604
  576   2H8   NAG 148          2H8       ASN  48  -0.139  -5.409  -3.891
  577   3H8   NAG 148          3H8       ASN  48   0.794  -4.100  -4.640
  578    HN2  NAG 148           HN2      ASN  48   0.382  -7.810  -5.188
  579    HO4  NAG 148           HO4      ASN  48  -0.904  -8.501  -5.976
  580    HO3  NAG 148           HO3      ASN  48   0.583  -9.060  -9.469
  581    HO6  NAG 148           H6       ASN  48   2.758 -11.983  -7.306
  Start of MODEL    5
    1   1H    HIS   1          1H        HIS   1   3.029  -9.949  24.356
    2   2H    HIS   1          2H        HIS   1   2.876 -10.212  22.685
    3   3H    HIS   1          3H        HIS   1   3.237 -11.509  23.719
    4    HA   HIS   1           HA       HIS   1   5.215 -10.011  24.363
    5   1HB   HIS   1          1HB       HIS   1   5.026 -12.359  23.067
    6   2HB   HIS   1          2HB       HIS   1   5.511 -11.390  21.694
    7    HD2  HIS   1           HD2      HIS   1   8.078 -11.123  21.429
    8    HE1  HIS   1           HE1      HIS   1   9.377 -11.892  25.449
    9    HE2  HIS   1           HE2      HIS   1  10.190 -11.400  23.056
   10    H    MET   2           H        MET   2   7.026  -8.506  22.574
   11    HA   MET   2           HA       MET   2   5.408  -7.528  24.646
   12   1HB   MET   2          2HB       MET   2   7.863  -6.581  23.201
   13   2HB   MET   2          1HB       MET   2   6.986  -5.335  24.056
   14   1HG   MET   2          1HG       MET   2   7.554  -6.165  26.131
   15   2HG   MET   2          2HG       MET   2   7.378  -7.837  25.627
   16   1HE   MET   2          1HE       MET   2   9.869  -4.703  24.594
   17   2HE   MET   2          2HE       MET   2  11.032  -5.210  25.831
   18   3HE   MET   2          3HE       MET   2   9.349  -4.884  26.278
   19    H    GLU   3           H        GLU   3   3.659  -5.978  24.693
   20    HA   GLU   3           HA       GLU   3   4.898  -3.624  23.955
   21   1HB   GLU   3          1HB       GLU   3   2.958  -4.663  21.913
   22   2HB   GLU   3          2HB       GLU   3   2.804  -2.949  22.274
   23   1HG   GLU   3          1HG       GLU   3   5.617  -3.479  21.983
   24   2HG   GLU   3          2HG       GLU   3   4.812  -4.291  20.650
   25    HA   PRO   4           HA       PRO   4   1.052  -1.875  25.946
   26   1HB   PRO   4          1HB       PRO   4   0.873   0.291  24.063
   27   2HB   PRO   4          2HB       PRO   4   1.430   0.386  25.729
   28   1HG   PRO   4          1HG       PRO   4   3.011   0.461  23.266
   29   2HG   PRO   4          2HG       PRO   4   3.551   0.775  24.922
   30   1HD   PRO   4          1HD       PRO   4   4.132  -1.548  23.338
   31   2HD   PRO   4          2HD       PRO   4   4.502  -1.323  25.054
   32    H    VAL   5           H        VAL   5   1.010  -3.914  24.201
   33    HA   VAL   5           HA       VAL   5   0.503  -3.720  21.647
   34    HB   VAL   5           HB       VAL   5   0.515  -5.879  22.420
   35   1HG1  VAL   5          1HG1      VAL   5  -0.957  -6.856  24.133
   36   2HG1  VAL   5          2HG1      VAL   5  -0.287  -5.357  24.760
   37   3HG1  VAL   5          3HG1      VAL   5  -1.947  -5.400  24.171
   38   1HG2  VAL   5          1HG2      VAL   5  -1.582  -5.187  20.754
   39   2HG2  VAL   5          2HG2      VAL   5  -0.982  -6.820  21.026
   40   3HG2  VAL   5          3HG2      VAL   5  -2.361  -6.223  21.953
   41    H    ASP   6           H        ASP   6  -0.597  -2.483  20.479
   42    HA   ASP   6           HA       ASP   6  -2.930  -1.924  19.623
   43   1HB   ASP   6          2HB       ASP   6  -2.070  -2.966  17.787
   44   2HB   ASP   6          1HB       ASP   6  -1.000  -3.882  18.804
   45    HA   PRO   7           HA       PRO   7  -5.586  -4.037  18.550
   46   1HB   PRO   7          1HB       PRO   7  -7.295  -1.777  18.497
   47   2HB   PRO   7          2HB       PRO   7  -7.728  -3.397  19.037
   48   1HG   PRO   7          1HG       PRO   7  -7.230  -0.998  20.625
   49   2HG   PRO   7          2HG       PRO   7  -7.942  -2.549  21.131
   50   1HD   PRO   7          1HD       PRO   7  -5.277  -1.565  21.711
   51   2HD   PRO   7          2HD       PRO   7  -5.942  -3.159  22.131
   52    H    CYS   8           H        CYS   8  -4.544  -3.667  17.164
   53    HA   CYS   8           HA       CYS   8  -3.477  -2.861  15.171
   54   1HB   CYS   8          2HB       CYS   8  -5.853  -2.431  15.100
   55   2HB   CYS   8          1HB       CYS   8  -5.647  -0.959  16.018
   56    H    PHE   9           H        PHE   9  -3.257  -0.996  17.900
   57    HA   PHE   9           HA       PHE   9  -1.615   1.112  17.513
   58   1HB   PHE   9          1HB       PHE   9  -2.113  -0.121  19.695
   59   2HB   PHE   9          2HB       PHE   9  -0.671  -1.087  19.342
   60    HD1  PHE   9           HD1      PHE   9  -1.594   2.601  19.133
   61    HD2  PHE   9           HD2      PHE   9   1.242  -0.418  20.496
   62    HE1  PHE   9           HE1      PHE   9  -0.141   4.409  20.111
   63    HE2  PHE   9           HE2      PHE   9   2.711   1.392  21.452
   64    HZ   PHE   9           HZ       PHE   9   2.014   3.803  21.267
   65    H    ARG  10           H        ARG  10   0.810  -0.504  18.505
   66    HA   ARG  10           HA       ARG  10   2.791  -1.418  17.413
   67   1HB   ARG  10          2HB       ARG  10   0.754  -2.845  18.691
   68   2HB   ARG  10          1HB       ARG  10   1.127  -3.843  17.283
   69   1HG   ARG  10          2HG       ARG  10   3.649  -3.042  18.335
   70   2HG   ARG  10          1HG       ARG  10   2.673  -3.348  19.734
   71   1HD   ARG  10          1HD       ARG  10   3.947  -5.411  18.829
   72   2HD   ARG  10          2HD       ARG  10   2.198  -5.665  18.989
   73    HE   ARG  10           HE       ARG  10   3.424  -4.917  16.393
   74   1HH1  ARG  10          1HH2      ARG  10   0.241  -5.955  17.468
   75   2HH1  ARG  10          2HH2      ARG  10   0.267  -6.271  15.765
   76   1HH2  ARG  10          2HH1      ARG  10   3.361  -7.949  16.863
   77   2HH2  ARG  10          1HH1      ARG  10   2.109  -8.160  15.685
   78    H    ALA  11           H        ALA  11  -0.004  -2.331  16.197
   79    HA   ALA  11           HA       ALA  11  -0.369  -4.024  14.314
   80   1HB   ALA  11          1HB       ALA  11  -0.352  -1.098  13.432
   81   2HB   ALA  11          2HB       ALA  11  -0.886  -2.375  12.335
   82   3HB   ALA  11          3HB       ALA  11  -1.741  -2.099  13.850
   83    H    ASN  12           H        ASN  12   0.470  -3.063  11.483
   84    HA   ASN  12           HA       ASN  12   3.095  -2.006  11.964
   85   1HB   ASN  12          1HB       ASN  12   2.789  -4.812  10.915
   86   2HB   ASN  12          2HB       ASN  12   3.996  -3.820  10.103
   87   1HD2  ASN  12          1HD2      ASN  12   3.673  -5.610  13.423
   88   2HD2  ASN  12          2HD2      ASN  12   4.922  -6.129  12.307
   89    H    CYS  13           H        CYS  13   0.476  -1.419  10.662
   90    HA   CYS  13           HA       CYS  13   0.357  -1.223   8.059
   91   1HB   CYS  13          1HB       CYS  13  -0.001   1.300   9.784
   92   2HB   CYS  13          2HB       CYS  13  -0.830   0.868   8.274
   93    H    GLU  14           H        GLU  14   2.258  -1.406   7.042
   94    HA   GLU  14           HA       GLU  14   3.680   0.212   5.609
   95   1HB   GLU  14          2HB       GLU  14   2.120  -1.299   4.401
   96   2HB   GLU  14          1HB       GLU  14   0.782  -0.339   4.926
   97   1HG   GLU  14          1HG       GLU  14   1.115   0.349   2.672
   98   2HG   GLU  14          2HG       GLU  14   1.890   1.638   3.566
   99    H    TYR  15           H        TYR  15   0.421   1.390   5.206
  100    HA   TYR  15           HA       TYR  15   1.044   4.089   6.076
  101   1HB   TYR  15          2HB       TYR  15  -0.634   3.115   4.285
  102   2HB   TYR  15          1HB       TYR  15  -1.744   2.937   5.616
  103    HD1  TYR  15           HD1      TYR  15  -2.264   5.255   6.994
  104    HD2  TYR  15           HD2      TYR  15  -0.291   5.061   3.102
  105    HE1  TYR  15           HE1      TYR  15  -3.025   7.579   6.497
  106    HE2  TYR  15           HE2      TYR  15  -1.060   7.407   2.606
  107    HH   TYR  15           HH       TYR  15  -3.393   8.939   3.933
  108    H    GLN  16           H        GLN  16  -1.813   3.672   7.143
  109    HA   GLN  16           HA       GLN  16  -0.902   3.074   9.916
  110   1HB   GLN  16          1HB       GLN  16  -1.860   5.441   9.007
  111   2HB   GLN  16          2HB       GLN  16  -3.361   4.737   9.593
  112   1HG   GLN  16          1HG       GLN  16  -2.156   4.309  11.822
  113   2HG   GLN  16          2HG       GLN  16  -0.718   5.052  11.149
  114   1HE2  GLN  16          2HE2      GLN  16  -3.653   5.711  12.869
  115   2HE2  GLN  16          1HE2      GLN  16  -4.229   7.042  11.883
  116    H    CYS  17           H        CYS  17  -3.218   3.435  11.037
  117    HA   CYS  17           HA       CYS  17  -3.568   0.488  11.046
  118   1HB   CYS  17          1HB       CYS  17  -2.403   0.766  12.978
  119   2HB   CYS  17          2HB       CYS  17  -2.783   2.472  13.077
  120    H    GLN  18           H        GLN  18  -5.496   0.101  10.123
  121    HA   GLN  18           HA       GLN  18  -7.839   1.222  11.477
  122   1HB   GLN  18          1HB       GLN  18  -7.569   0.996   8.930
  123   2HB   GLN  18          2HB       GLN  18  -7.730  -0.742   9.177
  124   1HG   GLN  18          1HG       GLN  18  -9.962  -0.084   8.665
  125   2HG   GLN  18          2HG       GLN  18  -9.973  -0.139  10.424
  126   1HE2  GLN  18          1HE2      GLN  18  -8.296   2.625   8.680
  127   2HE2  GLN  18          2HE2      GLN  18  -9.842   3.103   8.007
  128    HA   PRO  19           HA       PRO  19  -8.392  -2.565  13.934
  129   1HB   PRO  19          1HB       PRO  19 -10.488  -0.824  15.055
  130   2HB   PRO  19          2HB       PRO  19  -9.226  -1.741  15.873
  131   1HG   PRO  19          1HG       PRO  19  -9.149   1.022  15.540
  132   2HG   PRO  19          2HG       PRO  19  -7.721   0.006  15.791
  133   1HD   PRO  19          1HD       PRO  19  -8.647   1.324  13.288
  134   2HD   PRO  19          2HD       PRO  19  -7.017   0.772  13.718
  135    H    LEU  20           H        LEU  20  -9.240  -3.005  11.398
  136    HA   LEU  20           HA       LEU  20 -10.083  -5.184  11.700
  137   1HB   LEU  20          1HB       LEU  20 -10.838  -5.264  13.869
  138   2HB   LEU  20          2HB       LEU  20 -11.886  -3.867  13.698
  139    HG   LEU  20           HG       LEU  20 -12.587  -6.078  11.931
  140   1HD1  LEU  20          1HD1      LEU  20 -12.996  -6.583  14.900
  141   2HD1  LEU  20          2HD1      LEU  20 -13.317  -7.683  13.559
  142   3HD1  LEU  20          3HD1      LEU  20 -11.655  -7.279  13.991
  143   1HD2  LEU  20          1HD2      LEU  20 -13.884  -3.872  12.989
  144   2HD2  LEU  20          2HD2      LEU  20 -14.705  -5.241  12.232
  145   3HD2  LEU  20          3HD2      LEU  20 -14.530  -5.171  13.985
  146    H    ASN  21           H        ASN  21 -12.236  -2.981  11.689
  147    HA   ASN  21           HA       ASN  21 -14.219  -2.367  10.290
  148   1HB   ASN  21          2HB       ASN  21 -11.948  -2.462   8.823
  149   2HB   ASN  21          1HB       ASN  21 -12.820  -3.797   8.033
  150   1HD2  ASN  21           HD2      ASN  21 -12.085  -1.067   7.015
  151    H    GLN  22           H        GLN  22 -13.442  -5.706  10.651
  152    HA   GLN  22           HA       GLN  22 -14.933  -7.472   9.807
  153   1HB   GLN  22          1HB       GLN  22 -15.401  -5.345   7.686
  154   2HB   GLN  22          2HB       GLN  22 -15.646  -7.029   7.287
  155   1HG   GLN  22          1HG       GLN  22 -16.961  -6.493   9.822
  156   2HG   GLN  22          2HG       GLN  22 -17.470  -5.286   8.646
  157   1HE2  GLN  22          1HE2      GLN  22 -19.804  -7.006   8.843
  158   2HE2  GLN  22          2HE2      GLN  22 -19.576  -6.536   7.169
  159    H    THR  23           H        THR  23 -12.715  -5.390   8.022
  160    HA   THR  23           HA       THR  23 -11.199  -7.394   6.801
  161    HB   THR  23           HB       THR  23  -9.699  -5.292   8.360
  162    HG1  THR  23           HG1      THR  23 -10.432  -3.816   6.705
  163   1HG2  THR  23          1HG2      THR  23  -9.540  -6.564   5.628
  164   2HG2  THR  23          2HG2      THR  23  -8.949  -4.911   5.790
  165   3HG2  THR  23          3HG2      THR  23  -8.244  -6.199   6.769
  166    H    SER  24           H        SER  24 -11.528  -6.521   9.928
  167    HA   SER  24           HA       SER  24 -10.512  -7.033  11.967
  168   1HB   SER  24          1HB       SER  24 -10.147  -9.259  12.531
  169   2HB   SER  24          2HB       SER  24 -11.565  -9.109  11.514
  170    HG   SER  24           HG       SER  24  -9.771 -10.779  11.138
  171    H    TYR  25           H        TYR  25  -8.613  -6.702  12.817
  172    HA   TYR  25           HA       TYR  25  -8.404  -4.632  11.019
  173   1HB   TYR  25          2HB       TYR  25  -7.037  -3.461  12.814
  174   2HB   TYR  25          1HB       TYR  25  -8.289  -4.489  13.525
  175    HD1  TYR  25           HD1      TYR  25  -7.712  -6.703  14.569
  176    HD2  TYR  25           HD2      TYR  25  -4.670  -3.952  13.087
  177    HE1  TYR  25           HE1      TYR  25  -5.946  -7.981  15.826
  178    HE2  TYR  25           HE2      TYR  25  -2.901  -5.233  14.338
  179    HH   TYR  25           HH       TYR  25  -2.541  -7.449  15.340
  180    H    LEU  26           H        LEU  26  -6.894  -3.458  10.183
  181    HA   LEU  26           HA       LEU  26  -5.616  -5.528   8.549
  182   1HB   LEU  26          2HB       LEU  26  -6.622  -4.487   6.668
  183   2HB   LEU  26          1HB       LEU  26  -7.770  -4.656   8.010
  184    HG   LEU  26           HG       LEU  26  -6.593  -2.135   8.344
  185   1HD1  LEU  26          1HD1      LEU  26  -7.885  -2.301   5.616
  186   2HD1  LEU  26          2HD1      LEU  26  -6.872  -1.016   6.290
  187   3HD1  LEU  26          3HD1      LEU  26  -6.144  -2.551   5.786
  188   1HD2  LEU  26          1HD2      LEU  26  -8.777  -2.537   9.146
  189   2HD2  LEU  26          2HD2      LEU  26  -9.129  -1.603   7.680
  190   3HD2  LEU  26          3HD2      LEU  26  -9.268  -3.369   7.674
  191    H    CYS  27           H        CYS  27  -4.945  -3.196   6.622
  192    HA   CYS  27           HA       CYS  27  -4.192  -1.211   8.636
  193   1HB   CYS  27          1HB       CYS  27  -2.133  -2.219   6.677
  194   2HB   CYS  27          2HB       CYS  27  -2.045  -0.561   7.293
  195    H    VAL  28           H        VAL  28  -4.442   0.789   8.092
  196    HA   VAL  28           HA       VAL  28  -6.316   1.401   6.104
  197    HB   VAL  28           HB       VAL  28  -6.264   3.568   6.934
  198   1HG1  VAL  28          1HG1      VAL  28  -6.494   2.895   9.077
  199   2HG1  VAL  28          2HG1      VAL  28  -5.081   1.866   9.103
  200   3HG1  VAL  28          3HG1      VAL  28  -4.913   3.599   9.243
  201   1HG2  VAL  28          1HG2      VAL  28  -4.433   4.557   6.002
  202   2HG2  VAL  28          2HG2      VAL  28  -4.030   4.653   7.717
  203   3HG2  VAL  28          3HG2      VAL  28  -3.317   3.393   6.709
  204    H    CYS  29           H        CYS  29  -6.148   2.425   4.131
  205    HA   CYS  29           HA       CYS  29  -3.548   1.815   2.910
  206   1HB   CYS  29          1HB       CYS  29  -6.367   1.373   2.220
  207   2HB   CYS  29          2HB       CYS  29  -5.393   1.893   0.847
  208    H    ALA  30           H        ALA  30  -5.862   3.989   2.957
  209    HA   ALA  30           HA       ALA  30  -6.274   6.244   2.155
  210   1HB   ALA  30          1HB       ALA  30  -3.398   6.876   1.865
  211   2HB   ALA  30          2HB       ALA  30  -4.518   7.427   3.114
  212   3HB   ALA  30          3HB       ALA  30  -3.676   5.889   3.301
  213    H    GLU  31           H        GLU  31  -7.183   5.446   0.115
  214    HA   GLU  31           HA       GLU  31  -5.850   3.844  -1.363
  215   1HB   GLU  31          2HB       GLU  31  -7.862   3.743  -2.371
  216   2HB   GLU  31          1HB       GLU  31  -8.355   4.981  -1.277
  217   1HG   GLU  31          1HG       GLU  31  -7.213   5.601  -4.032
  218   2HG   GLU  31          2HG       GLU  31  -8.936   5.525  -3.647
  219    H    GLY  32           H        GLY  32  -5.747   4.524  -4.278
  220   1HA   GLY  32          2HA       GLY  32  -3.307   4.846  -4.815
  221   2HA   GLY  32          1HA       GLY  32  -3.064   4.763  -3.039
  222    H    PHE  33           H        PHE  33  -5.140   2.541  -2.761
  223    HA   PHE  33           HA       PHE  33  -2.604   1.009  -2.461
  224   1HB   PHE  33          2HB       PHE  33  -3.845   2.980  -0.427
  225   2HB   PHE  33          1HB       PHE  33  -2.746   1.665   0.023
  226    HD1  PHE  33           HD1      PHE  33  -2.650   5.043  -0.533
  227    HD2  PHE  33           HD2      PHE  33  -0.669   1.371  -1.757
  228    HE1  PHE  33           HE1      PHE  33  -0.544   6.336  -0.984
  229    HE2  PHE  33           HE2      PHE  33   1.457   2.624  -2.154
  230    HZ   PHE  33           HZ       PHE  33   1.525   5.135  -1.801
  231    H    ALA  34           H        ALA  34  -3.285  -0.878  -2.784
  232    HA   ALA  34           HA       ALA  34  -5.179  -2.013  -0.924
  233   1HB   ALA  34          1HB       ALA  34  -5.932  -1.543  -3.861
  234   2HB   ALA  34          2HB       ALA  34  -6.695  -2.830  -2.930
  235   3HB   ALA  34          3HB       ALA  34  -6.881  -1.148  -2.430
  236    HA   PRO  35           HA       PRO  35  -2.472  -4.315  -0.383
  237   1HB   PRO  35          1HB       PRO  35  -3.435  -7.065  -0.489
  238   2HB   PRO  35          2HB       PRO  35  -3.301  -6.017   0.921
  239   1HG   PRO  35          1HG       PRO  35  -5.719  -6.785  -0.478
  240   2HG   PRO  35          2HG       PRO  35  -5.583  -5.752   0.940
  241   1HD   PRO  35          2HD       PRO  35  -6.207  -4.930  -1.768
  242   2HD   PRO  35          1HD       PRO  35  -5.997  -3.882  -0.355
  243    H    ILE  36           H        ILE  36  -1.084  -3.910  -2.162
  244    HA   ILE  36           HA       ILE  36  -0.276  -5.473  -4.125
  245    HB   ILE  36           HB       ILE  36   1.250  -3.865  -3.337
  246   1HG1  ILE  36          1HG1      ILE  36   2.220  -6.395  -3.780
  247   2HG1  ILE  36          2HG1      ILE  36   3.128  -4.908  -3.737
  248   1HG2  ILE  36          1HG2      ILE  36   0.693  -3.420  -1.118
  249   2HG2  ILE  36          2HG2      ILE  36   0.718  -5.117  -0.691
  250   3HG2  ILE  36          3HG2      ILE  36   2.232  -4.222  -0.860
  251   1HD1  ILE  36          1HD1      ILE  36   2.528  -6.400  -1.170
  252   2HD1  ILE  36          2HD1      ILE  36   3.899  -6.861  -2.200
  253   3HD1  ILE  36          3HD1      ILE  36   3.822  -5.238  -1.495
  254    HA   PRO  37           HA       PRO  37   0.109  -9.837  -2.911
  255   1HB   PRO  37          1HB       PRO  37   2.625  -9.631  -4.462
  256   2HB   PRO  37          2HB       PRO  37   1.267 -10.733  -4.724
  257   1HG   PRO  37          1HG       PRO  37   1.862  -8.435  -6.280
  258   2HG   PRO  37          2HG       PRO  37   0.332  -9.305  -6.302
  259   1HD   PRO  37          1HD       PRO  37   0.873  -6.659  -5.213
  260   2HD   PRO  37          2HD       PRO  37  -0.691  -7.486  -5.309
  261    H    HIS  38           H        HIS  38   1.657  -8.582  -0.227
  262    HA   HIS  38           HA       HIS  38   0.586 -11.033  -1.404
  263   1HB   HIS  38          1HB       HIS  38   1.375 -11.531   1.356
  264   2HB   HIS  38          2HB       HIS  38   1.749 -12.507  -0.072
  265    HD1  HIS  38           HD1      HIS  38   3.839 -11.428   2.538
  266    HD2  HIS  38           HD2      HIS  38   3.734 -10.740  -1.572
  267    HE1  HIS  38           HE1      HIS  38   5.746  -9.716   1.975
  268    H    GLU  39           H        GLU  39   0.472  -8.669   0.713
  269    HA   GLU  39           HA       GLU  39  -1.010 -10.256   2.713
  270   1HB   GLU  39          2HB       GLU  39   0.705  -7.876   3.484
  271   2HB   GLU  39          1HB       GLU  39   0.344  -9.313   4.437
  272   1HG   GLU  39          1HG       GLU  39   1.896  -9.704   1.888
  273   2HG   GLU  39          2HG       GLU  39   2.761  -8.976   3.146
  274    HA   PRO  40           HA       PRO  40  -3.651  -6.699   3.951
  275   1HB   PRO  40          1HB       PRO  40  -3.702  -7.654   6.668
  276   2HB   PRO  40          2HB       PRO  40  -5.002  -7.758   5.486
  277   1HG   PRO  40          1HG       PRO  40  -3.315  -9.915   6.472
  278   2HG   PRO  40          2HG       PRO  40  -4.671 -10.027   5.357
  279   1HD   PRO  40          1HD       PRO  40  -1.835 -10.224   4.722
  280   2HD   PRO  40          2HD       PRO  40  -3.202 -10.345   3.603
  281    H    HIS  41           H        HIS  41  -1.159  -5.667   3.664
  282    HA   HIS  41           HA       HIS  41  -2.371  -3.835   5.483
  283   1HB   HIS  41          2HB       HIS  41  -0.034  -3.061   6.395
  284   2HB   HIS  41          1HB       HIS  41  -0.916  -4.349   7.209
  285    HD1  HIS  41           HD1      HIS  41  -0.118  -6.941   5.610
  286    HD2  HIS  41           HD2      HIS  41   2.461  -3.679   6.386
  287    HE1  HIS  41           HE1      HIS  41   2.262  -7.857   5.436
  288    H    ARG  42           H        ARG  42   0.699  -3.514   4.665
  289    HA   ARG  42           HA       ARG  42   2.062  -3.154   2.881
  290   1HB   ARG  42          2HB       ARG  42  -0.256  -4.402   1.355
  291   2HB   ARG  42          1HB       ARG  42   1.457  -4.456   0.999
  292   1HG   ARG  42          1HG       ARG  42   1.026  -5.479   3.660
  293   2HG   ARG  42          2HG       ARG  42  -0.007  -6.311   2.483
  294   1HD   ARG  42          2HD       ARG  42   1.822  -7.549   1.829
  295   2HD   ARG  42          1HD       ARG  42   2.584  -6.072   1.236
  296    HE   ARG  42           HE       ARG  42   2.924  -6.324   4.062
  297   1HH1  ARG  42          2HH2      ARG  42   4.063  -7.011   0.798
  298   2HH1  ARG  42          1HH2      ARG  42   5.399  -7.984   1.314
  299   1HH2  ARG  42          2HH1      ARG  42   5.128  -6.927   4.653
  300   2HH2  ARG  42          1HH1      ARG  42   6.032  -7.916   3.552
  301    H    CYS  43           H        CYS  43  -0.985  -2.413   2.017
  302    HA   CYS  43           HA       CYS  43  -0.968  -2.345  -0.699
  303   1HB   CYS  43          2HB       CYS  43  -2.184  -0.047  -0.708
  304   2HB   CYS  43          1HB       CYS  43  -2.983  -1.521  -0.176
  305    H    GLN  44           H        GLN  44  -0.208  -1.380  -2.428
  306    HA   GLN  44           HA       GLN  44   1.725   0.654  -1.896
  307   1HB   GLN  44          2HB       GLN  44   2.385  -2.070  -1.314
  308   2HB   GLN  44          1HB       GLN  44   3.167  -1.769  -2.845
  309   1HG   GLN  44          1HG       GLN  44   4.034   0.463  -1.612
  310   2HG   GLN  44          2HG       GLN  44   3.706  -0.473  -0.159
  311   1HE2  GLN  44          2HE2      GLN  44   4.286  -3.022  -0.880
  312   2HE2  GLN  44          1HE2      GLN  44   6.035  -3.059  -0.762
  313    H    MET  45           H        MET  45   1.593   1.750  -4.179
  314    HA   MET  45           HA       MET  45  -0.992   1.185  -3.720
  315   1HB   MET  45          1HB       MET  45  -1.424   1.929  -6.293
  316   2HB   MET  45          2HB       MET  45  -0.712   3.075  -5.176
  317   1HG   MET  45          1HG       MET  45   0.550   3.062  -7.277
  318   2HG   MET  45          2HG       MET  45   1.571   2.385  -6.021
  319   1HE   MET  45          1HE       MET  45   2.984  -0.322  -8.018
  320   2HE   MET  45          2HE       MET  45   3.143   1.428  -7.791
  321   3HE   MET  45          3HE       MET  45   2.921   0.372  -6.388
  322    H    PHE  46           H        PHE  46  -2.741  -0.226  -4.433
  323    HA   PHE  46           HA       PHE  46  -2.583  -2.506  -5.628
  324   1HB   PHE  46          1HB       PHE  46  -4.822  -2.122  -5.744
  325   2HB   PHE  46          2HB       PHE  46  -4.491  -0.554  -5.112
  326    HD1  PHE  46           HD1      PHE  46  -4.448   1.496  -6.498
  327    HD2  PHE  46           HD2      PHE  46  -5.490  -2.404  -8.144
  328    HE1  PHE  46           HE1      PHE  46  -5.415   2.616  -8.534
  329    HE2  PHE  46           HE2      PHE  46  -6.458  -1.287 -10.184
  330    HZ   PHE  46           HZ       PHE  46  -6.415   1.225 -10.380
  331    H    CYS  47           H        CYS  47  -1.515  -3.382  -7.250
  332    HA   CYS  47           HA       CYS  47  -0.601  -1.434  -9.293
  333   1HB   CYS  47          2HB       CYS  47   1.469  -1.771  -8.372
  334   2HB   CYS  47          1HB       CYS  47   0.925  -3.159  -7.455
  335    H    ASN  48           H        ASN  48  -0.092  -5.017  -8.968
  336    HA   ASN  48           HA       ASN  48  -1.565  -6.640  -9.617
  337   1HB   ASN  48          2HB       ASN  48  -3.214  -4.150  -9.757
  338   2HB   ASN  48          1HB       ASN  48  -3.789  -5.431 -10.816
  339   1HD2  ASN  48           HD2      ASN  48  -4.954  -7.010 -10.044
  340    H    GLN  49           H        GLN  49   0.460  -6.534 -11.867
  341    HA   GLN  49           HA       GLN  49  -1.340  -8.575 -11.305
  342   1HB   GLN  49          2HB       GLN  49  -2.003  -9.201 -13.730
  343   2HB   GLN  49          1HB       GLN  49  -2.853  -7.851 -13.022
  344   1HG   GLN  49          2HG       GLN  49  -2.114  -6.459 -14.671
  345   2HG   GLN  49          1HG       GLN  49  -0.438  -6.861 -14.321
  346   1HE2  GLN  49          2HE2      GLN  49  -0.873  -6.367 -16.774
  347   2HE2  GLN  49          1HE2      GLN  49  -0.897  -7.799 -17.785
  348    H    THR  50           H        THR  50   0.051  -8.890 -14.583
  349    HA   THR  50           HA       THR  50   2.680  -9.122 -13.275
  350    HB   THR  50           HB       THR  50   3.548  -9.407 -15.627
  351    HG1  THR  50           HG1      THR  50   1.365  -9.734 -16.927
  352   1HG2  THR  50          1HG2      THR  50   2.501 -11.575 -16.108
  353   2HG2  THR  50          2HG2      THR  50   1.085 -11.160 -15.143
  354   3HG2  THR  50          3HG2      THR  50   2.643 -11.422 -14.357
  355    H    ALA  51           H        ALA  51   0.880  -6.687 -13.366
  356    HA   ALA  51           HA       ALA  51   1.531  -4.644 -12.617
  357   1HB   ALA  51          1HB       ALA  51   2.667  -6.032 -10.990
  358   2HB   ALA  51          2HB       ALA  51   3.908  -4.886 -11.492
  359   3HB   ALA  51          3HB       ALA  51   3.904  -6.522 -12.153
  360    H    CYS  52           H        CYS  52   4.054  -3.191 -12.544
  361    HA   CYS  52           HA       CYS  52   1.609  -2.507 -14.005
  362   1HB   CYS  52          2HB       CYS  52   1.583  -0.963 -11.759
  363   2HB   CYS  52          1HB       CYS  52   0.948  -2.571 -11.856
  364    HA   PRO  53           HA       PRO  53   5.748  -0.966 -14.138
  365   1HB   PRO  53          2HB       PRO  53   6.053   0.196 -16.788
  366   2HB   PRO  53          1HB       PRO  53   6.669  -1.344 -16.206
  367   1HG   PRO  53          2HG       PRO  53   4.446  -0.904 -17.996
  368   2HG   PRO  53          1HG       PRO  53   5.052  -2.448 -17.399
  369   1HD   PRO  53          2HD       PRO  53   2.593  -1.102 -16.630
  370   2HD   PRO  53          1HD       PRO  53   3.208  -2.642 -16.012
  371    H    ALA  54           H        ALA  54   7.178   0.824 -14.073
  372    HA   ALA  54           HA       ALA  54   6.870   3.416 -13.947
  373   1HB   ALA  54          1HB       ALA  54   9.065   3.482 -14.722
  374   2HB   ALA  54          2HB       ALA  54   8.637   2.773 -16.277
  375   3HB   ALA  54          3HB       ALA  54   8.880   1.732 -14.887
  376    H    ASP  55           H        ASP  55   7.916   4.354 -16.608
  377    HA   ASP  55           HA       ASP  55   7.171   5.740 -18.137
  378   1HB   ASP  55          2HB       ASP  55   6.830   3.822 -19.415
  379   2HB   ASP  55          1HB       ASP  55   5.622   3.189 -18.322
  380    H    CYS  56           H        CYS  56   6.074   6.458 -15.410
  381    HA   CYS  56           HA       CYS  56   4.425   8.358 -15.872
  382   1HB   CYS  56          2HB       CYS  56   7.293   9.191 -15.740
  383   2HB   CYS  56          1HB       CYS  56   5.915   9.554 -14.685
  384    H    ASP  57           H        ASP  57   4.855  10.580 -16.856
  385    HA   ASP  57           HA       ASP  57   5.723  11.948 -18.575
  386   1HB   ASP  57          2HB       ASP  57   7.076  12.394 -16.651
  387   2HB   ASP  57          1HB       ASP  57   7.856  10.823 -16.717
  388    HA   PRO  58           HA       PRO  58   8.214  11.450 -21.776
  389   1HB   PRO  58          2HB       PRO  58   6.225  13.394 -22.631
  390   2HB   PRO  58          1HB       PRO  58   6.912  12.071 -23.563
  391   1HG   PRO  58          2HG       PRO  58   4.257  12.227 -22.416
  392   2HG   PRO  58          1HG       PRO  58   4.939  10.907 -23.357
  393   1HD   PRO  58          2HD       PRO  58   4.426  10.946 -20.501
  394   2HD   PRO  58          1HD       PRO  58   5.140   9.629 -21.443
  395    H    ASN  59           H        ASN  59   5.673  13.570 -20.310
  396    HA   ASN  59           HA       ASN  59   7.841  15.510 -20.035
  397   1HB   ASN  59          2HB       ASN  59   5.322  15.595 -21.343
  398   2HB   ASN  59          1HB       ASN  59   5.064  16.526 -19.861
  399   1HD2  ASN  59          1HD2      ASN  59   6.600  16.322 -22.938
  400   2HD2  ASN  59          2HD2      ASN  59   6.989  18.029 -23.064
  401    H    THR  60           H        THR  60   5.231  14.186 -18.674
  402    HA   THR  60           HA       THR  60   4.640  16.706 -17.533
  403    HB   THR  60           HB       THR  60   2.366  16.060 -17.305
  404    HG1  THR  60           HG1      THR  60   2.218  14.619 -15.879
  405   1HG2  THR  60          1HG2      THR  60   1.848  14.918 -19.271
  406   2HG2  THR  60          2HG2      THR  60   3.043  13.654 -18.979
  407   3HG2  THR  60          3HG2      THR  60   3.555  15.224 -19.597
  408    H    GLN  61           H        GLN  61   6.564  14.849 -16.034
  409    HA   GLN  61           HA       GLN  61   6.003  13.007 -14.534
  410   1HB   GLN  61          2HB       GLN  61   7.317  13.534 -12.654
  411   2HB   GLN  61          1HB       GLN  61   7.935  14.574 -13.909
  412   1HG   GLN  61          2HG       GLN  61   6.434  15.302 -11.411
  413   2HG   GLN  61          1HG       GLN  61   7.736  16.159 -12.220
  414   1HE2  GLN  61          2HE2      GLN  61   7.212  17.749 -13.857
  415   2HE2  GLN  61          1HE2      GLN  61   5.834  17.403 -14.885
  416    H    ALA  62           H        ALA  62   5.613  13.924 -11.676
  417    HA   ALA  62           HA       ALA  62   3.987  12.793 -10.465
  418   1HB   ALA  62          1HB       ALA  62   1.835  14.507 -10.516
  419   2HB   ALA  62          2HB       ALA  62   3.046  15.535 -11.283
  420   3HB   ALA  62          3HB       ALA  62   3.330  14.891  -9.668
  421    H    SER  63           H        SER  63   4.048  11.854 -13.247
  422    HA   SER  63           HA       SER  63   1.340  10.827 -13.383
  423   1HB   SER  63          2HB       SER  63   2.607  10.687 -15.437
  424   2HB   SER  63          1HB       SER  63   3.965   9.919 -14.615
  425    HG   SER  63           HG       SER  63   2.616   8.521 -15.779
  426    H    CYS  64           H        CYS  64   3.819   8.828 -13.265
  427    HA   CYS  64           HA       CYS  64   3.100   6.780 -11.640
  428   1HB   CYS  64          2HB       CYS  64   5.635   6.915 -10.590
  429   2HB   CYS  64          1HB       CYS  64   5.291   6.306 -12.189
  430    H    GLU  65           H        GLU  65   1.695   7.101 -10.097
  431    HA   GLU  65           HA       GLU  65   1.910   9.209  -8.234
  432   1HB   GLU  65          1HB       GLU  65  -0.105   7.668  -9.045
  433   2HB   GLU  65          2HB       GLU  65   0.332   6.657  -7.696
  434   1HG   GLU  65          2HG       GLU  65  -1.301   8.048  -6.717
  435   2HG   GLU  65          1HG       GLU  65   0.198   8.840  -6.243
  436    H    CYS  66           H        CYS  66   3.791   6.723  -8.327
  437    HA   CYS  66           HA       CYS  66   2.739   5.181  -6.388
  438   1HB   CYS  66          1HB       CYS  66   5.397   4.323  -7.319
  439   2HB   CYS  66          2HB       CYS  66   3.802   3.644  -7.688
  440    HA   PRO  67           HA       PRO  67   2.724   4.622  -3.782
  441   1HB   PRO  67          1HB       PRO  67   4.050   3.030  -1.874
  442   2HB   PRO  67          2HB       PRO  67   3.108   2.445  -3.255
  443   1HG   PRO  67          2HG       PRO  67   6.043   2.449  -2.942
  444   2HG   PRO  67          1HG       PRO  67   5.048   1.547  -4.079
  445   1HD   PRO  67          2HD       PRO  67   6.605   3.894  -4.660
  446   2HD   PRO  67          1HD       PRO  67   5.465   3.090  -5.752
  447    H    GLU  68           H        GLU  68   5.319   4.234  -1.955
  448    HA   GLU  68           HA       GLU  68   4.553   5.764   0.154
  449   1HB   GLU  68          2HB       GLU  68   7.483   5.158  -0.430
  450   2HB   GLU  68          1HB       GLU  68   6.861   5.620   1.136
  451   1HG   GLU  68          2HG       GLU  68   5.257   3.576   0.940
  452   2HG   GLU  68          1HG       GLU  68   6.259   3.064  -0.415
  453    H    GLY  69           H        GLY  69   4.424   7.872  -2.012
  454   1HA   GLY  69          2HA       GLY  69   5.888   8.654  -3.636
  455   2HA   GLY  69          1HA       GLY  69   6.658   9.465  -2.235
  456    H    TYR  70           H        TYR  70   6.733   6.529  -4.322
  457    HA   TYR  70           HA       TYR  70   8.701   5.779  -5.264
  458   1HB   TYR  70          2HB       TYR  70  10.017   7.776  -6.170
  459   2HB   TYR  70          1HB       TYR  70   8.292   7.866  -6.455
  460    HD1  TYR  70           HD1      TYR  70  11.159   9.304  -4.600
  461    HD2  TYR  70           HD2      TYR  70   6.841   9.453  -5.194
  462    HE1  TYR  70           HE1      TYR  70  11.072  11.529  -3.424
  463    HE2  TYR  70           HE2      TYR  70   6.749  11.664  -3.994
  464    HH   TYR  70           HH       TYR  70   8.055  13.023  -2.464
  465    H    ILE  71           H        ILE  71   9.919   4.524  -3.487
  466    HA   ILE  71           HA       ILE  71  12.170   5.851  -4.778
  467    HB   ILE  71           HB       ILE  71  12.170   5.963  -2.111
  468   1HG1  ILE  71          1HG1      ILE  71  14.870   5.505  -2.517
  469   2HG1  ILE  71          2HG1      ILE  71  14.308   5.855  -4.135
  470   1HG2  ILE  71          1HG2      ILE  71  13.943   3.570  -2.247
  471   2HG2  ILE  71          2HG2      ILE  71  12.208   3.251  -2.288
  472   3HG2  ILE  71          3HG2      ILE  71  12.907   4.141  -0.938
  473   1HD1  ILE  71          1HD1      ILE  71  13.943   7.632  -1.669
  474   2HD1  ILE  71          2HD1      ILE  71  13.187   7.964  -3.227
  475   3HD1  ILE  71          3HD1      ILE  71  14.945   7.974  -3.080
  476    H    LEU  72           H        LEU  72  10.626   2.558  -4.054
  477    HA   LEU  72           HA       LEU  72  10.018   1.825  -6.174
  478   1HB   LEU  72          1HB       LEU  72   8.798   3.900  -5.976
  479   2HB   LEU  72          2HB       LEU  72  10.268   4.821  -6.030
  480    HG   LEU  72           HG       LEU  72   9.886   3.355  -8.521
  481   1HD1  LEU  72          1HD1      LEU  72   7.870   5.100  -9.042
  482   2HD1  LEU  72          2HD1      LEU  72   7.523   4.769  -7.343
  483   3HD1  LEU  72          3HD1      LEU  72   7.571   3.445  -8.498
  484   1HD2  LEU  72          1HD2      LEU  72   9.637   6.295  -8.523
  485   2HD2  LEU  72          2HD2      LEU  72  10.829   5.262  -9.330
  486   3HD2  LEU  72          3HD2      LEU  72  11.046   5.713  -7.636
  487    H    ASP  73           H        ASP  73  10.604   1.615  -8.584
  488    HA   ASP  73           HA       ASP  73  13.479   1.206  -8.221
  489   1HB   ASP  73          2HB       ASP  73  11.423  -0.998  -7.727
  490   2HB   ASP  73          1HB       ASP  73  13.181  -1.220  -7.731
  491    H    ASP  74           H        ASP  74  13.358   2.000 -10.174
  492    HA   ASP  74           HA       ASP  74  14.109   1.598 -12.385
  493   1HB   ASP  74          2HB       ASP  74  15.174  -0.224 -10.446
  494   2HB   ASP  74          1HB       ASP  74  14.794  -1.236 -11.837
  495    H    GLY  75           H        GLY  75  12.056   1.353 -14.074
  496   1HA   GLY  75          2HA       GLY  75   9.836   0.956 -13.338
  497   2HA   GLY  75          1HA       GLY  75  10.457   0.145 -11.909
  498    H    PHE  76           H        PHE  76   9.494   2.766 -13.333
  499    HA   PHE  76           HA       PHE  76   9.982   4.552 -10.988
  500   1HB   PHE  76          2HB       PHE  76   9.209   5.204 -13.739
  501   2HB   PHE  76          1HB       PHE  76   7.984   5.813 -12.644
  502    HD1  PHE  76           HD1      PHE  76   9.105   6.927 -10.352
  503    HD2  PHE  76           HD2      PHE  76  10.941   6.679 -14.301
  504    HE1  PHE  76           HE1      PHE  76  10.583   8.884  -9.788
  505    HE2  PHE  76           HE2      PHE  76  12.419   8.636 -13.738
  506    HZ   PHE  76           HZ       PHE  76  12.239   9.741 -11.482
  507    H    ILE  77           H        ILE  77   8.880   2.197 -10.609
  508    HA   ILE  77           HA       ILE  77   6.788   1.928 -12.184
  509    HB   ILE  77           HB       ILE  77   7.474  -0.079 -11.979
  510   1HG1  ILE  77          1HG1      ILE  77   5.227  -0.515 -11.217
  511   2HG1  ILE  77          2HG1      ILE  77   6.353  -1.654 -10.546
  512   1HG2  ILE  77          1HG2      ILE  77   8.227   0.181  -9.065
  513   2HG2  ILE  77          2HG2      ILE  77   9.272   0.649 -10.406
  514   3HG2  ILE  77          3HG2      ILE  77   8.778  -1.034 -10.237
  515   1HD1  ILE  77          1HD1      ILE  77   6.304   0.364  -8.587
  516   2HD1  ILE  77          2HD1      ILE  77   5.473  -1.190  -8.501
  517   3HD1  ILE  77          3HD1      ILE  77   4.622   0.232  -9.102
  518    H    CYS  78           H        CYS  78   4.591   0.900 -11.558
  519    HA   CYS  78           HA       CYS  78   3.322   2.458  -9.485
  520   1HB   CYS  78          2HB       CYS  78   3.774   3.776 -11.941
  521   2HB   CYS  78          1HB       CYS  78   2.061   3.506 -11.963
  522    H    THR  79           H        THR  79   1.452   1.865 -12.476
  523    HA   THR  79           HA       THR  79   0.023  -0.095 -10.840
  524    HB   THR  79           HB       THR  79  -0.462   2.283  -9.967
  525    HG1  THR  79           HG1      THR  79  -2.731   1.016 -10.939
  526   1HG2  THR  79          1HG2      THR  79  -1.140   3.882 -11.434
  527   2HG2  THR  79          2HG2      THR  79  -2.560   2.912 -11.835
  528   3HG2  THR  79          3HG2      THR  79  -1.071   2.726 -12.761
  529    H    ASP  80           H        ASP  80   1.111  -0.542 -13.234
  530    HA   ASP  80           HA       ASP  80   0.507  -1.429 -15.275
  531   1HB   ASP  80          1HB       ASP  80  -0.572  -2.636 -13.132
  532   2HB   ASP  80          2HB       ASP  80  -2.100  -2.179 -13.907
  533    H    ILE  81           H        ILE  81  -1.855  -1.961 -16.533
  534    HA   ILE  81           HA       ILE  81  -2.873   0.134 -17.790
  535    HB   ILE  81           HB       ILE  81  -4.480  -2.077 -16.458
  536   1HG1  ILE  81          2HG1      ILE  81  -2.694  -2.673 -18.151
  537   2HG1  ILE  81          1HG1      ILE  81  -4.301  -3.262 -18.502
  538   1HG2  ILE  81          1HG2      ILE  81  -6.178  -1.516 -18.365
  539   2HG2  ILE  81          2HG2      ILE  81  -5.396   0.064 -18.397
  540   3HG2  ILE  81          3HG2      ILE  81  -6.179  -0.503 -16.921
  541   1HD1  ILE  81          1HD1      ILE  81  -4.574  -1.078 -19.949
  542   2HD1  ILE  81          2HD1      ILE  81  -3.568  -2.376 -20.592
  543   3HD1  ILE  81          3HD1      ILE  81  -2.816  -0.968 -19.842
  544    H    ASP  82           H        ASP  82  -3.568   2.249 -17.137
  545    HA   ASP  82           HA       ASP  82  -6.239   1.508 -16.294
  546   1HB   ASP  82          1HB       ASP  82  -5.242   2.389 -14.149
  547   2HB   ASP  82          2HB       ASP  82  -4.826   3.894 -14.962
  548    H    GLU  83           H        GLU  83  -5.851   2.368 -19.232
  549    HA   GLU  83           HA       GLU  83  -8.214   2.406 -17.525
  550   1HB   GLU  83          1HB       GLU  83  -9.554   3.596 -19.405
  551   2HB   GLU  83          2HB       GLU  83  -8.500   4.608 -18.446
  552   1HG   GLU  83          1HG       GLU  83  -7.092   3.457 -20.779
  553   2HG   GLU  83          2HG       GLU  83  -8.486   4.424 -21.246
  554    H1   NAG 121           H1       ASN  21 -14.750   0.152   6.912
  555    H2   NAG 121           H2       ASN  21 -12.389   1.323   8.471
  556    H3   NAG 121           H3       ASN  21 -15.061   2.711   8.101
  557    H4   NAG 121           H4       ASN  21 -12.581   3.488   6.535
  558    H5   NAG 121           H5       ASN  21 -14.950   1.886   5.483
  559   1H6   NAG 121          1H6       ASN  21 -12.699   3.369   4.189
  560   2H6   NAG 121          2H6       ASN  21 -14.282   2.943   3.540
  561   1H8   NAG 121          1H8       ASN  21 -11.802   0.822  11.690
  562   2H8   NAG 121          2H8       ASN  21 -12.880  -0.587  11.721
  563   3H8   NAG 121          3H8       ASN  21 -11.964  -0.202  10.250
  564    HN2  NAG 121           HN2      ASN  21 -14.874   0.101   9.303
  565    HO4  NAG 121           HO4      ASN  21 -14.652   4.255   5.357
  566    HO3  NAG 121           HO3      ASN  21 -13.534   4.457   8.569
  567    HO6  NAG 121           H6       ASN  21 -12.569   0.873   4.055
  568    H1   NAG 148           H1       ASN  48  -4.417  -8.069  -7.436
  569    H2   NAG 148           H2       ASN  48  -6.494  -5.988  -7.721
  570    H3   NAG 148           H3       ASN  48  -8.051  -7.289  -6.091
  571    H4   NAG 148           H4       ASN  48  -8.172  -9.757  -6.684
  572    H5   NAG 148           H5       ASN  48  -5.369 -10.138  -7.163
  573   1H6   NAG 148          1H6       ASN  48  -7.886 -10.743  -8.786
  574   2H6   NAG 148          2H6       ASN  48  -6.990 -11.851  -7.747
  575   1H8   NAG 148          1H8       ASN  48  -4.500  -4.097  -5.776
  576   2H8   NAG 148          2H8       ASN  48  -5.430  -3.676  -4.325
  577   3H8   NAG 148          3H8       ASN  48  -4.282  -5.035  -4.287
  578    HN2  NAG 148           HN2      ASN  48  -4.901  -7.093  -5.565
  579    HO4  NAG 148           HO4      ASN  48  -6.229 -10.151  -5.361
  580    HO3  NAG 148           HO3      ASN  48  -8.006  -6.973  -8.636
  581    HO6  NAG 148           H6       ASN  48  -5.305 -10.862  -9.462
  Start of MODEL    6
    1   1H    HIS   1          1H        HIS   1  -0.056  -9.592  25.330
    2   2H    HIS   1          2H        HIS   1  -0.959  -9.926  26.729
    3   3H    HIS   1          3H        HIS   1  -0.219  -8.409  26.538
    4    HA   HIS   1           HA       HIS   1   0.843 -10.039  28.068
    5   1HB   HIS   1          1HB       HIS   1   0.730 -11.663  25.769
    6   2HB   HIS   1          2HB       HIS   1   2.403 -11.155  25.830
    7    HD2  HIS   1           HD2      HIS   1  -0.015 -12.206  28.714
    8    HE1  HIS   1           HE1      HIS   1   3.540 -14.587  29.078
    9    HE2  HIS   1           HE2      HIS   1   1.248 -14.091  30.141
   10    H    MET   2           H        MET   2   2.510  -9.517  24.928
   11    HA   MET   2           HA       MET   2   3.889  -7.238  26.087
   12   1HB   MET   2          2HB       MET   2   4.506  -8.802  23.979
   13   2HB   MET   2          1HB       MET   2   3.562  -7.628  23.095
   14   1HG   MET   2          1HG       MET   2   5.051  -5.807  24.185
   15   2HG   MET   2          2HG       MET   2   6.086  -7.115  24.730
   16   1HE   MET   2          1HE       MET   2   8.469  -6.221  22.036
   17   2HE   MET   2          2HE       MET   2   8.145  -6.671  23.720
   18   3HE   MET   2          3HE       MET   2   7.621  -5.093  23.107
   19    H    GLU   3           H        GLU   3   3.572  -4.971  24.623
   20    HA   GLU   3           HA       GLU   3   2.380  -3.856  23.015
   21   1HB   GLU   3          2HB       GLU   3   2.015  -5.159  21.049
   22   2HB   GLU   3          1HB       GLU   3   3.265  -6.047  21.919
   23   1HG   GLU   3          1HG       GLU   3   1.156  -7.331  22.979
   24   2HG   GLU   3          2HG       GLU   3   0.346  -6.756  21.528
   25    HA   PRO   4           HA       PRO   4  -1.996  -3.628  23.561
   26   1HB   PRO   4          1HB       PRO   4  -1.403  -0.824  23.160
   27   2HB   PRO   4          2HB       PRO   4  -2.215  -1.559  24.536
   28   1HG   PRO   4          1HG       PRO   4   0.462  -0.472  24.454
   29   2HG   PRO   4          2HG       PRO   4  -0.342  -1.226  25.825
   30   1HD   PRO   4          1HD       PRO   4   1.776  -2.344  24.159
   31   2HD   PRO   4          2HD       PRO   4   1.031  -3.075  25.587
   32    H    VAL   5           H        VAL   5  -3.130  -2.300  21.562
   33    HA   VAL   5           HA       VAL   5  -1.725  -3.716  19.446
   34    HB   VAL   5           HB       VAL   5  -3.827  -5.162  21.064
   35   1HG1  VAL   5          1HG2      VAL   5  -3.810  -6.821  19.504
   36   2HG1  VAL   5          2HG2      VAL   5  -3.067  -5.621  18.447
   37   3HG1  VAL   5          3HG2      VAL   5  -2.055  -6.768  19.325
   38   1HG2  VAL   5          1HG1      VAL   5  -0.842  -5.167  21.359
   39   2HG2  VAL   5          2HG1      VAL   5  -2.105  -5.358  22.581
   40   3HG2  VAL   5          3HG1      VAL   5  -1.676  -6.709  21.536
   41    H    ASP   6           H        ASP   6  -3.462  -1.386  19.737
   42    HA   ASP   6           HA       ASP   6  -4.310  -0.357  17.918
   43   1HB   ASP   6          2HB       ASP   6  -2.885  -0.819  16.153
   44   2HB   ASP   6          1HB       ASP   6  -2.073  -1.783  17.349
   45    HA   PRO   7           HA       PRO   7  -6.154  -1.844  14.507
   46   1HB   PRO   7          1HB       PRO   7  -6.551   0.962  13.955
   47   2HB   PRO   7          2HB       PRO   7  -7.758  -0.311  13.855
   48   1HG   PRO   7          1HG       PRO   7  -7.560   1.779  15.851
   49   2HG   PRO   7          2HG       PRO   7  -8.772   0.509  15.746
   50   1HD   PRO   7          1HD       PRO   7  -6.532   0.696  17.616
   51   2HD   PRO   7          2HD       PRO   7  -7.809  -0.528  17.574
   52    H    CYS   8           H        CYS   8  -5.009   1.356  15.559
   53    HA   CYS   8           HA       CYS   8  -3.050   1.208  13.417
   54   1HB   CYS   8          2HB       CYS   8  -4.347   3.304  13.762
   55   2HB   CYS   8          1HB       CYS   8  -3.724   3.417  15.407
   56    H    PHE   9           H        PHE   9  -3.166   1.448  16.888
   57    HA   PHE   9           HA       PHE   9  -0.954   2.313  17.913
   58   1HB   PHE   9          2HB       PHE   9  -2.976   0.855  18.756
   59   2HB   PHE   9          1HB       PHE   9  -1.798  -0.451  18.780
   60    HD1  PHE   9           HD1      PHE   9  -0.064  -0.645  20.403
   61    HD2  PHE   9           HD2      PHE   9  -2.473   2.981  20.157
   62    HE1  PHE   9           HE1      PHE   9   0.949   0.163  22.551
   63    HE2  PHE   9           HE2      PHE   9  -1.461   3.797  22.311
   64    HZ   PHE   9           HZ       PHE   9   0.246   2.391  23.516
   65    H    ARG  10           H        ARG  10  -0.007  -0.465  18.822
   66    HA   ARG  10           HA       ARG  10   2.051  -1.571  18.021
   67   1HB   ARG  10          2HB       ARG  10  -0.524  -2.633  18.275
   68   2HB   ARG  10          1HB       ARG  10   0.074  -3.360  16.781
   69   1HG   ARG  10          1HG       ARG  10   2.216  -3.436  18.695
   70   2HG   ARG  10          2HG       ARG  10   0.792  -3.874  19.574
   71   1HD   ARG  10          1HD       ARG  10   0.362  -5.810  18.171
   72   2HD   ARG  10          2HD       ARG  10   1.468  -5.231  16.909
   73    HE   ARG  10           HE       ARG  10   2.180  -6.678  19.302
   74   1HH1  ARG  10          1HH1      ARG  10   3.955  -3.784  17.837
   75   2HH1  ARG  10          2HH1      ARG  10   4.003  -4.802  16.436
   76   1HH2  ARG  10          2HH2      ARG  10   4.717  -7.449  18.072
   77   2HH2  ARG  10          1HH2      ARG  10   5.234  -6.310  19.270
   78    H    ALA  11           H        ALA  11  -0.316  -1.088  15.893
   79    HA   ALA  11           HA       ALA  11   0.189  -2.776  13.804
   80   1HB   ALA  11          1HB       ALA  11  -1.253  -1.552  12.361
   81   2HB   ALA  11          2HB       ALA  11  -1.667  -0.843  13.923
   82   3HB   ALA  11          3HB       ALA  11  -0.568   0.004  12.835
   83    H    ASN  12           H        ASN  12   1.209  -2.776  11.751
   84    HA   ASN  12           HA       ASN  12   3.564  -0.975  11.736
   85   1HB   ASN  12          1HB       ASN  12   4.559  -2.866  10.189
   86   2HB   ASN  12          2HB       ASN  12   4.431  -3.221  11.908
   87   1HD2  ASN  12          1HD2      ASN  12   3.467  -5.191  12.397
   88   2HD2  ASN  12          2HD2      ASN  12   3.292  -6.194  10.969
   89    H    CYS  13           H        CYS  13   0.997  -0.276  10.706
   90    HA   CYS  13           HA       CYS  13   0.486  -0.454   8.153
   91   1HB   CYS  13          1HB       CYS  13   0.803   2.205   9.652
   92   2HB   CYS  13          2HB       CYS  13   0.034   2.074   8.070
   93    H    GLU  14           H        GLU  14   1.976  -1.116   6.882
   94    HA   GLU  14           HA       GLU  14   4.103  -0.020   5.677
   95   1HB   GLU  14          1HB       GLU  14   2.763  -1.710   4.537
   96   2HB   GLU  14          2HB       GLU  14   1.482  -0.565   4.240
   97   1HG   GLU  14          1HG       GLU  14   4.285   0.021   3.214
   98   2HG   GLU  14          2HG       GLU  14   3.238  -1.075   2.323
   99    H    TYR  15           H        TYR  15   1.025   1.309   4.432
  100    HA   TYR  15           HA       TYR  15   2.017   4.009   4.650
  101   1HB   TYR  15          2HB       TYR  15   0.090   2.969   3.171
  102   2HB   TYR  15          1HB       TYR  15  -0.957   3.332   4.537
  103    HD1  TYR  15           HD1      TYR  15  -1.575   5.685   5.020
  104    HD2  TYR  15           HD2      TYR  15   1.364   4.721   1.944
  105    HE1  TYR  15           HE1      TYR  15  -1.772   8.017   4.103
  106    HE2  TYR  15           HE2      TYR  15   1.169   7.057   1.027
  107    HH   TYR  15           HH       TYR  15  -0.981   9.005   1.271
  108    H    GLN  16           H        GLN  16  -0.754   4.547   5.769
  109    HA   GLN  16           HA       GLN  16   0.031   4.163   8.630
  110   1HB   GLN  16          1HB       GLN  16  -0.532   6.576   7.608
  111   2HB   GLN  16          2HB       GLN  16  -2.190   6.075   7.942
  112   1HG   GLN  16          1HG       GLN  16  -1.413   5.534  10.335
  113   2HG   GLN  16          2HG       GLN  16   0.112   6.317   9.945
  114   1HE2  GLN  16          1HE2      GLN  16  -3.500   7.360  10.582
  115   2HE2  GLN  16          2HE2      GLN  16  -3.295   7.979   8.954
  116    H    CYS  17           H        CYS  17  -2.657   5.026   9.322
  117    HA   CYS  17           HA       CYS  17  -3.458   2.187   9.599
  118   1HB   CYS  17          1HB       CYS  17  -4.123   4.463  11.521
  119   2HB   CYS  17          2HB       CYS  17  -4.206   2.744  11.857
  120    H    GLN  18           H        GLN  18  -5.207   1.856   8.000
  121    HA   GLN  18           HA       GLN  18  -7.620   2.889   9.300
  122   1HB   GLN  18          1HB       GLN  18  -7.116   1.853   6.798
  123   2HB   GLN  18          2HB       GLN  18  -7.786   0.431   7.603
  124   1HG   GLN  18          1HG       GLN  18  -9.872   1.284   7.227
  125   2HG   GLN  18          2HG       GLN  18  -9.498   2.573   8.362
  126   1HE2  GLN  18          1HE2      GLN  18  -7.736   4.118   7.302
  127   2HE2  GLN  18          2HE2      GLN  18  -8.114   4.718   5.697
  128    HA   PRO  19           HA       PRO  19  -8.760  -0.831  11.460
  129   1HB   PRO  19          1HB       PRO  19 -10.908   0.909  12.350
  130   2HB   PRO  19          2HB       PRO  19  -9.800  -0.053  13.324
  131   1HG   PRO  19          1HG       PRO  19  -9.775   2.790  13.051
  132   2HG   PRO  19          2HG       PRO  19  -8.551   1.799  13.845
  133   1HD   PRO  19          1HD       PRO  19  -8.386   3.149  11.232
  134   2HD   PRO  19          2HD       PRO  19  -7.089   2.390  12.171
  135    H    LEU  20           H        LEU  20  -9.157  -1.293   9.051
  136    HA   LEU  20           HA       LEU  20 -11.842  -1.322   8.424
  137   1HB   LEU  20          1HB       LEU  20  -9.955  -2.739   7.262
  138   2HB   LEU  20          2HB       LEU  20 -10.208  -3.846   8.600
  139    HG   LEU  20           HG       LEU  20 -12.765  -3.303   8.014
  140   1HD1  LEU  20          1HD1      LEU  20 -11.302  -3.019   5.361
  141   2HD1  LEU  20          2HD1      LEU  20 -13.000  -3.489   5.448
  142   3HD1  LEU  20          3HD1      LEU  20 -12.484  -1.929   6.086
  143   1HD2  LEU  20          1HD2      LEU  20 -12.516  -5.583   8.070
  144   2HD2  LEU  20          2HD2      LEU  20 -12.415  -5.469   6.316
  145   3HD2  LEU  20          3HD2      LEU  20 -10.939  -5.536   7.277
  146    H    ASN  21           H        ASN  21 -11.992  -0.986  10.307
  147    HA   ASN  21           HA       ASN  21 -12.387  -1.906  12.917
  148   1HB   ASN  21          2HB       ASN  21 -14.631  -0.796  13.139
  149   2HB   ASN  21          1HB       ASN  21 -13.501   0.224  12.218
  150   1HD2  ASN  21           HD2      ASN  21 -15.194   1.316  11.184
  151    H    GLN  22           H        GLN  22 -15.220  -3.000  13.626
  152    HA   GLN  22           HA       GLN  22 -14.645  -4.934  14.721
  153   1HB   GLN  22          1HB       GLN  22 -12.719  -5.260  12.393
  154   2HB   GLN  22          2HB       GLN  22 -12.551  -6.255  13.825
  155   1HG   GLN  22          1HG       GLN  22 -15.232  -6.572  13.379
  156   2HG   GLN  22          2HG       GLN  22 -14.683  -6.304  11.727
  157   1HE2  GLN  22          1HE2      GLN  22 -12.504  -7.415  11.263
  158   2HE2  GLN  22          2HE2      GLN  22 -12.593  -9.151  11.499
  159    H    THR  23           H        THR  23 -10.961  -4.427  15.719
  160    HA   THR  23           HA       THR  23 -11.600  -3.720  12.966
  161    HB   THR  23           HB       THR  23  -9.355  -2.936  12.800
  162    HG1  THR  23           HG1      THR  23  -8.283  -4.577  13.688
  163   1HG2  THR  23          1HG2      THR  23  -9.157  -1.405  14.762
  164   2HG2  THR  23          2HG2      THR  23 -10.838  -1.504  14.239
  165   3HG2  THR  23          3HG2      THR  23 -10.307  -2.391  15.664
  166    H    SER  24           H        SER  24 -11.110  -4.871  11.229
  167    HA   SER  24           HA       SER  24  -9.262  -7.068  11.269
  168   1HB   SER  24          1HB       SER  24 -11.115  -5.927   9.444
  169   2HB   SER  24          2HB       SER  24  -9.559  -5.675   8.705
  170    HG   SER  24           HG       SER  24 -10.191  -8.149   9.790
  171    H    TYR  25           H        TYR  25  -9.386  -3.917  10.977
  172    HA   TYR  25           HA       TYR  25  -8.110  -2.163  10.150
  173   1HB   TYR  25          2HB       TYR  25  -6.297  -1.447  11.604
  174   2HB   TYR  25          1HB       TYR  25  -7.516  -2.248  12.562
  175    HD1  TYR  25           HD1      TYR  25  -7.189  -4.866  12.988
  176    HD2  TYR  25           HD2      TYR  25  -4.015  -2.143  11.744
  177    HE1  TYR  25           HE1      TYR  25  -5.467  -6.475  13.864
  178    HE2  TYR  25           HE2      TYR  25  -2.291  -3.757  12.610
  179    HH   TYR  25           HH       TYR  25  -1.944  -5.802  13.552
  180    H    LEU  26           H        LEU  26  -6.850  -1.486   8.899
  181    HA   LEU  26           HA       LEU  26  -6.078  -3.663   7.117
  182   1HB   LEU  26          2HB       LEU  26  -7.673  -2.830   5.682
  183   2HB   LEU  26          1HB       LEU  26  -8.159  -1.898   7.102
  184    HG   LEU  26           HG       LEU  26  -6.413  -0.147   6.267
  185   1HD1  LEU  26          1HD2      LEU  26  -5.497  -0.349   4.197
  186   2HD1  LEU  26          2HD2      LEU  26  -5.921  -2.062   4.321
  187   3HD1  LEU  26          3HD2      LEU  26  -6.996  -0.943   3.486
  188   1HD2  LEU  26          1HD1      LEU  26  -8.177   1.067   5.316
  189   2HD2  LEU  26          2HD1      LEU  26  -8.783  -0.317   4.417
  190   3HD2  LEU  26          3HD1      LEU  26  -9.087  -0.195   6.146
  191    H    CYS  27           H        CYS  27  -4.708  -1.103   8.310
  192    HA   CYS  27           HA       CYS  27  -3.398   0.752   7.687
  193   1HB   CYS  27          1HB       CYS  27  -1.978  -1.829   7.107
  194   2HB   CYS  27          2HB       CYS  27  -1.091  -0.297   6.963
  195    H    VAL  28           H        VAL  28  -2.291   2.037   6.044
  196    HA   VAL  28           HA       VAL  28  -4.531   1.822   4.182
  197    HB   VAL  28           HB       VAL  28  -2.896   4.335   4.385
  198   1HG1  VAL  28          1HG2      VAL  28  -4.994   5.452   4.023
  199   2HG1  VAL  28          2HG2      VAL  28  -4.971   4.087   2.911
  200   3HG1  VAL  28          3HG2      VAL  28  -5.917   3.998   4.394
  201   1HG2  VAL  28          1HG1      VAL  28  -3.901   3.178   6.838
  202   2HG2  VAL  28          2HG1      VAL  28  -3.175   4.760   6.552
  203   3HG2  VAL  28          3HG1      VAL  28  -4.909   4.544   6.404
  204    H    CYS  29           H        CYS  29  -4.229   2.960   2.066
  205    HA   CYS  29           HA       CYS  29  -1.848   1.720   0.921
  206   1HB   CYS  29          1HB       CYS  29  -4.704   2.151   0.051
  207   2HB   CYS  29          2HB       CYS  29  -3.497   1.635  -1.120
  208    H    ALA  30           H        ALA  30  -3.864   4.163   0.546
  209    HA   ALA  30           HA       ALA  30  -3.897   6.280  -0.701
  210   1HB   ALA  30          1HB       ALA  30  -2.061   6.422   1.173
  211   2HB   ALA  30          2HB       ALA  30  -0.883   6.126  -0.105
  212   3HB   ALA  30          3HB       ALA  30  -1.884   7.578  -0.148
  213    H    GLU  31           H        GLU  31  -4.439   5.923  -2.799
  214    HA   GLU  31           HA       GLU  31  -3.776   3.530  -3.469
  215   1HB   GLU  31          1HB       GLU  31  -5.497   5.546  -4.325
  216   2HB   GLU  31          2HB       GLU  31  -4.602   5.195  -5.772
  217   1HG   GLU  31          1HG       GLU  31  -6.282   3.577  -5.941
  218   2HG   GLU  31          2HG       GLU  31  -5.118   2.646  -4.984
  219    H    GLY  32           H        GLY  32  -3.363   3.196  -6.207
  220   1HA   GLY  32          1HA       GLY  32  -1.417   2.501  -7.303
  221   2HA   GLY  32          2HA       GLY  32  -0.465   3.580  -6.244
  222    H    PHE  33           H        PHE  33  -2.830   1.151  -5.045
  223    HA   PHE  33           HA       PHE  33  -0.735  -0.267  -3.636
  224   1HB   PHE  33          2HB       PHE  33  -2.045   2.236  -2.466
  225   2HB   PHE  33          1HB       PHE  33  -1.471   0.932  -1.412
  226    HD1  PHE  33           HD1      PHE  33   0.967   0.382  -1.235
  227    HD2  PHE  33           HD2      PHE  33  -0.481   3.638  -3.732
  228    HE1  PHE  33           HE1      PHE  33   3.287   1.339  -1.319
  229    HE2  PHE  33           HE2      PHE  33   1.844   4.602  -3.833
  230    HZ   PHE  33           HZ       PHE  33   3.731   3.448  -2.624
  231    H    ALA  34           H        ALA  34  -1.891  -2.067  -4.033
  232    HA   ALA  34           HA       ALA  34  -4.243  -2.395  -2.401
  233   1HB   ALA  34          1HB       ALA  34  -5.960  -2.596  -4.069
  234   2HB   ALA  34          2HB       ALA  34  -5.041  -1.193  -4.620
  235   3HB   ALA  34          3HB       ALA  34  -4.794  -2.774  -5.377
  236    HA   PRO  35           HA       PRO  35  -1.505  -3.843  -1.791
  237   1HB   PRO  35          1HB       PRO  35  -1.811  -5.887   0.169
  238   2HB   PRO  35          2HB       PRO  35  -2.054  -4.147   0.380
  239   1HG   PRO  35          1HG       PRO  35  -4.082  -6.283   0.219
  240   2HG   PRO  35          2HG       PRO  35  -4.283  -4.623   0.747
  241   1HD   PRO  35          2HD       PRO  35  -5.100  -5.694  -1.832
  242   2HD   PRO  35          1HD       PRO  35  -5.128  -4.005  -1.330
  243    H    ILE  36           H        ILE  36   0.395  -4.760  -2.211
  244    HA   ILE  36           HA       ILE  36   1.470  -7.067  -2.668
  245    HB   ILE  36           HB       ILE  36   2.656  -5.479  -1.385
  246   1HG1  ILE  36          1HG1      ILE  36   2.747  -8.265  -0.727
  247   2HG1  ILE  36          2HG1      ILE  36   4.045  -7.103  -0.813
  248   1HG2  ILE  36          1HG2      ILE  36   0.589  -4.897   0.073
  249   2HG2  ILE  36          2HG2      ILE  36   1.190  -6.160   1.160
  250   3HG2  ILE  36          3HG2      ILE  36   2.188  -4.754   0.793
  251   1HD1  ILE  36          1HD1      ILE  36   3.265  -6.378   1.572
  252   2HD1  ILE  36          2HD1      ILE  36   2.322  -7.877   1.558
  253   3HD1  ILE  36          3HD1      ILE  36   4.085  -7.943   1.412
  254    HA   PRO  37           HA       PRO  37  -0.584 -10.794  -1.265
  255   1HB   PRO  37          1HB       PRO  37   2.246 -11.369  -0.428
  256   2HB   PRO  37          2HB       PRO  37   1.129 -12.410  -1.297
  257   1HG   PRO  37          1HG       PRO  37   3.173 -10.912  -2.497
  258   2HG   PRO  37          2HG       PRO  37   1.738 -11.447  -3.369
  259   1HD   PRO  37          1HD       PRO  37   2.484  -8.744  -2.618
  260   2HD   PRO  37          2HD       PRO  37   1.082  -9.239  -3.578
  261    H    HIS  38           H        HIS  38   0.786 -12.337   0.683
  262    HA   HIS  38           HA       HIS  38  -0.929 -12.664   2.431
  263   1HB   HIS  38          1HB       HIS  38   0.582 -12.909   4.348
  264   2HB   HIS  38          2HB       HIS  38   1.146 -13.691   2.865
  265    HD1  HIS  38           HD1      HIS  38   3.388 -13.160   4.969
  266    HD2  HIS  38           HD2      HIS  38   2.143 -10.369   2.053
  267    HE1  HIS  38           HE1      HIS  38   5.265 -11.406   4.755
  268    H    GLU  39           H        GLU  39   0.995 -10.507   3.940
  269    HA   GLU  39           HA       GLU  39  -1.041 -10.867   5.929
  270   1HB   GLU  39          2HB       GLU  39   1.403  -9.070   6.091
  271   2HB   GLU  39          1HB       GLU  39   0.535  -9.633   7.502
  272   1HG   GLU  39          2HG       GLU  39   1.443 -11.835   5.757
  273   2HG   GLU  39          1HG       GLU  39   2.784 -10.769   6.035
  274    HA   PRO  40           HA       PRO  40  -3.211  -7.035   5.184
  275   1HB   PRO  40          1HB       PRO  40  -4.292  -7.011   7.879
  276   2HB   PRO  40          2HB       PRO  40  -5.096  -7.352   6.356
  277   1HG   PRO  40          1HG       PRO  40  -4.328  -9.250   8.380
  278   2HG   PRO  40          2HG       PRO  40  -5.075  -9.599   6.825
  279   1HD   PRO  40          1HD       PRO  40  -2.321 -10.099   7.614
  280   2HD   PRO  40          2HD       PRO  40  -3.076 -10.462   6.054
  281    H    HIS  41           H        HIS  41  -0.635  -6.131   5.615
  282    HA   HIS  41           HA       HIS  41  -1.351  -3.817   7.336
  283   1HB   HIS  41          2HB       HIS  41   1.097  -3.587   7.593
  284   2HB   HIS  41          1HB       HIS  41   0.534  -5.099   8.355
  285    HD1  HIS  41           HD1      HIS  41   1.451  -7.423   7.158
  286    HD2  HIS  41           HD2      HIS  41   2.593  -3.778   5.391
  287    HE1  HIS  41           HE1      HIS  41   2.377  -7.975   4.791
  288    H    ARG  42           H        ARG  42  -1.775  -3.553   4.548
  289    HA   ARG  42           HA       ARG  42   0.763  -4.559   3.693
  290   1HB   ARG  42          2HB       ARG  42  -1.938  -4.466   2.316
  291   2HB   ARG  42          1HB       ARG  42  -0.565  -5.357   1.624
  292   1HG   ARG  42          1HG       ARG  42  -0.383  -6.145   4.058
  293   2HG   ARG  42          2HG       ARG  42  -2.135  -5.869   4.065
  294   1HD   ARG  42          2HD       ARG  42  -1.455  -7.262   1.611
  295   2HD   ARG  42          1HD       ARG  42  -0.688  -8.127   2.942
  296    HE   ARG  42           HE       ARG  42  -3.018  -8.132   3.984
  297   1HH1  ARG  42          2HH1      ARG  42  -2.709  -8.516   0.203
  298   2HH1  ARG  42          1HH1      ARG  42  -3.105 -10.025   0.955
  299   1HH2  ARG  42          1HH2      ARG  42  -5.353  -8.156   2.966
  300   2HH2  ARG  42          2HH2      ARG  42  -5.358  -7.799   1.271
  301    H    CYS  43           H        CYS  43  -1.262  -2.595   2.051
  302    HA   CYS  43           HA       CYS  43  -0.508  -2.748  -0.461
  303   1HB   CYS  43          2HB       CYS  43  -0.486   0.118   0.092
  304   2HB   CYS  43          1HB       CYS  43  -1.716  -0.916  -0.685
  305    H    GLN  44           H        GLN  44   1.127  -2.872  -1.596
  306    HA   GLN  44           HA       GLN  44   3.247  -0.995  -1.108
  307   1HB   GLN  44          1HB       GLN  44   3.863  -3.071   0.213
  308   2HB   GLN  44          2HB       GLN  44   3.930  -3.949  -1.292
  309   1HG   GLN  44          1HG       GLN  44   5.546  -1.547  -1.553
  310   2HG   GLN  44          2HG       GLN  44   6.020  -2.394  -0.083
  311   1HE2  GLN  44          2HE2      GLN  44   6.444  -4.938  -0.412
  312   2HE2  GLN  44          1HE2      GLN  44   5.929  -5.540  -1.977
  313    H    MET  45           H        MET  45   4.080  -0.378  -2.938
  314    HA   MET  45           HA       MET  45   1.578  -0.029  -3.864
  315   1HB   MET  45          1HB       MET  45   2.383   1.723  -5.119
  316   2HB   MET  45          2HB       MET  45   3.943   1.241  -4.517
  317   1HG   MET  45          1HG       MET  45   4.482   1.190  -6.743
  318   2HG   MET  45          2HG       MET  45   3.810  -0.417  -6.694
  319   1HE   MET  45          1HE       MET  45   2.927  -0.901  -8.866
  320   2HE   MET  45          2HE       MET  45   2.267   0.286 -10.007
  321   3HE   MET  45          3HE       MET  45   3.930   0.442  -9.423
  322    H    PHE  46           H        PHE  46   0.102  -0.728  -5.158
  323    HA   PHE  46           HA       PHE  46   0.381  -3.377  -6.021
  324   1HB   PHE  46          2HB       PHE  46  -1.849  -2.577  -5.631
  325   2HB   PHE  46          1HB       PHE  46  -1.631  -1.168  -6.648
  326    HD1  PHE  46           HD1      PHE  46  -0.583  -4.608  -7.704
  327    HD2  PHE  46           HD2      PHE  46  -3.649  -1.519  -7.970
  328    HE1  PHE  46           HE1      PHE  46  -1.634  -5.822  -9.640
  329    HE2  PHE  46           HE2      PHE  46  -4.709  -2.737  -9.901
  330    HZ   PHE  46           HZ       PHE  46  -3.701  -4.888 -10.737
  331    H    CYS  47           H        CYS  47   1.791  -4.057  -7.639
  332    HA   CYS  47           HA       CYS  47   0.361  -3.622 -10.050
  333   1HB   CYS  47          2HB       CYS  47   1.788  -1.635 -10.326
  334   2HB   CYS  47          1HB       CYS  47   3.225  -2.557  -9.920
  335    H    ASN  48           H        ASN  48   1.249  -4.931 -11.890
  336    HA   ASN  48           HA       ASN  48   3.432  -6.606 -11.651
  337   1HB   ASN  48          2HB       ASN  48   2.137  -8.835 -11.083
  338   2HB   ASN  48          1HB       ASN  48   2.549  -7.777  -9.741
  339   1HD2  ASN  48           HD2      ASN  48   0.065  -6.164  -9.039
  340    H    GLN  49           H        GLN  49   2.711  -5.823 -14.401
  341    HA   GLN  49           HA       GLN  49   4.628  -7.547 -13.859
  342   1HB   GLN  49          2HB       GLN  49   3.234  -9.425 -13.296
  343   2HB   GLN  49          1HB       GLN  49   2.172  -9.161 -14.657
  344   1HG   GLN  49          2HG       GLN  49   3.918  -9.925 -16.235
  345   2HG   GLN  49          1HG       GLN  49   5.087 -10.057 -14.925
  346   1HE2  GLN  49          1HE2      GLN  49   1.745 -10.940 -14.151
  347   2HE2  GLN  49          2HE2      GLN  49   1.705 -12.380 -15.151
  348    H    THR  50           H        THR  50   6.108  -7.600 -15.673
  349    HA   THR  50           HA       THR  50   6.711  -6.148 -17.372
  350    HB   THR  50           HB       THR  50   4.441  -6.762 -18.484
  351    HG1  THR  50           HG1      THR  50   5.705  -4.301 -18.770
  352   1HG2  THR  50          1HG2      THR  50   2.600  -5.294 -18.304
  353   2HG2  THR  50          2HG2      THR  50   3.584  -3.963 -17.699
  354   3HG2  THR  50          3HG2      THR  50   3.162  -5.303 -16.634
  355    H    ALA  51           H        ALA  51   4.511  -5.394 -14.756
  356    HA   ALA  51           HA       ALA  51   3.405  -3.405 -14.348
  357   1HB   ALA  51          1HB       ALA  51   4.843  -1.886 -13.085
  358   2HB   ALA  51          2HB       ALA  51   6.279  -2.416 -13.961
  359   3HB   ALA  51          3HB       ALA  51   5.480  -3.508 -12.823
  360    H    CYS  52           H        CYS  52   3.878  -0.441 -15.010
  361    HA   CYS  52           HA       CYS  52   1.986  -2.590 -15.477
  362   1HB   CYS  52          1HB       CYS  52   2.240  -0.382 -13.624
  363   2HB   CYS  52          2HB       CYS  52   0.678  -0.260 -14.404
  364    HA   PRO  53           HA       PRO  53   3.628   0.477 -17.094
  365   1HB   PRO  53          2HB       PRO  53   3.017   3.192 -17.468
  366   2HB   PRO  53          1HB       PRO  53   3.174   2.019 -18.767
  367   1HG   PRO  53          2HG       PRO  53   0.739   3.302 -17.737
  368   2HG   PRO  53          1HG       PRO  53   0.950   2.368 -19.218
  369   1HD   PRO  53          2HD       PRO  53  -0.246   1.488 -16.696
  370   2HD   PRO  53          1HD       PRO  53  -0.098   0.566 -18.201
  371    H    ALA  54           H        ALA  54   5.003   2.153 -15.725
  372    HA   ALA  54           HA       ALA  54   4.255   4.180 -14.208
  373   1HB   ALA  54          1HB       ALA  54   5.464   5.602 -15.635
  374   2HB   ALA  54          2HB       ALA  54   4.713   4.952 -17.092
  375   3HB   ALA  54          3HB       ALA  54   5.971   4.034 -16.263
  376    H    ASP  55           H        ASP  55   3.477   6.209 -16.376
  377    HA   ASP  55           HA       ASP  55   1.842   7.707 -16.039
  378   1HB   ASP  55          1HB       ASP  55   0.782   6.621 -17.790
  379   2HB   ASP  55          2HB       ASP  55   0.643   5.114 -16.915
  380    H    CYS  56           H        CYS  56   2.859   7.044 -13.518
  381    HA   CYS  56           HA       CYS  56   1.541   8.279 -11.790
  382   1HB   CYS  56          2HB       CYS  56   2.809   9.888 -14.022
  383   2HB   CYS  56          1HB       CYS  56   3.028   9.981 -12.265
  384    H    ASP  57           H        ASP  57   0.999  11.117 -12.752
  385    HA   ASP  57           HA       ASP  57  -1.136   9.547 -11.485
  386   1HB   ASP  57          2HB       ASP  57   1.150  10.917 -10.504
  387   2HB   ASP  57          1HB       ASP  57  -0.178  11.987 -10.090
  388    HA   PRO  58           HA       PRO  58  -4.412  11.505 -12.639
  389   1HB   PRO  58          2HB       PRO  58  -5.574  12.588 -10.201
  390   2HB   PRO  58          1HB       PRO  58  -5.948  11.067 -11.002
  391   1HG   PRO  58          2HG       PRO  58  -4.469  11.420  -8.555
  392   2HG   PRO  58          1HG       PRO  58  -4.782   9.907  -9.396
  393   1HD   PRO  58          2HD       PRO  58  -2.267  11.381  -9.246
  394   2HD   PRO  58          1HD       PRO  58  -2.560   9.811 -10.017
  395    H    ASN  59           H        ASN  59  -2.450  13.729 -10.765
  396    HA   ASN  59           HA       ASN  59  -4.119  15.940 -11.703
  397   1HB   ASN  59          1HB       ASN  59  -3.518  15.920  -9.255
  398   2HB   ASN  59          2HB       ASN  59  -1.797  15.869  -9.709
  399   1HD2  ASN  59          1HD2      ASN  59  -1.057  17.500 -11.157
  400   2HD2  ASN  59          2HD2      ASN  59  -1.410  19.165 -10.707
  401    H    THR  60           H        THR  60  -1.043  15.144 -11.172
  402    HA   THR  60           HA       THR  60  -0.052  17.162 -13.091
  403    HB   THR  60           HB       THR  60   0.604  17.425 -10.738
  404    HG1  THR  60           HG1      THR  60   2.036  17.681 -12.851
  405   1HG2  THR  60          1HG2      THR  60   0.891  14.823 -10.636
  406   2HG2  THR  60          2HG2      THR  60   1.982  15.845  -9.673
  407   3HG2  THR  60          3HG2      THR  60   2.527  15.154 -11.225
  408    H    GLN  61           H        GLN  61  -0.593  14.345 -14.041
  409    HA   GLN  61           HA       GLN  61   0.370  12.256 -14.149
  410   1HB   GLN  61          1HB       GLN  61   1.485  13.900 -16.057
  411   2HB   GLN  61          2HB       GLN  61   2.937  13.348 -15.260
  412   1HG   GLN  61          2HG       GLN  61   2.481  11.781 -17.061
  413   2HG   GLN  61          1HG       GLN  61   2.091  10.942 -15.565
  414   1HE2  GLN  61          1HE2      GLN  61   0.142  10.004 -15.412
  415   2HE2  GLN  61          2HE2      GLN  61  -1.328  10.857 -15.844
  416    H    ALA  62           H        ALA  62   3.153  11.440 -14.002
  417    HA   ALA  62           HA       ALA  62   5.107  11.628 -12.760
  418   1HB   ALA  62          1HB       ALA  62   5.429  13.405 -14.384
  419   2HB   ALA  62          2HB       ALA  62   5.830  14.166 -12.843
  420   3HB   ALA  62          3HB       ALA  62   4.258  14.456 -13.590
  421    H    SER  63           H        SER  63   3.824  10.847 -10.874
  422    HA   SER  63           HA       SER  63   4.843  12.621  -8.792
  423   1HB   SER  63          2HB       SER  63   2.084  12.603  -9.234
  424   2HB   SER  63          1HB       SER  63   2.244  11.356  -7.997
  425    HG   SER  63           HG       SER  63   3.667  13.046  -7.000
  426    H    CYS  64           H        CYS  64   6.364  10.630  -9.394
  427    HA   CYS  64           HA       CYS  64   4.868   8.160  -8.729
  428   1HB   CYS  64          2HB       CYS  64   6.278   9.076 -11.163
  429   2HB   CYS  64          1HB       CYS  64   6.818   7.484 -10.676
  430    H    GLU  65           H        GLU  65   6.063   6.308  -7.916
  431    HA   GLU  65           HA       GLU  65   7.772   7.771  -6.027
  432   1HB   GLU  65          1HB       GLU  65   5.361   7.683  -5.336
  433   2HB   GLU  65          2HB       GLU  65   5.396   5.941  -5.433
  434   1HG   GLU  65          2HG       GLU  65   5.677   6.333  -3.110
  435   2HG   GLU  65          1HG       GLU  65   7.336   6.089  -3.646
  436    H    CYS  66           H        CYS  66   6.763   4.879  -7.104
  437    HA   CYS  66           HA       CYS  66   7.664   3.388  -4.970
  438   1HB   CYS  66          1HB       CYS  66   6.475   1.884  -7.234
  439   2HB   CYS  66          2HB       CYS  66   5.856   2.211  -5.619
  440    HA   PRO  67           HA       PRO  67   7.019   0.529  -5.906
  441   1HB   PRO  67          1HB       PRO  67   8.357  -1.893  -6.741
  442   2HB   PRO  67          2HB       PRO  67   6.863  -1.165  -7.348
  443   1HG   PRO  67          2HG       PRO  67   9.475  -1.276  -8.616
  444   2HG   PRO  67          1HG       PRO  67   7.962  -0.680  -9.283
  445   1HD   PRO  67          2HD       PRO  67  10.225   0.887  -8.346
  446   2HD   PRO  67          1HD       PRO  67   8.716   1.485  -9.047
  447    H    GLU  68           H        GLU  68   7.926  -1.584  -3.888
  448    HA   GLU  68           HA       GLU  68  10.592  -1.644  -3.807
  449   1HB   GLU  68          2HB       GLU  68  10.549  -4.098  -3.837
  450   2HB   GLU  68          1HB       GLU  68   9.121  -3.506  -3.024
  451   1HG   GLU  68          2HG       GLU  68   7.695  -4.307  -4.661
  452   2HG   GLU  68          1HG       GLU  68   8.796  -3.899  -5.973
  453    H    GLY  69           H        GLY  69   9.795  -0.521  -6.550
  454   1HA   GLY  69          2HA       GLY  69  12.646  -1.324  -6.793
  455   2HA   GLY  69          1HA       GLY  69  11.858  -0.160  -7.901
  456    H    TYR  70           H        TYR  70  10.264   1.138  -5.736
  457    HA   TYR  70           HA       TYR  70  10.671   3.182  -4.696
  458   1HB   TYR  70          2HB       TYR  70  10.811   1.376  -2.879
  459   2HB   TYR  70          1HB       TYR  70  12.541   1.306  -3.132
  460    HD1  TYR  70           HD1      TYR  70  10.378   4.401  -3.138
  461    HD2  TYR  70           HD2      TYR  70  13.382   2.048  -1.026
  462    HE1  TYR  70           HE1      TYR  70  10.697   6.283  -1.496
  463    HE2  TYR  70           HE2      TYR  70  13.704   3.929   0.615
  464    HH   TYR  70           HH       TYR  70  13.034   6.014   1.231
  465    H    ILE  71           H        ILE  71  13.193   2.527  -6.914
  466    HA   ILE  71           HA       ILE  71  11.929   5.063  -6.701
  467    HB   ILE  71           HB       ILE  71  14.538   4.929  -5.648
  468   1HG1  ILE  71          1HG1      ILE  71  14.257   7.561  -5.821
  469   2HG1  ILE  71          2HG1      ILE  71  12.650   7.151  -6.372
  470   1HG2  ILE  71          1HG2      ILE  71  15.975   6.306  -7.005
  471   2HG2  ILE  71          2HG2      ILE  71  14.717   6.538  -8.219
  472   3HG2  ILE  71          3HG2      ILE  71  15.442   4.946  -7.993
  473   1HD1  ILE  71          1HD1      ILE  71  12.206   5.875  -4.295
  474   2HD1  ILE  71          2HD1      ILE  71  12.756   7.498  -3.876
  475   3HD1  ILE  71          3HD1      ILE  71  13.864   6.131  -3.750
  476    H    LEU  72           H        LEU  72  13.236   6.462  -8.946
  477    HA   LEU  72           HA       LEU  72  10.684   5.995  -9.423
  478   1HB   LEU  72          2HB       LEU  72  12.780   6.739 -11.457
  479   2HB   LEU  72          1HB       LEU  72  11.075   6.895 -11.823
  480    HG   LEU  72           HG       LEU  72  12.912   8.504 -10.145
  481   1HD1  LEU  72          1HD2      LEU  72  11.365  10.340 -10.801
  482   2HD1  LEU  72          2HD2      LEU  72  10.307   9.161 -11.582
  483   3HD1  LEU  72          3HD2      LEU  72  11.949   9.430 -12.190
  484   1HD2  LEU  72          1HD1      LEU  72  11.613   7.606  -8.341
  485   2HD2  LEU  72          2HD1      LEU  72  10.098   7.888  -9.212
  486   3HD2  LEU  72          3HD1      LEU  72  11.056   9.266  -8.635
  487    H    ASP  73           H        ASP  73  10.185   5.075 -12.300
  488    HA   ASP  73           HA       ASP  73  11.926   4.710 -13.848
  489   1HB   ASP  73          2HB       ASP  73  13.618   5.021 -12.021
  490   2HB   ASP  73          1HB       ASP  73  13.368   3.370 -11.497
  491    H    ASP  74           H        ASP  74  13.223   2.035 -14.399
  492    HA   ASP  74           HA       ASP  74  12.405   2.484 -16.539
  493   1HB   ASP  74          2HB       ASP  74  10.837   0.532 -17.105
  494   2HB   ASP  74          1HB       ASP  74  12.301   0.064 -16.248
  495    H    GLY  75           H        GLY  75  11.511   4.638 -15.936
  496   1HA   GLY  75          2HA       GLY  75  10.049   5.589 -17.628
  497   2HA   GLY  75          1HA       GLY  75   8.827   4.377 -17.205
  498    H    PHE  76           H        PHE  76   8.875   4.438 -14.865
  499    HA   PHE  76           HA       PHE  76   9.406   6.359 -13.029
  500   1HB   PHE  76          2HB       PHE  76   6.971   7.141 -14.578
  501   2HB   PHE  76          1HB       PHE  76   6.749   7.260 -12.846
  502    HD1  PHE  76           HD1      PHE  76   6.417   9.699 -13.052
  503    HD2  PHE  76           HD2      PHE  76  10.170   7.800 -14.204
  504    HE1  PHE  76           HE1      PHE  76   7.549  11.945 -13.061
  505    HE2  PHE  76           HE2      PHE  76  11.300  10.050 -14.226
  506    HZ   PHE  76           HZ       PHE  76   9.990  12.121 -13.650
  507    H    ILE  77           H        ILE  77   8.680   3.450 -13.198
  508    HA   ILE  77           HA       ILE  77   6.144   3.707 -13.853
  509    HB   ILE  77           HB       ILE  77   6.771   1.772 -14.683
  510   1HG1  ILE  77          1HG1      ILE  77   4.699   1.091 -13.491
  511   2HG1  ILE  77          2HG1      ILE  77   5.801  -0.207 -13.777
  512   1HG2  ILE  77          1HG2      ILE  77   8.104   0.037 -13.140
  513   2HG2  ILE  77          2HG2      ILE  77   8.482   1.523 -12.259
  514   3HG2  ILE  77          3HG2      ILE  77   8.888   1.386 -13.972
  515   1HD1  ILE  77          1HD1      ILE  77   6.605   0.760 -11.242
  516   2HD1  ILE  77          2HD1      ILE  77   5.645  -0.689 -11.541
  517   3HD1  ILE  77          3HD1      ILE  77   4.845   0.845 -11.203
  518    H    CYS  78           H        CYS  78   4.201   2.532 -13.016
  519    HA   CYS  78           HA       CYS  78   2.769   2.426 -11.020
  520   1HB   CYS  78          2HB       CYS  78   4.622   4.698 -10.175
  521   2HB   CYS  78          1HB       CYS  78   3.030   4.548  -9.470
  522    H    THR  79           H        THR  79   0.888   5.207 -10.820
  523    HA   THR  79           HA       THR  79   0.740   2.423 -10.955
  524    HB   THR  79           HB       THR  79  -1.659   2.674 -10.641
  525    HG1  THR  79           HG1      THR  79  -2.612   3.923 -11.886
  526   1HG2  THR  79          1HG2      THR  79  -0.783   5.369  -9.579
  527   2HG2  THR  79          2HG2      THR  79  -0.004   3.922  -8.938
  528   3HG2  THR  79          3HG2      THR  79  -1.750   4.123  -8.790
  529    H    ASP  80           H        ASP  80   0.703   0.994 -13.018
  530    HA   ASP  80           HA       ASP  80  -1.182   0.899 -14.746
  531   1HB   ASP  80          1HB       ASP  80  -0.761  -0.596 -12.372
  532   2HB   ASP  80          2HB       ASP  80  -2.490  -0.217 -12.344
  533    H    ILE  81           H        ILE  81  -2.288   2.922 -15.240
  534    HA   ILE  81           HA       ILE  81  -4.560   3.775 -14.196
  535    HB   ILE  81           HB       ILE  81  -3.770   3.388 -16.723
  536   1HG1  ILE  81          2HG1      ILE  81  -5.968   4.248 -17.481
  537   2HG1  ILE  81          1HG1      ILE  81  -6.670   3.827 -15.939
  538   1HG2  ILE  81          1HG2      ILE  81  -6.175   1.547 -16.707
  539   2HG2  ILE  81          2HG2      ILE  81  -4.544   0.902 -16.520
  540   3HG2  ILE  81          3HG2      ILE  81  -4.978   1.794 -17.979
  541   1HD1  ILE  81          1HD1      ILE  81  -5.705   5.632 -14.848
  542   2HD1  ILE  81          2HD1      ILE  81  -5.637   6.304 -16.477
  543   3HD1  ILE  81          3HD1      ILE  81  -4.211   5.535 -15.777
  544    H    ASP  82           H        ASP  82  -6.871   2.909 -14.382
  545    HA   ASP  82           HA       ASP  82  -7.203   0.749 -12.654
  546   1HB   ASP  82          1HB       ASP  82  -9.571   0.572 -13.791
  547   2HB   ASP  82          2HB       ASP  82  -9.154   2.102 -13.032
  548    H    GLU  83           H        GLU  83  -7.480   0.611 -16.339
  549    HA   GLU  83           HA       GLU  83  -9.357  -1.338 -15.787
  550   1HB   GLU  83          1HB       GLU  83  -8.683  -0.057 -18.048
  551   2HB   GLU  83          2HB       GLU  83  -7.767  -1.510 -18.371
  552   1HG   GLU  83          1HG       GLU  83 -10.345  -2.405 -17.510
  553   2HG   GLU  83          2HG       GLU  83 -10.636  -1.080 -18.634
  554    H1   NAG 121           H1       ASN  21 -16.279   1.652   9.186
  555    H2   NAG 121           H2       ASN  21 -13.734   0.355   8.771
  556    H3   NAG 121           H3       ASN  21 -14.195  -0.480   6.406
  557    H4   NAG 121           H4       ASN  21 -16.578  -1.470   6.185
  558    H5   NAG 121           H5       ASN  21 -17.695   0.854   7.593
  559   1H6   NAG 121          1H6       ASN  21 -19.094  -1.181   8.583
  560   2H6   NAG 121          2H6       ASN  21 -18.301  -2.100   7.303
  561   1H8   NAG 121          1H8       ASN  21 -11.414   2.027   8.274
  562   2H8   NAG 121          2H8       ASN  21 -12.235   1.032   7.053
  563   3H8   NAG 121          3H8       ASN  21 -11.717   2.682   6.655
  564    HN2  NAG 121           HN2      ASN  21 -15.121   2.067   6.813
  565    HO4  NAG 121           HO4      ASN  21 -16.712   1.253   6.027
  566    HO3  NAG 121           HO3      ASN  21 -13.791  -2.033   7.699
  567    HO6  NAG 121           H6       ASN  21 -20.164  -1.278   6.552
  568    H1   NAG 148           H1       ASN  48   1.392  -7.905  -7.567
  569    H2   NAG 148           H2       ASN  48  -1.042  -6.478  -7.174
  570    H3   NAG 148           H3       ASN  48  -2.235  -8.057  -5.599
  571    H4   NAG 148           H4       ASN  48  -1.897 -10.553  -6.319
  572    H5   NAG 148           H5       ASN  48   0.996  -9.940  -6.549
  573   1H6   NAG 148          1H6       ASN  48   0.276 -11.662  -8.614
  574   2H6   NAG 148          2H6       ASN  48  -0.936 -12.033  -7.388
  575   1H8   NAG 148          1H8       ASN  48  -0.794  -4.444  -4.030
  576   2H8   NAG 148          2H8       ASN  48  -1.425  -4.540  -5.678
  577   3H8   NAG 148          3H8       ASN  48  -1.688  -5.889  -4.561
  578    HN2  NAG 148           HN2      ASN  48   0.558  -7.800  -5.074
  579    HO4  NAG 148           HO4      ASN  48  -0.821 -10.772  -4.565
  580    HO3  NAG 148           HO3      ASN  48  -2.201  -9.029  -8.205
  581    HO6  NAG 148           H6       ASN  48   0.936 -12.077  -5.937
  Start of MODEL    7
    1   1H    HIS   1          1H        HIS   1  -5.319 -12.197  20.226
    2   2H    HIS   1          2H        HIS   1  -4.136 -12.097  19.012
    3   3H    HIS   1          3H        HIS   1  -5.186 -13.430  19.066
    4    HA   HIS   1           HA       HIS   1  -4.139 -13.454  21.504
    5   1HB   HIS   1          1HB       HIS   1  -4.369 -15.238  19.487
    6   2HB   HIS   1          2HB       HIS   1  -2.656 -14.921  19.330
    7    HD2  HIS   1           HD2      HIS   1  -1.090 -16.157  21.024
    8    HE1  HIS   1           HE1      HIS   1  -4.004 -17.596  23.830
    9    HE2  HIS   1           HE2      HIS   1  -1.514 -17.687  23.183
   10    H    MET   2           H        MET   2  -2.682 -10.754  20.107
   11    HA   MET   2           HA       MET   2  -3.155 -11.419  22.767
   12   1HB   MET   2          2HB       MET   2  -0.592 -12.258  22.103
   13   2HB   MET   2          1HB       MET   2  -0.258 -10.658  22.718
   14   1HG   MET   2          1HG       MET   2  -1.939 -11.525  24.687
   15   2HG   MET   2          2HG       MET   2  -1.289 -13.072  24.171
   16   1HE   MET   2          1HE       MET   2   2.466 -12.860  24.732
   17   2HE   MET   2          2HE       MET   2   1.606 -12.536  23.217
   18   3HE   MET   2          3HE       MET   2   1.059 -13.840  24.284
   19    H    GLU   3           H        GLU   3  -1.347  -9.542  24.013
   20    HA   GLU   3           HA       GLU   3  -1.232  -7.324  24.474
   21   1HB   GLU   3          2HB       GLU   3  -1.479  -6.503  21.597
   22   2HB   GLU   3          1HB       GLU   3  -0.289  -6.012  22.798
   23   1HG   GLU   3          1HG       GLU   3  -0.352  -8.569  21.145
   24   2HG   GLU   3          2HG       GLU   3   0.869  -7.304  21.145
   25    HA   PRO   4           HA       PRO   4  -5.071  -5.007  23.660
   26   1HB   PRO   4          1HB       PRO   4  -3.682  -2.574  24.330
   27   2HB   PRO   4          2HB       PRO   4  -4.867  -3.422  25.315
   28   1HG   PRO   4          1HG       PRO   4  -1.992  -3.264  25.727
   29   2HG   PRO   4          2HG       PRO   4  -3.189  -4.042  26.757
   30   1HD   PRO   4          1HD       PRO   4  -1.273  -5.325  24.985
   31   2HD   PRO   4          2HD       PRO   4  -2.464  -6.111  26.035
   32    H    VAL   5           H        VAL   5  -3.017  -5.842  21.755
   33    HA   VAL   5           HA       VAL   5  -2.196  -3.639  20.236
   34    HB   VAL   5           HB       VAL   5  -1.243  -5.551  19.420
   35   1HG1  VAL   5          1HG1      VAL   5  -3.612  -6.946  20.374
   36   2HG1  VAL   5          2HG1      VAL   5  -3.221  -7.469  18.744
   37   3HG1  VAL   5          3HG1      VAL   5  -2.000  -7.573  20.001
   38   1HG2  VAL   5          1HG2      VAL   5  -2.789  -4.264  17.574
   39   2HG2  VAL   5          2HG2      VAL   5  -1.667  -5.568  17.183
   40   3HG2  VAL   5          3HG2      VAL   5  -3.383  -5.913  17.398
   41    H    ASP   6           H        ASP   6  -3.391  -2.149  19.015
   42    HA   ASP   6           HA       ASP   6  -5.305  -1.856  20.818
   43   1HB   ASP   6          1HB       ASP   6  -4.712   0.167  19.730
   44   2HB   ASP   6          2HB       ASP   6  -5.209  -0.319  18.227
   45    HA   PRO   7           HA       PRO   7  -6.415  -4.525  17.483
   46   1HB   PRO   7          1HB       PRO   7  -7.198  -3.287  15.035
   47   2HB   PRO   7          2HB       PRO   7  -8.116  -4.496  15.926
   48   1HG   PRO   7          1HG       PRO   7  -8.696  -1.657  15.620
   49   2HG   PRO   7          2HG       PRO   7  -9.679  -2.878  16.418
   50   1HD   PRO   7          1HD       PRO   7  -8.006  -0.824  17.658
   51   2HD   PRO   7          2HD       PRO   7  -9.075  -1.982  18.465
   52    H    CYS   8           H        CYS   8  -6.030  -1.161  16.879
   53    HA   CYS   8           HA       CYS   8  -4.072  -1.265  14.799
   54   1HB   CYS   8          2HB       CYS   8  -5.323   0.748  14.838
   55   2HB   CYS   8          1HB       CYS   8  -5.234   0.863  16.596
   56    H    PHE   9           H        PHE   9  -3.673   0.470  17.790
   57    HA   PHE   9           HA       PHE   9  -1.057   0.553  18.105
   58   1HB   PHE   9          1HB       PHE   9  -2.717   1.265  19.846
   59   2HB   PHE   9          2HB       PHE   9  -2.924  -0.449  20.270
   60    HD1  PHE   9           HD1      PHE   9  -1.657  -1.337  22.059
   61    HD2  PHE   9           HD2      PHE   9  -0.174   2.142  19.886
   62    HE1  PHE   9           HE1      PHE   9   0.288  -1.176  23.647
   63    HE2  PHE   9           HE2      PHE   9   1.773   2.304  21.474
   64    HZ   PHE   9           HZ       PHE   9   2.004   0.645  23.355
   65    H    ARG  10           H        ARG  10   0.478  -0.718  19.566
   66    HA   ARG  10           HA       ARG  10   1.934  -2.369  19.323
   67   1HB   ARG  10          2HB       ARG  10  -0.383  -3.767  19.501
   68   2HB   ARG  10          1HB       ARG  10   0.395  -4.463  18.069
   69   1HG   ARG  10          1HG       ARG  10   1.879  -3.840  20.627
   70   2HG   ARG  10          2HG       ARG  10   0.930  -5.231  20.543
   71   1HD   ARG  10          1HD       ARG  10   2.380  -5.619  18.214
   72   2HD   ARG  10          2HD       ARG  10   3.559  -4.719  19.187
   73    HE   ARG  10           HE       ARG  10   2.290  -7.002  20.508
   74   1HH1  ARG  10          2HH1      ARG  10   5.388  -5.745  18.798
   75   2HH1  ARG  10          1HH1      ARG  10   5.193  -7.323  18.111
   76   1HH2  ARG  10          1HH2      ARG  10   4.939  -7.487  21.698
   77   2HH2  ARG  10          2HH2      ARG  10   4.788  -8.816  20.599
   78    H    ALA  11           H        ALA  11   0.606  -0.851  16.929
   79    HA   ALA  11           HA       ALA  11  -0.394  -2.914  15.536
   80   1HB   ALA  11          1HB       ALA  11  -1.240  -1.448  13.866
   81   2HB   ALA  11          2HB       ALA  11  -0.881  -0.348  15.191
   82   3HB   ALA  11          3HB       ALA  11   0.222  -0.463  13.828
   83    H    ASN  12           H        ASN  12   0.927  -2.508  12.350
   84    HA   ASN  12           HA       ASN  12   2.409  -0.481  13.540
   85   1HB   ASN  12          1HB       ASN  12   3.840  -3.071  13.414
   86   2HB   ASN  12          2HB       ASN  12   4.718  -1.818  12.546
   87   1HD2  ASN  12          2HD2      ASN  12   4.772   0.499  14.024
   88   2HD2  ASN  12          1HD2      ASN  12   6.101  -0.259  14.877
   89    H    CYS  13           H        CYS  13   0.562  -0.915  11.200
   90    HA   CYS  13           HA       CYS  13   1.188   0.165   9.109
   91   1HB   CYS  13          2HB       CYS  13  -0.117   1.369  11.607
   92   2HB   CYS  13          1HB       CYS  13  -0.464   1.870   9.975
   93    H    GLU  14           H        GLU  14   2.280   1.417   8.352
   94    HA   GLU  14           HA       GLU  14   4.435   2.774   9.886
   95   1HB   GLU  14          1HB       GLU  14   5.215   1.015   8.380
   96   2HB   GLU  14          2HB       GLU  14   4.409   1.767   7.028
   97   1HG   GLU  14          1HG       GLU  14   6.130   3.776   8.153
   98   2HG   GLU  14          2HG       GLU  14   7.077   2.296   8.053
   99    H    TYR  15           H        TYR  15   2.634   3.561   6.674
  100    HA   TYR  15           HA       TYR  15   1.895   5.972   7.983
  101   1HB   TYR  15          2HB       TYR  15   1.098   4.713   5.724
  102   2HB   TYR  15          1HB       TYR  15  -0.260   4.235   6.716
  103    HD1  TYR  15           HD1      TYR  15  -1.677   6.131   7.838
  104    HD2  TYR  15           HD2      TYR  15   1.436   6.907   4.880
  105    HE1  TYR  15           HE1      TYR  15  -2.625   8.421   7.443
  106    HE2  TYR  15           HE2      TYR  15   0.482   9.203   4.481
  107    HH   TYR  15           HH       TYR  15  -2.175  10.497   6.469
  108    H    GLN  16           H        GLN  16  -0.874   4.798   8.193
  109    HA   GLN  16           HA       GLN  16  -0.483   3.667  10.914
  110   1HB   GLN  16          1HB       GLN  16  -0.910   6.303  10.720
  111   2HB   GLN  16          2HB       GLN  16  -2.593   5.790  10.658
  112   1HG   GLN  16          1HG       GLN  16  -2.100   4.356  12.736
  113   2HG   GLN  16          2HG       GLN  16  -0.519   5.109  12.810
  114   1HE2  GLN  16          1HE2      GLN  16  -3.950   5.506  13.112
  115   2HE2  GLN  16          2HE2      GLN  16  -3.969   7.046  13.951
  116    H    CYS  17           H        CYS  17  -3.279   4.366  11.462
  117    HA   CYS  17           HA       CYS  17  -3.788   1.523  10.865
  118   1HB   CYS  17          1HB       CYS  17  -4.579   3.297  13.225
  119   2HB   CYS  17          2HB       CYS  17  -5.192   1.664  13.073
  120    H    GLN  18           H        GLN  18  -5.052   1.302   9.226
  121    HA   GLN  18           HA       GLN  18  -6.992   2.839   8.234
  122   1HB   GLN  18          2HB       GLN  18  -6.296   0.934   7.066
  123   2HB   GLN  18          1HB       GLN  18  -6.745  -0.170   8.361
  124   1HG   GLN  18          1HG       GLN  18  -8.566  -0.554   6.988
  125   2HG   GLN  18          2HG       GLN  18  -9.215   0.894   7.740
  126   1HE2  GLN  18          1HE2      GLN  18  -8.078   3.180   6.287
  127   2HE2  GLN  18          2HE2      GLN  18  -6.829   2.441   5.305
  128    HA   PRO  19           HA       PRO  19  -7.346  -0.767  10.158
  129   1HB   PRO  19          1HB       PRO  19  -9.619  -1.485  11.863
  130   2HB   PRO  19          2HB       PRO  19  -7.903  -1.735  12.150
  131   1HG   PRO  19          1HG       PRO  19  -9.592   0.240  13.387
  132   2HG   PRO  19          2HG       PRO  19  -7.865   0.010  13.629
  133   1HD   PRO  19          1HD       PRO  19  -9.147   2.177  12.208
  134   2HD   PRO  19          2HD       PRO  19  -7.408   1.896  12.379
  135    H    LEU  20           H        LEU  20  -8.414  -2.678   9.333
  136    HA   LEU  20           HA       LEU  20 -11.012  -2.060   8.176
  137   1HB   LEU  20          1HB       LEU  20  -9.378  -2.235   6.244
  138   2HB   LEU  20          2HB       LEU  20  -8.983  -3.858   6.749
  139    HG   LEU  20           HG       LEU  20 -11.836  -3.542   6.825
  140   1HD1  LEU  20          1HD1      LEU  20 -12.132  -3.379   4.255
  141   2HD1  LEU  20          2HD1      LEU  20 -11.727  -1.873   5.084
  142   3HD1  LEU  20          3HD1      LEU  20 -10.481  -2.756   4.201
  143   1HD2  LEU  20          1HD2      LEU  20 -11.385  -5.405   4.857
  144   2HD2  LEU  20          2HD2      LEU  20  -9.839  -5.436   5.696
  145   3HD2  LEU  20          3HD2      LEU  20 -11.333  -5.754   6.580
  146    H    ASN  21           H        ASN  21 -11.401  -2.847   9.944
  147    HA   ASN  21           HA       ASN  21 -12.182  -5.115  11.223
  148   1HB   ASN  21          1HB       ASN  21 -13.963  -3.407   9.502
  149   2HB   ASN  21          2HB       ASN  21 -14.574  -4.987  10.063
  150   1HD2  ASN  21           HD2      ASN  21 -16.176  -3.679  11.356
  151    H    GLN  22           H        GLN  22 -11.517  -7.662   9.173
  152    HA   GLN  22           HA       GLN  22 -12.915  -6.909  11.649
  153   1HB   GLN  22          1HB       GLN  22 -13.975  -8.675   9.555
  154   2HB   GLN  22          2HB       GLN  22 -13.766  -9.576  11.036
  155   1HG   GLN  22          1HG       GLN  22 -15.074  -7.717  12.244
  156   2HG   GLN  22          2HG       GLN  22 -15.435  -7.045  10.656
  157   1HE2  GLN  22          2HE2      GLN  22 -17.663  -7.891   9.919
  158   2HE2  GLN  22          1HE2      GLN  22 -18.236  -8.413  11.492
  159    H    THR  23           H        THR  23 -10.718  -8.145  13.400
  160    HA   THR  23           HA       THR  23 -10.575  -6.247  11.302
  161    HB   THR  23           HB       THR  23  -8.572  -5.365  12.539
  162    HG1  THR  23           HG1      THR  23  -8.164  -6.593  14.504
  163   1HG2  THR  23          1HG2      THR  23 -11.216  -5.846  13.733
  164   2HG2  THR  23          2HG2      THR  23  -9.960  -5.723  14.966
  165   3HG2  THR  23          3HG2      THR  23 -10.201  -4.407  13.817
  166    H    SER  24           H        SER  24  -9.809  -6.514   9.322
  167    HA   SER  24           HA       SER  24  -7.477  -7.515   8.436
  168   1HB   SER  24          2HB       SER  24  -8.606  -5.802   7.203
  169   2HB   SER  24          1HB       SER  24  -8.222  -4.592   8.424
  170    HG   SER  24           HG       SER  24  -6.693  -4.360   6.982
  171    H    TYR  25           H        TYR  25  -7.796  -5.865  11.151
  172    HA   TYR  25           HA       TYR  25  -7.410  -3.606  10.362
  173   1HB   TYR  25          2HB       TYR  25  -6.087  -2.537  12.285
  174   2HB   TYR  25          1HB       TYR  25  -7.438  -3.562  12.773
  175    HD1  TYR  25           HD1      TYR  25  -7.052  -5.419  14.267
  176    HD2  TYR  25           HD2      TYR  25  -3.708  -3.583  12.163
  177    HE1  TYR  25           HE1      TYR  25  -5.440  -6.760  15.665
  178    HE2  TYR  25           HE2      TYR  25  -2.090  -4.904  13.573
  179    HH   TYR  25           HH       TYR  25  -1.907  -6.641  15.075
  180    H    LEU  26           H        LEU  26  -6.393  -2.337   9.346
  181    HA   LEU  26           HA       LEU  26  -3.947  -3.438   8.194
  182   1HB   LEU  26          2HB       LEU  26  -5.307  -3.816   6.456
  183   2HB   LEU  26          1HB       LEU  26  -6.644  -3.112   7.395
  184    HG   LEU  26           HG       LEU  26  -5.887  -0.914   6.626
  185   1HD1  LEU  26          1HD2      LEU  26  -4.869  -1.767   4.037
  186   2HD1  LEU  26          2HD2      LEU  26  -4.108  -0.678   5.194
  187   3HD1  LEU  26          3HD2      LEU  26  -3.832  -2.420   5.303
  188   1HD2  LEU  26          1HD1      LEU  26  -7.708  -1.079   5.268
  189   2HD2  LEU  26          2HD1      LEU  26  -6.833  -2.095   4.123
  190   3HD2  LEU  26          3HD1      LEU  26  -7.630  -2.825   5.514
  191    H    CYS  27           H        CYS  27  -2.979  -1.744   6.468
  192    HA   CYS  27           HA       CYS  27  -2.446   0.483   8.375
  193   1HB   CYS  27          1HB       CYS  27  -0.386  -0.937   6.683
  194   2HB   CYS  27          2HB       CYS  27  -0.118   0.496   7.682
  195    H    VAL  28           H        VAL  28  -2.049   2.639   7.427
  196    HA   VAL  28           HA       VAL  28  -4.557   2.472   6.192
  197    HB   VAL  28           HB       VAL  28  -2.705   4.785   6.767
  198   1HG1  VAL  28          1HG2      VAL  28  -5.507   4.904   5.628
  199   2HG1  VAL  28          2HG2      VAL  28  -4.912   6.233   6.623
  200   3HG1  VAL  28          3HG2      VAL  28  -4.069   5.801   5.129
  201   1HG2  VAL  28          1HG1      VAL  28  -5.240   4.731   8.295
  202   2HG2  VAL  28          2HG1      VAL  28  -4.246   3.312   8.569
  203   3HG2  VAL  28          3HG1      VAL  28  -3.599   4.947   8.864
  204    H    CYS  29           H        CYS  29  -1.713   2.638   4.770
  205    HA   CYS  29           HA       CYS  29  -1.308   5.109   3.909
  206   1HB   CYS  29          1HB       CYS  29  -0.317   2.493   2.967
  207   2HB   CYS  29          2HB       CYS  29  -0.263   3.636   1.672
  208    H    ALA  30           H        ALA  30  -0.697   5.370   1.857
  209    HA   ALA  30           HA       ALA  30  -2.670   7.266   1.868
  210   1HB   ALA  30          1HB       ALA  30  -0.264   7.811   1.437
  211   2HB   ALA  30          2HB       ALA  30  -0.454   7.304  -0.241
  212   3HB   ALA  30          3HB       ALA  30  -1.330   8.713   0.359
  213    H    GLU  31           H        GLU  31  -4.783   6.113   0.885
  214    HA   GLU  31           HA       GLU  31  -4.001   3.949  -0.222
  215   1HB   GLU  31          1HB       GLU  31  -6.211   3.524  -0.054
  216   2HB   GLU  31          2HB       GLU  31  -6.362   5.136   0.530
  217   1HG   GLU  31          1HG       GLU  31  -6.673   4.411  -2.411
  218   2HG   GLU  31          2HG       GLU  31  -8.006   4.686  -1.281
  219    H    GLY  32           H        GLY  32  -4.770   2.953  -2.444
  220   1HA   GLY  32          1HA       GLY  32  -3.533   2.661  -4.379
  221   2HA   GLY  32          2HA       GLY  32  -3.195   4.417  -4.410
  222    H    PHE  33           H        PHE  33  -2.600   2.708  -1.489
  223    HA   PHE  33           HA       PHE  33   0.143   1.969  -2.086
  224   1HB   PHE  33          2HB       PHE  33  -0.643   4.294  -0.266
  225   2HB   PHE  33          1HB       PHE  33   0.854   3.398   0.046
  226    HD1  PHE  33           HD1      PHE  33  -0.934   5.499  -2.503
  227    HD2  PHE  33           HD2      PHE  33   2.846   3.750  -1.218
  228    HE1  PHE  33           HE1      PHE  33   0.304   7.008  -4.097
  229    HE2  PHE  33           HE2      PHE  33   4.089   5.276  -2.788
  230    HZ   PHE  33           HZ       PHE  33   2.816   6.889  -4.244
  231    H    ALA  34           H        ALA  34  -0.242  -0.178  -1.361
  232    HA   ALA  34           HA       ALA  34  -2.796  -0.062   0.019
  233   1HB   ALA  34          1HB       ALA  34  -2.723  -2.659  -0.627
  234   2HB   ALA  34          2HB       ALA  34  -2.864  -1.464  -1.915
  235   3HB   ALA  34          3HB       ALA  34  -1.296  -2.175  -1.549
  236    HA   PRO  35           HA       PRO  35   0.468  -3.063   1.785
  237   1HB   PRO  35          1HB       PRO  35  -0.733  -5.588   1.120
  238   2HB   PRO  35          2HB       PRO  35  -0.268  -5.033   2.722
  239   1HG   PRO  35          1HG       PRO  35  -2.955  -5.327   1.650
  240   2HG   PRO  35          2HG       PRO  35  -2.493  -4.842   3.276
  241   1HD   PRO  35          2HD       PRO  35  -3.516  -3.148   1.136
  242   2HD   PRO  35          1HD       PRO  35  -3.103  -2.668   2.788
  243    H    ILE  36           H        ILE  36   1.527  -2.329  -0.327
  244    HA   ILE  36           HA       ILE  36   2.039  -4.046  -2.233
  245    HB   ILE  36           HB       ILE  36   3.724  -2.713  -1.145
  246   1HG1  ILE  36          1HG1      ILE  36   4.316  -5.227  -2.145
  247   2HG1  ILE  36          2HG1      ILE  36   5.347  -3.843  -1.994
  248   1HG2  ILE  36          1HG2      ILE  36   4.762  -3.631   1.068
  249   2HG2  ILE  36          2HG2      ILE  36   3.284  -2.678   1.103
  250   3HG2  ILE  36          3HG2      ILE  36   3.195  -4.430   1.249
  251   1HD1  ILE  36          1HD1      ILE  36   5.042  -5.512   0.484
  252   2HD1  ILE  36          2HD1      ILE  36   5.931  -6.206  -0.865
  253   3HD1  ILE  36          3HD1      ILE  36   6.450  -4.668  -0.156
  254    HA   PRO  37           HA       PRO  37   2.362  -8.547  -0.891
  255   1HB   PRO  37          2HB       PRO  37   5.130  -7.807  -1.737
  256   2HB   PRO  37          1HB       PRO  37   4.191  -9.225  -2.161
  257   1HG   PRO  37          1HG       PRO  37   4.544  -6.917  -3.796
  258   2HG   PRO  37          2HG       PRO  37   3.381  -8.205  -4.086
  259   1HD   PRO  37          1HD       PRO  37   2.770  -5.496  -3.353
  260   2HD   PRO  37          2HD       PRO  37   1.625  -6.835  -3.457
  261    H    HIS  38           H        HIS  38   5.583  -8.361   0.019
  262    HA   HIS  38           HA       HIS  38   4.094 -10.098   1.423
  263   1HB   HIS  38          1HB       HIS  38   5.986 -10.064   3.240
  264   2HB   HIS  38          2HB       HIS  38   6.300 -10.700   1.613
  265    HD1  HIS  38           HD1      HIS  38   8.977 -10.088   1.887
  266    HD2  HIS  38           HD2      HIS  38   6.198  -6.904   2.037
  267    HE1  HIS  38           HE1      HIS  38  10.345  -7.925   1.655
  268    H    GLU  39           H        GLU  39   5.676  -8.159   3.429
  269    HA   GLU  39           HA       GLU  39   4.272  -9.002   5.528
  270   1HB   GLU  39          2HB       GLU  39   5.775  -6.392   5.315
  271   2HB   GLU  39          1HB       GLU  39   4.953  -6.760   6.841
  272   1HG   GLU  39          1HG       GLU  39   7.027  -8.516   5.475
  273   2HG   GLU  39          2HG       GLU  39   7.307  -7.531   6.901
  274    HA   PRO  40           HA       PRO  40   0.417  -6.623   5.960
  275   1HB   PRO  40          1HB       PRO  40   0.234  -7.690   8.647
  276   2HB   PRO  40          2HB       PRO  40  -0.759  -8.116   7.260
  277   1HG   PRO  40          1HG       PRO  40   1.314  -9.713   8.498
  278   2HG   PRO  40          2HG       PRO  40   0.316 -10.143   7.114
  279   1HD   PRO  40          1HD       PRO  40   3.126  -9.375   7.114
  280   2HD   PRO  40          2HD       PRO  40   2.139  -9.850   5.722
  281    H    HIS  41           H        HIS  41   2.526  -4.912   6.111
  282    HA   HIS  41           HA       HIS  41   0.516  -3.525   7.669
  283   1HB   HIS  41          2HB       HIS  41   2.311  -2.095   8.786
  284   2HB   HIS  41          1HB       HIS  41   2.023  -3.670   9.548
  285    HD1  HIS  41           HD1      HIS  41   3.909  -5.566   7.808
  286    HD2  HIS  41           HD2      HIS  41   4.834  -1.641   9.088
  287    HE1  HIS  41           HE1      HIS  41   6.462  -5.317   7.602
  288    H    ARG  42           H        ARG  42   1.921  -3.662   4.985
  289    HA   ARG  42           HA       ARG  42   3.241  -1.018   5.025
  290   1HB   ARG  42          1HB       ARG  42   3.505  -3.334   3.065
  291   2HB   ARG  42          2HB       ARG  42   4.110  -1.756   2.662
  292   1HG   ARG  42          2HG       ARG  42   5.937  -1.991   3.897
  293   2HG   ARG  42          1HG       ARG  42   4.960  -2.304   5.337
  294   1HD   ARG  42          1HD       ARG  42   4.832  -4.747   4.705
  295   2HD   ARG  42          2HD       ARG  42   5.839  -4.427   3.281
  296    HE   ARG  42           HE       ARG  42   6.724  -4.385   6.087
  297   1HH1  ARG  42          2HH1      ARG  42   8.247  -2.773   3.145
  298   2HH1  ARG  42          1HH1      ARG  42   8.067  -4.352   2.458
  299   1HH2  ARG  42          1HH2      ARG  42   8.992  -5.716   5.479
  300   2HH2  ARG  42          2HH2      ARG  42   9.890  -4.270   5.161
  301    H    CYS  43           H        CYS  43   2.912   0.646   3.483
  302    HA   CYS  43           HA       CYS  43   1.315  -0.092   1.163
  303   1HB   CYS  43          2HB       CYS  43   2.448   2.332   0.573
  304   2HB   CYS  43          1HB       CYS  43   0.976   2.055   1.497
  305    H    GLN  44           H        GLN  44   2.188  -0.153  -0.968
  306    HA   GLN  44           HA       GLN  44   4.648   1.123  -1.366
  307   1HB   GLN  44          2HB       GLN  44   5.152  -1.460  -0.544
  308   2HB   GLN  44          1HB       GLN  44   5.030  -1.713  -2.270
  309   1HG   GLN  44          1HG       GLN  44   6.897  -0.311  -2.745
  310   2HG   GLN  44          2HG       GLN  44   6.785   0.529  -1.202
  311   1HE2  GLN  44          1HE2      GLN  44   6.891  -2.943  -2.199
  312   2HE2  GLN  44          2HE2      GLN  44   7.612  -3.419  -0.672
  313    H    MET  45           H        MET  45   4.319   2.100  -3.293
  314    HA   MET  45           HA       MET  45   1.675   2.241  -3.368
  315   1HB   MET  45          1HB       MET  45   1.910   3.851  -5.078
  316   2HB   MET  45          2HB       MET  45   3.572   3.683  -4.560
  317   1HG   MET  45          1HG       MET  45   3.702   3.547  -6.918
  318   2HG   MET  45          2HG       MET  45   3.844   1.883  -6.377
  319   1HE   MET  45          1HE       MET  45   3.621   1.023  -8.198
  320   2HE   MET  45          2HE       MET  45   2.130   0.073  -8.274
  321   3HE   MET  45          3HE       MET  45   2.450   1.324  -9.490
  322    H    PHE  46           H        PHE  46  -0.152   1.233  -4.324
  323    HA   PHE  46           HA       PHE  46   0.861  -1.416  -4.243
  324   1HB   PHE  46          1HB       PHE  46  -1.127  -0.744  -2.924
  325   2HB   PHE  46          2HB       PHE  46  -2.008  -0.398  -4.395
  326    HD1  PHE  46           HD1      PHE  46   0.142  -3.340  -3.333
  327    HD2  PHE  46           HD2      PHE  46  -3.765  -1.951  -4.682
  328    HE1  PHE  46           HE1      PHE  46  -0.682  -5.717  -3.386
  329    HE2  PHE  46           HE2      PHE  46  -4.594  -4.329  -4.733
  330    HZ   PHE  46           HZ       PHE  46  -3.052  -6.212  -4.085
  331    H    CYS  47           H        CYS  47   1.005  -0.035  -7.041
  332    HA   CYS  47           HA       CYS  47  -1.642   0.351  -7.549
  333   1HB   CYS  47          2HB       CYS  47  -1.225   0.840  -9.935
  334   2HB   CYS  47          1HB       CYS  47   0.032   1.514  -8.933
  335    H    ASN  48           H        ASN  48  -2.919  -0.777  -9.970
  336    HA   ASN  48           HA       ASN  48  -3.568  -2.282  -7.502
  337   1HB   ASN  48          2HB       ASN  48  -4.377   0.141  -7.578
  338   2HB   ASN  48          1HB       ASN  48  -5.342  -0.260  -8.994
  339   1HD2  ASN  48           HD2      ASN  48  -7.317   0.168  -8.059
  340    H    GLN  49           H        GLN  49  -5.349  -1.371 -10.484
  341    HA   GLN  49           HA       GLN  49  -4.742  -3.856 -11.696
  342   1HB   GLN  49          2HB       GLN  49  -7.058  -3.840  -9.912
  343   2HB   GLN  49          1HB       GLN  49  -7.603  -4.129 -11.546
  344   1HG   GLN  49          2HG       GLN  49  -6.017  -6.040 -11.770
  345   2HG   GLN  49          1HG       GLN  49  -5.396  -5.730 -10.152
  346   1HE2  GLN  49          1HE2      GLN  49  -7.148  -5.848  -8.282
  347   2HE2  GLN  49          2HE2      GLN  49  -8.809  -5.935  -8.839
  348    H    THR  50           H        THR  50  -4.541  -1.896 -13.784
  349    HA   THR  50           HA       THR  50  -5.816  -4.487 -14.133
  350    HB   THR  50           HB       THR  50  -7.501  -3.416 -15.367
  351    HG1  THR  50           HG1      THR  50  -5.849  -4.683 -16.676
  352   1HG2  THR  50          1HG2      THR  50  -6.970  -1.099 -15.252
  353   2HG2  THR  50          2HG2      THR  50  -6.836  -1.431 -16.979
  354   3HG2  THR  50          3HG2      THR  50  -5.382  -1.325 -15.987
  355    H    ALA  51           H        ALA  51  -3.250  -5.265 -14.102
  356    HA   ALA  51           HA       ALA  51  -2.984  -2.814 -13.134
  357   1HB   ALA  51          1HB       ALA  51  -1.008  -3.551 -12.177
  358   2HB   ALA  51          2HB       ALA  51  -0.275  -3.924 -13.736
  359   3HB   ALA  51          3HB       ALA  51  -1.389  -5.071 -12.989
  360    H    CYS  52           H        CYS  52  -0.164  -2.103 -13.812
  361    HA   CYS  52           HA       CYS  52  -1.989   0.018 -14.620
  362   1HB   CYS  52          2HB       CYS  52  -0.485   1.031 -12.542
  363   2HB   CYS  52          1HB       CYS  52  -1.995   0.196 -12.370
  364    HA   PRO  53           HA       PRO  53   1.290  -1.071 -16.773
  365   1HB   PRO  53          2HB       PRO  53   0.932   0.024 -19.352
  366   2HB   PRO  53          1HB       PRO  53   0.026  -1.339 -18.702
  367   1HG   PRO  53          2HG       PRO  53  -0.842   1.464 -19.099
  368   2HG   PRO  53          1HG       PRO  53  -1.841   0.021 -18.863
  369   1HD   PRO  53          2HD       PRO  53  -1.292   2.060 -16.927
  370   2HD   PRO  53          1HD       PRO  53  -2.097   0.513 -16.620
  371    H    ALA  54           H        ALA  54   2.330   1.259 -15.503
  372    HA   ALA  54           HA       ALA  54   2.725   3.552 -15.866
  373   1HB   ALA  54          1HB       ALA  54   5.021   3.552 -16.105
  374   2HB   ALA  54          2HB       ALA  54   4.864   3.193 -17.821
  375   3HB   ALA  54          3HB       ALA  54   4.939   1.871 -16.652
  376    H    ASP  55           H        ASP  55   2.750   5.523 -17.703
  377    HA   ASP  55           HA       ASP  55   4.330   3.946 -19.608
  378   1HB   ASP  55          1HB       ASP  55   2.294   5.007 -20.664
  379   2HB   ASP  55          2HB       ASP  55   2.923   6.583 -20.266
  380    H    CYS  56           H        CYS  56   4.306   7.115 -19.770
  381    HA   CYS  56           HA       CYS  56   4.772   8.928 -18.559
  382   1HB   CYS  56          2HB       CYS  56   3.282   8.318 -17.065
  383   2HB   CYS  56          1HB       CYS  56   3.817   6.642 -17.037
  384    H    ASP  57           H        ASP  57   5.832   9.716 -16.317
  385    HA   ASP  57           HA       ASP  57   7.663  11.163 -16.637
  386   1HB   ASP  57          1HB       ASP  57   7.945  10.330 -14.455
  387   2HB   ASP  57          2HB       ASP  57   8.295   8.698 -14.997
  388    HA   PRO  58           HA       PRO  58   9.842  12.231 -18.294
  389   1HB   PRO  58          2HB       PRO  58   8.588  13.067 -20.717
  390   2HB   PRO  58          1HB       PRO  58  10.263  12.561 -20.535
  391   1HG   PRO  58          2HG       PRO  58   8.087  11.121 -21.841
  392   2HG   PRO  58          1HG       PRO  58   9.788  10.678 -21.769
  393   1HD   PRO  58          2HD       PRO  58   7.572   9.535 -20.244
  394   2HD   PRO  58          1HD       PRO  58   9.266   9.022 -20.243
  395    H    ASN  59           H        ASN  59   6.518  11.113 -18.415
  396    HA   ASN  59           HA       ASN  59   5.291  13.304 -19.581
  397   1HB   ASN  59          2HB       ASN  59   4.748  10.793 -17.948
  398   2HB   ASN  59          1HB       ASN  59   3.410  11.718 -18.618
  399   1HD2  ASN  59          1HD2      ASN  59   3.505   9.006 -19.995
  400   2HD2  ASN  59          2HD2      ASN  59   2.853  10.229 -21.070
  401    H    THR  60           H        THR  60   5.878  12.306 -16.683
  402    HA   THR  60           HA       THR  60   4.406  12.256 -14.489
  403    HB   THR  60           HB       THR  60   5.568  14.236 -13.547
  404    HG1  THR  60           HG1      THR  60   5.363  15.182 -16.159
  405   1HG2  THR  60          1HG2      THR  60   6.946  12.430 -15.070
  406   2HG2  THR  60          2HG2      THR  60   7.786  13.753 -14.242
  407   3HG2  THR  60          3HG2      THR  60   7.337  13.876 -15.962
  408    H    GLN  61           H        GLN  61   2.771  12.804 -16.904
  409    HA   GLN  61           HA       GLN  61   0.625  12.642 -14.931
  410   1HB   GLN  61          1HB       GLN  61   0.986  11.643 -17.512
  411   2HB   GLN  61          2HB       GLN  61   1.376  10.231 -16.570
  412   1HG   GLN  61          2HG       GLN  61  -0.808   9.968 -15.764
  413   2HG   GLN  61          1HG       GLN  61  -1.160  11.693 -15.823
  414   1HE2  GLN  61          2HE2      GLN  61  -1.336   8.688 -17.380
  415   2HE2  GLN  61          1HE2      GLN  61  -2.326   9.232 -18.721
  416    H    ALA  62           H        ALA  62   0.450  11.188 -13.258
  417    HA   ALA  62           HA       ALA  62   1.333  10.123 -11.415
  418   1HB   ALA  62          1HB       ALA  62   2.353   8.617 -13.865
  419   2HB   ALA  62          2HB       ALA  62   0.907   8.254 -12.921
  420   3HB   ALA  62          3HB       ALA  62   2.512   7.955 -12.240
  421    H    SER  63           H        SER  63   3.885   9.086 -12.978
  422    HA   SER  63           HA       SER  63   5.553  10.624 -13.991
  423   1HB   SER  63          2HB       SER  63   5.907  11.740 -11.155
  424   2HB   SER  63          1HB       SER  63   6.598  12.384 -12.645
  425    HG   SER  63           HG       SER  63   4.166  12.383 -13.177
  426    H    CYS  64           H        CYS  64   6.587   8.494 -14.226
  427    HA   CYS  64           HA       CYS  64   5.592   7.167 -12.037
  428   1HB   CYS  64          2HB       CYS  64   7.538   5.490 -13.479
  429   2HB   CYS  64          1HB       CYS  64   5.806   5.317 -13.408
  430    H    GLU  65           H        GLU  65   6.704   5.595 -10.435
  431    HA   GLU  65           HA       GLU  65   8.239   7.866  -9.383
  432   1HB   GLU  65          2HB       GLU  65   5.688   7.697  -8.880
  433   2HB   GLU  65          1HB       GLU  65   6.086   6.315  -7.897
  434   1HG   GLU  65          2HG       GLU  65   5.867   8.645  -6.715
  435   2HG   GLU  65          1HG       GLU  65   7.208   7.604  -6.258
  436    H    CYS  66           H        CYS  66   8.154   4.655  -9.486
  437    HA   CYS  66           HA       CYS  66   7.447   4.705  -6.843
  438   1HB   CYS  66          1HB       CYS  66   7.016   2.143  -8.245
  439   2HB   CYS  66          2HB       CYS  66   5.857   3.365  -7.698
  440    HA   PRO  67           HA       PRO  67  11.321   1.457  -6.862
  441   1HB   PRO  67          2HB       PRO  67  12.397   3.158  -9.037
  442   2HB   PRO  67          1HB       PRO  67  12.594   1.414  -8.761
  443   1HG   PRO  67          2HG       PRO  67  10.811   2.702 -10.627
  444   2HG   PRO  67          1HG       PRO  67  10.905   0.977 -10.280
  445   1HD   PRO  67          2HD       PRO  67   8.725   2.710  -9.595
  446   2HD   PRO  67          1HD       PRO  67   8.954   1.059  -9.027
  447    H    GLU  68           H        GLU  68  13.570   2.806  -6.265
  448    HA   GLU  68           HA       GLU  68  13.339   2.730  -3.943
  449   1HB   GLU  68          2HB       GLU  68  12.102   5.478  -4.070
  450   2HB   GLU  68          1HB       GLU  68  13.481   4.948  -3.143
  451   1HG   GLU  68          2HG       GLU  68  13.553   5.355  -6.180
  452   2HG   GLU  68          1HG       GLU  68  14.065   6.564  -5.013
  453    H    GLY  69           H        GLY  69  11.885   1.291  -3.279
  454   1HA   GLY  69          1HA       GLY  69   9.621   1.143  -2.218
  455   2HA   GLY  69          2HA       GLY  69   9.050   2.144  -3.589
  456    H    TYR  70           H        TYR  70   9.991   1.037  -5.859
  457    HA   TYR  70           HA       TYR  70  10.925  -0.809  -6.910
  458   1HB   TYR  70          2HB       TYR  70  12.518   0.246  -5.038
  459   2HB   TYR  70          1HB       TYR  70  12.229  -1.256  -4.181
  460    HD1  TYR  70           HD1      TYR  70  14.253  -2.466  -4.280
  461    HD2  TYR  70           HD2      TYR  70  12.643  -0.651  -7.906
  462    HE1  TYR  70           HE1      TYR  70  16.058  -3.575  -5.637
  463    HE2  TYR  70           HE2      TYR  70  14.436  -1.773  -9.265
  464    HH   TYR  70           HH       TYR  70  16.547  -4.220  -7.933
  465    H    ILE  71           H        ILE  71   8.641  -2.732  -6.696
  466    HA   ILE  71           HA       ILE  71  11.407  -3.150  -7.493
  467    HB   ILE  71           HB       ILE  71  10.460  -4.948  -5.772
  468   1HG1  ILE  71          1HG1      ILE  71  11.959  -6.150  -8.078
  469   2HG1  ILE  71          2HG1      ILE  71  12.682  -4.798  -7.240
  470   1HG2  ILE  71          1HG2      ILE  71   8.512  -5.484  -7.358
  471   2HG2  ILE  71          2HG2      ILE  71   9.408  -6.866  -6.728
  472   3HG2  ILE  71          3HG2      ILE  71   9.692  -6.310  -8.378
  473   1HD1  ILE  71          1HD1      ILE  71  12.541  -7.570  -6.384
  474   2HD1  ILE  71          2HD1      ILE  71  11.711  -6.565  -5.196
  475   3HD1  ILE  71          3HD1      ILE  71  13.392  -6.231  -5.612
  476    H    LEU  72           H        LEU  72   8.093  -2.919  -8.261
  477    HA   LEU  72           HA       LEU  72   7.252  -2.457 -10.370
  478   1HB   LEU  72          2HB       LEU  72   9.197  -0.821  -9.624
  479   2HB   LEU  72          1HB       LEU  72  10.042  -1.448 -10.993
  480    HG   LEU  72           HG       LEU  72   7.812  -0.929 -12.292
  481   1HD1  LEU  72          1HD2      LEU  72   6.300   0.160 -11.104
  482   2HD1  LEU  72          2HD2      LEU  72   7.472   1.474 -10.793
  483   3HD1  LEU  72          3HD2      LEU  72   7.344   0.100  -9.681
  484   1HD2  LEU  72          1HD1      LEU  72   9.312   1.574 -11.707
  485   2HD2  LEU  72          2HD1      LEU  72   9.037   0.761 -13.250
  486   3HD2  LEU  72          3HD1      LEU  72  10.317   0.202 -12.175
  487    H    ASP  73           H        ASP  73   7.550  -3.190 -13.184
  488    HA   ASP  73           HA       ASP  73   9.625  -1.552 -13.050
  489   1HB   ASP  73          2HB       ASP  73  11.147  -2.840 -11.851
  490   2HB   ASP  73          1HB       ASP  73  10.568  -4.334 -12.539
  491    H    ASP  74           H        ASP  74  10.378  -0.879 -14.910
  492    HA   ASP  74           HA       ASP  74   9.981  -0.447 -17.129
  493   1HB   ASP  74          2HB       ASP  74  11.865  -2.452 -16.748
  494   2HB   ASP  74          1HB       ASP  74  10.731  -3.309 -17.784
  495    H    GLY  75           H        GLY  75   7.141  -1.154 -16.267
  496   1HA   GLY  75          2HA       GLY  75   7.612  -0.216 -19.035
  497   2HA   GLY  75          1HA       GLY  75   6.328   0.292 -17.940
  498    H    PHE  76           H        PHE  76   6.549   1.749 -16.794
  499    HA   PHE  76           HA       PHE  76   8.855   1.516 -15.155
  500   1HB   PHE  76          2HB       PHE  76   8.883   3.938 -16.543
  501   2HB   PHE  76          1HB       PHE  76   8.114   4.401 -15.035
  502    HD1  PHE  76           HD1      PHE  76   9.485   5.117 -13.276
  503    HD2  PHE  76           HD2      PHE  76  11.062   2.295 -16.202
  504    HE1  PHE  76           HE1      PHE  76  11.731   5.195 -12.139
  505    HE2  PHE  76           HE2      PHE  76  13.306   2.366 -15.061
  506    HZ   PHE  76           HZ       PHE  76  13.637   3.813 -13.027
  507    H    ILE  77           H        ILE  77   6.529   0.451 -14.962
  508    HA   ILE  77           HA       ILE  77   4.348   1.890 -14.720
  509    HB   ILE  77           HB       ILE  77   3.762  -0.252 -14.970
  510   1HG1  ILE  77          1HG1      ILE  77   2.357   0.460 -13.005
  511   2HG1  ILE  77          2HG1      ILE  77   2.550  -1.246 -13.226
  512   1HG2  ILE  77          1HG2      ILE  77   5.991  -0.929 -13.085
  513   2HG2  ILE  77          2HG2      ILE  77   5.773  -1.386 -14.773
  514   3HG2  ILE  77          3HG2      ILE  77   4.786  -2.157 -13.515
  515   1HD1  ILE  77          1HD1      ILE  77   4.645  -0.856 -11.536
  516   2HD1  ILE  77          2HD1      ILE  77   3.017  -1.216 -10.979
  517   3HD1  ILE  77          3HD1      ILE  77   3.588   0.447 -10.985
  518    H    CYS  78           H        CYS  78   2.767   2.032 -12.893
  519    HA   CYS  78           HA       CYS  78   3.710   2.620 -10.298
  520   1HB   CYS  78          2HB       CYS  78   4.444   4.630 -12.145
  521   2HB   CYS  78          1HB       CYS  78   3.049   5.299 -11.328
  522    H    THR  79           H        THR  79   1.583   3.819 -12.869
  523    HA   THR  79           HA       THR  79  -0.714   2.762 -11.537
  524    HB   THR  79           HB       THR  79  -0.273   4.948 -10.262
  525    HG1  THR  79           HG1      THR  79  -2.374   5.480 -10.268
  526   1HG2  THR  79          1HG2      THR  79  -0.362   7.033 -11.303
  527   2HG2  THR  79          2HG2      THR  79  -1.447   6.474 -12.576
  528   3HG2  THR  79          3HG2      THR  79   0.275   6.102 -12.660
  529    H    ASP  80           H        ASP  80  -1.262   1.771 -13.747
  530    HA   ASP  80           HA       ASP  80  -2.910   3.447 -15.204
  531   1HB   ASP  80          2HB       ASP  80  -3.476   1.145 -15.315
  532   2HB   ASP  80          1HB       ASP  80  -3.376   0.962 -13.555
  533    H    ILE  81           H        ILE  81  -2.565   5.588 -13.297
  534    HA   ILE  81           HA       ILE  81  -5.077   6.286 -12.843
  535    HB   ILE  81           HB       ILE  81  -3.190   7.643 -13.978
  536   1HG1  ILE  81          2HG1      ILE  81  -4.845   9.283 -14.977
  537   2HG1  ILE  81          1HG1      ILE  81  -6.100   8.097 -14.718
  538   1HG2  ILE  81          1HG2      ILE  81  -4.565   7.444 -16.594
  539   2HG2  ILE  81          2HG2      ILE  81  -3.678   5.990 -16.139
  540   3HG2  ILE  81          3HG2      ILE  81  -2.842   7.541 -16.232
  541   1HD1  ILE  81          1HD1      ILE  81  -6.339   9.061 -12.648
  542   2HD1  ILE  81          2HD1      ILE  81  -4.776   9.870 -12.750
  543   3HD1  ILE  81          3HD1      ILE  81  -4.868   8.195 -12.204
  544    H    ASP  82           H        ASP  82  -7.107   6.426 -13.901
  545    HA   ASP  82           HA       ASP  82  -7.160   5.410 -16.628
  546   1HB   ASP  82          1HB       ASP  82  -7.685   3.388 -15.155
  547   2HB   ASP  82          2HB       ASP  82  -9.084   4.255 -14.527
  548    H    GLU  83           H        GLU  83 -10.143   5.534 -14.751
  549    HA   GLU  83           HA       GLU  83 -10.407   8.381 -15.412
  550   1HB   GLU  83          1HB       GLU  83 -12.230   6.783 -13.555
  551   2HB   GLU  83          2HB       GLU  83 -12.629   8.238 -14.435
  552   1HG   GLU  83          1HG       GLU  83 -12.046   6.704 -16.575
  553   2HG   GLU  83          2HG       GLU  83 -12.432   5.402 -15.454
  554    H1   NAG 121           H1       ASN  21 -15.115  -1.952  13.375
  555    H2   NAG 121           H2       ASN  21 -14.714  -1.133  10.681
  556    H3   NAG 121           H3       ASN  21 -16.593   0.801  12.092
  557    H4   NAG 121           H4       ASN  21 -17.305  -0.958   9.716
  558    H5   NAG 121           H5       ASN  21 -18.929  -1.468  12.026
  559   1H6   NAG 121          1H6       ASN  21 -17.796  -3.856  11.600
  560   2H6   NAG 121          2H6       ASN  21 -17.265  -3.077  10.110
  561   1H8   NAG 121          1H8       ASN  21 -11.327  -0.715  11.079
  562   2H8   NAG 121          2H8       ASN  21 -12.830  -1.659  11.065
  563   3H8   NAG 121          3H8       ASN  21 -12.488  -0.516   9.752
  564    HN2  NAG 121           HN2      ASN  21 -14.231   0.147  13.283
  565    HO4  NAG 121           HO4      ASN  21 -18.867   0.294   9.639
  566    HO3  NAG 121           HO3      ASN  21 -16.527   1.120   9.553
  567    HO6  NAG 121           H6       ASN  21 -19.139  -3.665   9.521
  568    H1   NAG 148           H1       ASN  48  -7.976  -1.368  -5.654
  569    H2   NAG 148           H2       ASN  48  -6.873   1.322  -5.559
  570    H3   NAG 148           H3       ASN  48  -8.668   2.258  -3.992
  571    H4   NAG 148           H4       ASN  48 -11.025   1.473  -4.607
  572    H5   NAG 148           H5       ASN  48 -10.202  -1.275  -5.081
  573   1H6   NAG 148          1H6       ASN  48 -12.500  -0.098  -5.470
  574   2H6   NAG 148          2H6       ASN  48 -11.961  -1.233  -6.709
  575   1H8   NAG 148          1H8       ASN  48  -5.055   1.383  -4.719
  576   2H8   NAG 148          2H8       ASN  48  -4.804   1.144  -2.978
  577   3H8   NAG 148          3H8       ASN  48  -3.908   0.155  -4.148
  578    HN2  NAG 148           HN2      ASN  48  -7.768   0.166  -3.094
  579    HO4  NAG 148           HO4      ASN  48 -10.430  -0.602  -3.329
  580    HO3  NAG 148           HO3      ASN  48  -9.944   2.933  -5.773
  581    HO6  NAG 148           H6       ASN  48 -12.622   0.607  -7.654
  Start of MODEL    8
    1   1H    HIS   1          1H        HIS   1   6.905  -3.065  27.346
    2   2H    HIS   1          2H        HIS   1   7.402  -4.383  28.295
    3   3H    HIS   1          3H        HIS   1   8.436  -3.758  27.101
    4    HA   HIS   1           HA       HIS   1   7.099  -4.472  25.382
    5   1HB   HIS   1          1HB       HIS   1   7.432  -6.587  27.551
    6   2HB   HIS   1          2HB       HIS   1   6.843  -6.987  25.953
    7    HD2  HIS   1           HD2      HIS   1  10.023  -5.653  27.690
    8    HE1  HIS   1           HE1      HIS   1  11.220  -6.972  23.782
    9    HE2  HIS   1           HE2      HIS   1  12.088  -6.079  26.036
   10    H    MET   2           H        MET   2   4.742  -6.717  25.684
   11    HA   MET   2           HA       MET   2   3.964  -4.050  24.723
   12   1HB   MET   2          1HB       MET   2   4.890  -4.379  22.503
   13   2HB   MET   2          2HB       MET   2   6.176  -4.736  23.633
   14   1HG   MET   2          1HG       MET   2   5.160  -7.244  23.400
   15   2HG   MET   2          2HG       MET   2   4.651  -6.612  21.844
   16   1HE   MET   2          1HE       MET   2   6.555  -8.994  22.596
   17   2HE   MET   2          2HE       MET   2   7.474  -8.175  23.869
   18   3HE   MET   2          3HE       MET   2   8.295  -8.722  22.396
   19    H    GLU   3           H        GLU   3   1.651  -5.747  25.617
   20    HA   GLU   3           HA       GLU   3   1.492  -3.392  24.326
   21   1HB   GLU   3          2HB       GLU   3   1.166  -5.567  22.377
   22   2HB   GLU   3          1HB       GLU   3  -0.284  -4.568  22.424
   23   1HG   GLU   3          1HG       GLU   3   0.872  -3.252  20.939
   24   2HG   GLU   3          2HG       GLU   3   1.625  -2.598  22.389
   25    HA   PRO   4           HA       PRO   4  -2.889  -3.540  25.624
   26   1HB   PRO   4          1HB       PRO   4  -3.354  -1.183  24.039
   27   2HB   PRO   4          2HB       PRO   4  -3.249  -1.271  25.794
   28   1HG   PRO   4          1HG       PRO   4  -1.287  -0.192  23.921
   29   2HG   PRO   4          2HG       PRO   4  -1.247  -0.146  25.685
   30   1HD   PRO   4          2HD       PRO   4   0.353  -1.802  23.941
   31   2HD   PRO   4          1HD       PRO   4   0.342  -1.818  25.711
   32    H    VAL   5           H        VAL   5  -1.722  -5.038  23.578
   33    HA   VAL   5           HA       VAL   5  -2.547  -5.399  21.221
   34    HB   VAL   5           HB       VAL   5  -2.143  -7.327  22.007
   35   1HG1  VAL   5          1HG1      VAL   5  -3.456  -6.455  24.517
   36   2HG1  VAL   5          2HG1      VAL   5  -3.543  -8.194  24.250
   37   3HG1  VAL   5          3HG1      VAL   5  -1.975  -7.386  24.297
   38   1HG2  VAL   5          1HG2      VAL   5  -4.890  -7.407  21.220
   39   2HG2  VAL   5          2HG2      VAL   5  -3.708  -8.702  21.200
   40   3HG2  VAL   5          3HG2      VAL   5  -4.726  -8.465  22.611
   41    H    ASP   6           H        ASP   6  -3.734  -3.706  20.753
   42    HA   ASP   6           HA       ASP   6  -5.231  -3.560  18.948
   43   1HB   ASP   6          2HB       ASP   6  -4.386  -5.244  17.621
   44   2HB   ASP   6          1HB       ASP   6  -3.397  -5.510  19.012
   45    HA   PRO   7           HA       PRO   7  -7.984  -6.309  17.675
   46   1HB   PRO   7          1HB       PRO   7  -8.588  -4.325  15.681
   47   2HB   PRO   7          2HB       PRO   7  -9.736  -5.227  16.660
   48   1HG   PRO   7          1HG       PRO   7  -9.023  -2.418  16.896
   49   2HG   PRO   7          2HG       PRO   7 -10.227  -3.305  17.821
   50   1HD   PRO   7          1HD       PRO   7  -7.593  -2.432  18.710
   51   2HD   PRO   7          2HD       PRO   7  -8.827  -3.278  19.655
   52    H    CYS   8           H        CYS   8  -6.831  -3.361  16.034
   53    HA   CYS   8           HA       CYS   8  -5.121  -4.900  14.299
   54   1HB   CYS   8          2HB       CYS   8  -6.173  -2.883  13.449
   55   2HB   CYS   8          1HB       CYS   8  -5.442  -1.932  14.754
   56    H    PHE   9           H        PHE   9  -4.609  -2.664  16.984
   57    HA   PHE   9           HA       PHE   9  -2.049  -2.036  16.774
   58   1HB   PHE   9          1HB       PHE   9  -3.734  -1.781  18.801
   59   2HB   PHE   9          2HB       PHE   9  -2.911  -3.239  19.397
   60    HD1  PHE   9           HD1      PHE   9  -1.586  -0.224  17.518
   61    HD2  PHE   9           HD2      PHE   9  -1.494  -2.563  21.198
   62    HE1  PHE   9           HE1      PHE   9   0.273   1.229  18.394
   63    HE2  PHE   9           HE2      PHE   9   0.352  -1.095  22.081
   64    HZ   PHE   9           HZ       PHE   9   1.249   0.785  20.672
   65    H    ARG  10           H        ARG  10  -0.002  -2.825  17.800
   66    HA   ARG  10           HA       ARG  10   1.592  -4.391  17.542
   67   1HB   ARG  10          2HB       ARG  10  -0.542  -5.693  18.851
   68   2HB   ARG  10          1HB       ARG  10  -0.073  -6.832  17.586
   69   1HG   ARG  10          2HG       ARG  10   2.366  -5.918  18.705
   70   2HG   ARG  10          1HG       ARG  10   1.272  -6.008  20.069
   71   1HD   ARG  10          1HD       ARG  10   1.242  -8.395  18.223
   72   2HD   ARG  10          2HD       ARG  10   2.687  -8.191  19.233
   73    HE   ARG  10           HE       ARG  10   1.125  -8.163  21.183
   74   1HH1  ARG  10          2HH1      ARG  10  -0.745  -8.507  18.330
   75   2HH1  ARG  10          1HH1      ARG  10  -1.796  -9.674  19.063
   76   1HH2  ARG  10          2HH2      ARG  10   0.681 -10.725  21.347
   77   2HH2  ARG  10          1HH2      ARG  10  -0.860 -11.111  20.658
   78    H    ALA  11           H        ALA  11  -0.763  -4.005  15.528
   79    HA   ALA  11           HA       ALA  11  -1.251  -6.238  14.101
   80   1HB   ALA  11          1HB       ALA  11  -2.719  -4.762  13.155
   81   2HB   ALA  11          2HB       ALA  11  -1.651  -3.415  13.565
   82   3HB   ALA  11          3HB       ALA  11  -1.455  -4.283  12.038
   83    H    ASN  12           H        ASN  12   2.297  -5.516  13.672
   84    HA   ASN  12           HA       ASN  12   1.321  -3.051  13.189
   85   1HB   ASN  12          1HB       ASN  12   3.866  -4.068  13.284
   86   2HB   ASN  12          2HB       ASN  12   3.781  -3.718  11.561
   87   1HD2  ASN  12          1HD2      ASN  12   4.509  -1.675  11.018
   88   2HD2  ASN  12          2HD2      ASN  12   5.226  -0.824  12.373
   89    H    CYS  13           H        CYS  13  -0.640  -3.081  11.389
   90    HA   CYS  13           HA       CYS  13  -0.001  -1.859   9.240
   91   1HB   CYS  13          1HB       CYS  13  -0.221  -0.132  11.779
   92   2HB   CYS  13          2HB       CYS  13  -0.700   0.282  10.128
   93    H    GLU  14           H        GLU  14   1.945  -2.070   8.457
   94    HA   GLU  14           HA       GLU  14   4.224  -0.718   8.612
   95   1HB   GLU  14          2HB       GLU  14   3.260  -1.225   6.409
   96   2HB   GLU  14          1HB       GLU  14   2.016  -0.028   6.656
   97   1HG   GLU  14          1HG       GLU  14   3.935   0.723   5.141
   98   2HG   GLU  14          2HG       GLU  14   3.619   1.806   6.493
   99    H    TYR  15           H        TYR  15   1.874   1.610   7.433
  100    HA   TYR  15           HA       TYR  15   2.245   3.484   9.555
  101   1HB   TYR  15          2HB       TYR  15   1.080   3.582   7.138
  102   2HB   TYR  15          1HB       TYR  15  -0.390   3.346   8.054
  103    HD1  TYR  15           HD1      TYR  15   2.564   5.558   7.466
  104    HD2  TYR  15           HD2      TYR  15  -1.236   5.120   9.559
  105    HE1  TYR  15           HE1      TYR  15   2.582   8.015   8.007
  106    HE2  TYR  15           HE2      TYR  15  -1.220   7.579  10.102
  107    HH   TYR  15           HH       TYR  15   1.266   9.468  10.148
  108    H    GLN  16           H        GLN  16  -0.799   3.543   9.701
  109    HA   GLN  16           HA       GLN  16  -0.867   1.829  12.111
  110   1HB   GLN  16          2HB       GLN  16  -1.278   4.564  11.729
  111   2HB   GLN  16          1HB       GLN  16  -2.912   3.993  11.891
  112   1HG   GLN  16          1HG       GLN  16  -2.281   2.809  14.032
  113   2HG   GLN  16          2HG       GLN  16  -0.624   3.353  13.843
  114   1HE2  GLN  16          2HE2      GLN  16  -0.404   4.748  15.585
  115   2HE2  GLN  16          1HE2      GLN  16  -0.850   6.390  15.161
  116    H    CYS  17           H        CYS  17  -3.494   2.447  12.575
  117    HA   CYS  17           HA       CYS  17  -4.369  -0.034  11.199
  118   1HB   CYS  17          1HB       CYS  17  -5.052   0.895  14.030
  119   2HB   CYS  17          2HB       CYS  17  -5.617  -0.597  13.296
  120    H    GLN  18           H        GLN  18  -5.979   0.816   9.366
  121    HA   GLN  18           HA       GLN  18  -8.465   0.848  10.675
  122   1HB   GLN  18          2HB       GLN  18  -8.601  -0.343   8.136
  123   2HB   GLN  18          1HB       GLN  18  -8.878   1.377   8.479
  124   1HG   GLN  18          1HG       GLN  18  -6.113   0.301   7.874
  125   2HG   GLN  18          2HG       GLN  18  -7.224   0.670   6.571
  126   1HE2  GLN  18          1HE2      GLN  18  -6.512   2.888   9.650
  127   2HE2  GLN  18          2HE2      GLN  18  -7.842   3.593   8.750
  128    HA   PRO  19           HA       PRO  19  -9.426  -3.485  10.537
  129   1HB   PRO  19          1HB       PRO  19 -11.787  -2.484  11.898
  130   2HB   PRO  19          2HB       PRO  19 -10.676  -3.738  12.443
  131   1HG   PRO  19          1HG       PRO  19 -10.914  -1.084  13.501
  132   2HG   PRO  19          2HG       PRO  19  -9.729  -2.311  13.951
  133   1HD   PRO  19          1HD       PRO  19  -9.302   0.102  12.344
  134   2HD   PRO  19          2HD       PRO  19  -8.094  -1.046  12.945
  135    H    LEU  20           H        LEU  20  -9.341  -2.582   8.332
  136    HA   LEU  20           HA       LEU  20 -11.347  -2.464   6.615
  137   1HB   LEU  20          1HB       LEU  20  -9.539  -3.932   6.122
  138   2HB   LEU  20          2HB       LEU  20  -9.898  -4.953   7.499
  139    HG   LEU  20           HG       LEU  20 -11.930  -5.600   6.603
  140   1HD1  LEU  20          1HD2      LEU  20 -12.619  -3.471   5.463
  141   2HD1  LEU  20          2HD2      LEU  20 -11.485  -3.819   4.161
  142   3HD1  LEU  20          3HD2      LEU  20 -12.877  -4.867   4.422
  143   1HD2  LEU  20          1HD1      LEU  20  -9.527  -5.932   4.884
  144   2HD2  LEU  20          2HD1      LEU  20 -10.557  -7.166   5.654
  145   3HD2  LEU  20          3HD1      LEU  20 -11.045  -6.420   4.135
  146    H    ASN  21           H        ASN  21 -11.492  -4.399   9.441
  147    HA   ASN  21           HA       ASN  21 -13.174  -5.783  10.326
  148   1HB   ASN  21          1HB       ASN  21 -14.529  -3.255   9.309
  149   2HB   ASN  21          2HB       ASN  21 -15.513  -4.551  10.007
  150   1HD2  ASN  21           HD2      ASN  21 -16.020  -2.790  11.916
  151    H    GLN  22           H        GLN  22 -15.219  -7.220   9.817
  152    HA   GLN  22           HA       GLN  22 -14.646  -9.266   9.003
  153   1HB   GLN  22          1HB       GLN  22 -15.298  -8.115   6.772
  154   2HB   GLN  22          2HB       GLN  22 -13.593  -7.838   6.513
  155   1HG   GLN  22          1HG       GLN  22 -13.533 -10.529   7.070
  156   2HG   GLN  22          2HG       GLN  22 -15.134 -10.399   6.349
  157   1HE2  GLN  22          2HE2      GLN  22 -13.922 -11.785   4.565
  158   2HE2  GLN  22          1HE2      GLN  22 -12.323 -11.213   4.130
  159    H    THR  23           H        THR  23 -12.576  -7.951  10.731
  160    HA   THR  23           HA       THR  23 -11.024  -6.495   8.957
  161    HB   THR  23           HB       THR  23  -9.483  -6.039  10.759
  162    HG1  THR  23           HG1      THR  23 -10.166  -7.847  12.538
  163   1HG2  THR  23          1HG2      THR  23 -11.623  -5.115  11.371
  164   2HG2  THR  23          2HG2      THR  23 -12.263  -6.687  11.852
  165   3HG2  THR  23          3HG2      THR  23 -11.019  -5.903  12.829
  166    H    SER  24           H        SER  24 -10.139  -7.455   7.189
  167    HA   SER  24           HA       SER  24  -7.733  -8.869   7.506
  168   1HB   SER  24          2HB       SER  24  -8.654  -7.631   5.401
  169   2HB   SER  24          1HB       SER  24  -7.991  -6.169   6.134
  170    HG   SER  24           HG       SER  24  -6.229  -6.714   5.282
  171    H    TYR  25           H        TYR  25  -8.818  -6.314   9.047
  172    HA   TYR  25           HA       TYR  25  -8.057  -4.054   8.965
  173   1HB   TYR  25          2HB       TYR  25  -6.533  -3.607  11.011
  174   2HB   TYR  25          1HB       TYR  25  -7.965  -4.563  11.294
  175    HD1  TYR  25           HD1      TYR  25  -7.808  -6.850  12.123
  176    HD2  TYR  25           HD2      TYR  25  -4.255  -4.748  10.722
  177    HE1  TYR  25           HE1      TYR  25  -6.361  -8.716  12.999
  178    HE2  TYR  25           HE2      TYR  25  -2.805  -6.608  11.600
  179    HH   TYR  25           HH       TYR  25  -2.794  -8.692  12.538
  180    H    LEU  26           H        LEU  26  -6.934  -2.817   7.984
  181    HA   LEU  26           HA       LEU  26  -5.148  -4.318   6.287
  182   1HB   LEU  26          2HB       LEU  26  -6.516  -3.543   4.519
  183   2HB   LEU  26          1HB       LEU  26  -7.581  -3.675   5.938
  184    HG   LEU  26           HG       LEU  26  -6.445  -1.034   5.917
  185   1HD1  LEU  26          1HD1      LEU  26  -8.203  -0.720   3.829
  186   2HD1  LEU  26          2HD1      LEU  26  -6.433  -0.568   3.752
  187   3HD1  LEU  26          3HD1      LEU  26  -7.214  -2.107   3.329
  188   1HD2  LEU  26          1HD2      LEU  26  -9.255  -2.060   5.548
  189   2HD2  LEU  26          2HD2      LEU  26  -8.424  -2.004   7.102
  190   3HD2  LEU  26          3HD2      LEU  26  -8.777  -0.493   6.190
  191    H    CYS  27           H        CYS  27  -5.297  -1.595   7.837
  192    HA   CYS  27           HA       CYS  27  -3.956  -0.099   8.643
  193   1HB   CYS  27          1HB       CYS  27  -2.256  -2.131   7.261
  194   2HB   CYS  27          2HB       CYS  27  -1.392  -0.888   8.197
  195    H    VAL  28           H        VAL  28  -2.479   1.724   8.363
  196    HA   VAL  28           HA       VAL  28  -3.716   2.822   5.951
  197    HB   VAL  28           HB       VAL  28  -2.399   4.714   7.808
  198   1HG1  VAL  28          1HG2      VAL  28  -4.358   4.881   5.879
  199   2HG1  VAL  28          2HG2      VAL  28  -5.313   4.941   7.361
  200   3HG1  VAL  28          3HG2      VAL  28  -4.028   6.118   7.091
  201   1HG2  VAL  28          1HG1      VAL  28  -3.027   3.681   9.723
  202   2HG2  VAL  28          2HG1      VAL  28  -4.600   4.369   9.357
  203   3HG2  VAL  28          3HG1      VAL  28  -4.277   2.688   8.958
  204    H    CYS  29           H        CYS  29  -2.401   4.584   4.714
  205    HA   CYS  29           HA       CYS  29   0.377   4.573   5.566
  206   1HB   CYS  29          1HB       CYS  29  -1.089   4.790   2.959
  207   2HB   CYS  29          2HB       CYS  29   0.646   5.042   3.057
  208    H    ALA  30           H        ALA  30   1.150   6.534   3.944
  209    HA   ALA  30           HA       ALA  30   0.648   8.997   4.959
  210   1HB   ALA  30          1HB       ALA  30   1.599  10.024   2.924
  211   2HB   ALA  30          2HB       ALA  30   2.460   8.533   3.333
  212   3HB   ALA  30          3HB       ALA  30   1.278   8.543   2.015
  213    H    GLU  31           H        GLU  31  -2.295   8.366   4.685
  214    HA   GLU  31           HA       GLU  31  -2.039   6.649   2.733
  215   1HB   GLU  31          1HB       GLU  31  -4.097   6.198   3.535
  216   2HB   GLU  31          2HB       GLU  31  -4.229   7.793   4.194
  217   1HG   GLU  31          1HG       GLU  31  -6.095   7.765   2.846
  218   2HG   GLU  31          2HG       GLU  31  -4.963   8.511   1.737
  219    H    GLY  32           H        GLY  32  -3.688   6.783   0.349
  220   1HA   GLY  32          2HA       GLY  32  -1.974   7.828  -1.424
  221   2HA   GLY  32          1HA       GLY  32  -0.846   7.275  -0.147
  222    H    PHE  33           H        PHE  33  -2.591   4.936   0.584
  223    HA   PHE  33           HA       PHE  33  -0.768   3.199  -0.912
  224   1HB   PHE  33          2HB       PHE  33   0.046   5.426   0.843
  225   2HB   PHE  33          1HB       PHE  33   0.612   3.880   1.452
  226    HD1  PHE  33           HD1      PHE  33   0.260   5.232  -2.099
  227    HD2  PHE  33           HD2      PHE  33   2.899   3.505   0.928
  228    HE1  PHE  33           HE1      PHE  33   2.185   5.382  -3.686
  229    HE2  PHE  33           HE2      PHE  33   4.763   3.480  -0.734
  230    HZ   PHE  33           HZ       PHE  33   4.446   4.510  -3.003
  231    H    ALA  34           H        ALA  34  -1.511   1.172  -0.378
  232    HA   ALA  34           HA       ALA  34  -2.669   0.955   2.287
  233   1HB   ALA  34          1HB       ALA  34  -4.388   2.081   0.769
  234   2HB   ALA  34          2HB       ALA  34  -4.582   0.540  -0.041
  235   3HB   ALA  34          3HB       ALA  34  -4.968   0.697   1.681
  236    HA   PRO  35           HA       PRO  35  -2.326  -3.476   1.152
  237   1HB   PRO  35          1HB       PRO  35  -4.775  -4.207  -0.310
  238   2HB   PRO  35          2HB       PRO  35  -4.161  -4.837   1.215
  239   1HG   PRO  35          1HG       PRO  35  -6.361  -3.080   0.938
  240   2HG   PRO  35          2HG       PRO  35  -5.521  -3.435   2.443
  241   1HD   PRO  35          2HD       PRO  35  -5.439  -1.021   0.795
  242   2HD   PRO  35          1HD       PRO  35  -4.845  -1.207   2.460
  243    H    ILE  36           H        ILE  36  -0.712  -2.311  -0.532
  244    HA   ILE  36           HA       ILE  36  -0.488  -3.634  -2.816
  245    HB   ILE  36           HB       ILE  36   1.322  -3.040  -1.441
  246   1HG1  ILE  36          1HG1      ILE  36   1.204  -5.654  -2.731
  247   2HG1  ILE  36          2HG1      ILE  36   2.420  -4.412  -2.801
  248   1HG2  ILE  36          1HG2      ILE  36   2.003  -4.458   0.524
  249   2HG2  ILE  36          2HG2      ILE  36   0.530  -3.516   0.764
  250   3HG2  ILE  36          3HG2      ILE  36   0.426  -5.249   0.434
  251   1HD1  ILE  36          1HD1      ILE  36   2.156  -6.258  -0.385
  252   2HD1  ILE  36          2HD1      ILE  36   3.105  -6.675  -1.809
  253   3HD1  ILE  36          3HD1      ILE  36   3.526  -5.246  -0.848
  254    HA   PRO  37           HA       PRO  37  -2.165  -7.923  -2.710
  255   1HB   PRO  37          1HB       PRO  37   0.475  -8.383  -4.005
  256   2HB   PRO  37          2HB       PRO  37  -1.115  -8.872  -4.564
  257   1HG   PRO  37          1HG       PRO  37   0.394  -6.713  -5.593
  258   2HG   PRO  37          2HG       PRO  37  -1.338  -6.912  -5.836
  259   1HD   PRO  37          1HD       PRO  37   0.050  -4.947  -4.184
  260   2HD   PRO  37          2HD       PRO  37  -1.685  -5.018  -4.541
  261    H    HIS  38           H        HIS  38  -1.195  -9.971  -1.860
  262    HA   HIS  38           HA       HIS  38  -1.485 -10.104   0.516
  263   1HB   HIS  38          1HB       HIS  38   0.434 -11.217   1.338
  264   2HB   HIS  38          2HB       HIS  38   0.113 -11.743  -0.326
  265    HD1  HIS  38           HD1      HIS  38   2.999 -11.709   1.475
  266    HD2  HIS  38           HD2      HIS  38   1.784  -9.309  -1.780
  267    HE1  HIS  38           HE1      HIS  38   5.149 -10.799   0.403
  268    H    GLU  39           H        GLU  39   1.426  -9.458   1.576
  269    HA   GLU  39           HA       GLU  39   0.148  -9.332   3.734
  270   1HB   GLU  39          1HB       GLU  39   2.177  -7.559   4.552
  271   2HB   GLU  39          2HB       GLU  39   2.249  -9.327   4.512
  272   1HG   GLU  39          1HG       GLU  39   3.108  -9.045   2.057
  273   2HG   GLU  39          2HG       GLU  39   3.298  -7.350   2.444
  274    HA   PRO  40           HA       PRO  40  -2.084  -5.387   3.477
  275   1HB   PRO  40          1HB       PRO  40  -4.100  -6.556   5.168
  276   2HB   PRO  40          2HB       PRO  40  -4.226  -6.244   3.441
  277   1HG   PRO  40          1HG       PRO  40  -3.939  -8.815   4.764
  278   2HG   PRO  40          2HG       PRO  40  -4.136  -8.506   3.043
  279   1HD   PRO  40          1HD       PRO  40  -1.708  -9.283   4.448
  280   2HD   PRO  40          2HD       PRO  40  -1.907  -9.019   2.708
  281    H    HIS  41           H        HIS  41   0.178  -5.953   5.330
  282    HA   HIS  41           HA       HIS  41  -1.126  -3.937   7.061
  283   1HB   HIS  41          2HB       HIS  41   1.080  -3.784   8.229
  284   2HB   HIS  41          1HB       HIS  41   0.470  -5.446   8.263
  285    HD1  HIS  41           HD1      HIS  41   1.921  -7.301   6.856
  286    HD2  HIS  41           HD2      HIS  41   3.173  -3.270   6.567
  287    HE1  HIS  41           HE1      HIS  41   4.122  -7.299   5.523
  288    H    ARG  42           H        ARG  42   0.295  -4.127   4.269
  289    HA   ARG  42           HA       ARG  42   2.220  -1.923   4.589
  290   1HB   ARG  42          1HB       ARG  42   1.634  -3.890   2.391
  291   2HB   ARG  42          2HB       ARG  42   2.454  -2.432   1.904
  292   1HG   ARG  42          1HG       ARG  42   4.428  -3.133   2.741
  293   2HG   ARG  42          2HG       ARG  42   3.698  -3.376   4.328
  294   1HD   ARG  42          1HD       ARG  42   3.052  -5.682   3.732
  295   2HD   ARG  42          2HD       ARG  42   3.510  -5.414   2.037
  296    HE   ARG  42           HE       ARG  42   5.255  -6.196   4.124
  297   1HH1  ARG  42          1HH2      ARG  42   5.266  -5.088   0.714
  298   2HH1  ARG  42          2HH2      ARG  42   6.801  -5.880   0.839
  299   1HH2  ARG  42          1HH1      ARG  42   6.930  -3.903   3.927
  300   2HH2  ARG  42          2HH1      ARG  42   7.974  -4.465   2.664
  301    H    CYS  43           H        CYS  43   2.306   0.034   2.710
  302    HA   CYS  43           HA       CYS  43  -0.188   0.539   1.733
  303   1HB   CYS  43          2HB       CYS  43   2.542   1.454   0.742
  304   2HB   CYS  43          1HB       CYS  43   1.008   2.175   0.644
  305    H    GLN  44           H        GLN  44   2.639  -0.444   0.698
  306    HA   GLN  44           HA       GLN  44   3.495   0.063  -1.469
  307   1HB   GLN  44          2HB       GLN  44   3.211  -2.759  -0.887
  308   2HB   GLN  44          1HB       GLN  44   3.060  -2.531  -2.617
  309   1HG   GLN  44          1HG       GLN  44   5.321  -2.252  -2.778
  310   2HG   GLN  44          2HG       GLN  44   5.244  -0.866  -1.690
  311   1HE2  GLN  44          2HE2      GLN  44   5.172  -1.384   0.738
  312   2HE2  GLN  44          1HE2      GLN  44   5.114  -3.068   1.228
  313    H    MET  45           H        MET  45   2.929   0.929  -3.469
  314    HA   MET  45           HA       MET  45   0.986   2.271  -2.260
  315   1HB   MET  45          1HB       MET  45   0.798   3.695  -4.210
  316   2HB   MET  45          2HB       MET  45   2.426   3.024  -4.270
  317   1HG   MET  45          1HG       MET  45   0.001   2.217  -5.902
  318   2HG   MET  45          2HG       MET  45   1.518   2.880  -6.494
  319   1HE   MET  45          1HE       MET  45   0.005  -0.243  -7.442
  320   2HE   MET  45          2HE       MET  45   0.722   1.278  -8.022
  321   3HE   MET  45          3HE       MET  45   1.608  -0.245  -8.213
  322    H    PHE  46           H        PHE  46  -1.252   2.822  -2.563
  323    HA   PHE  46           HA       PHE  46  -2.610   0.523  -2.704
  324   1HB   PHE  46          1HB       PHE  46  -3.723   1.888  -1.204
  325   2HB   PHE  46          2HB       PHE  46  -2.887   3.276  -1.811
  326    HD1  PHE  46           HD1      PHE  46  -3.883   4.713  -3.640
  327    HD2  PHE  46           HD2      PHE  46  -6.075   1.479  -1.702
  328    HE1  PHE  46           HE1      PHE  46  -6.055   5.724  -4.412
  329    HE2  PHE  46           HE2      PHE  46  -8.248   2.489  -2.471
  330    HZ   PHE  46           HZ       PHE  46  -8.239   4.613  -3.826
  331    H    CYS  47           H        CYS  47  -1.864   0.606  -5.646
  332    HA   CYS  47           HA       CYS  47  -1.882   3.317  -5.796
  333   1HB   CYS  47          2HB       CYS  47  -1.229   1.299  -7.653
  334   2HB   CYS  47          1HB       CYS  47  -2.332   2.347  -8.519
  335    H    ASN  48           H        ASN  48  -4.427   1.115  -6.845
  336    HA   ASN  48           HA       ASN  48  -5.616   2.753  -8.728
  337   1HB   ASN  48          2HB       ASN  48  -7.846   1.408  -7.731
  338   2HB   ASN  48          1HB       ASN  48  -6.748   0.764  -8.931
  339   1HD2  ASN  48           HD2      ASN  48  -7.713   0.727  -5.536
  340    H    GLN  49           H        GLN  49  -6.008   5.418  -7.004
  341    HA   GLN  49           HA       GLN  49  -7.663   4.168  -9.100
  342   1HB   GLN  49          2HB       GLN  49  -7.555   6.711  -9.963
  343   2HB   GLN  49          1HB       GLN  49  -8.650   6.254  -8.682
  344   1HG   GLN  49          2HG       GLN  49  -5.869   7.074  -7.852
  345   2HG   GLN  49          1HG       GLN  49  -6.943   8.343  -8.429
  346   1HE2  GLN  49          1HE2      GLN  49  -6.939   9.222  -6.271
  347   2HE2  GLN  49          2HE2      GLN  49  -7.257   8.230  -4.859
  348    H    THR  50           H        THR  50  -4.711   6.401  -9.021
  349    HA   THR  50           HA       THR  50  -4.415   5.723 -11.816
  350    HB   THR  50           HB       THR  50  -6.721   6.714 -11.773
  351    HG1  THR  50           HG1      THR  50  -6.224   8.421 -13.249
  352   1HG2  THR  50          1HG2      THR  50  -7.226   8.613 -10.599
  353   2HG2  THR  50          2HG2      THR  50  -5.897   9.498 -11.348
  354   3HG2  THR  50          3HG2      THR  50  -5.607   8.533  -9.902
  355    H    ALA  51           H        ALA  51  -4.009   8.836 -12.393
  356    HA   ALA  51           HA       ALA  51  -2.308   7.125 -13.488
  357   1HB   ALA  51          1HB       ALA  51  -1.191   8.963 -14.645
  358   2HB   ALA  51          2HB       ALA  51  -1.534  10.082 -13.323
  359   3HB   ALA  51          3HB       ALA  51  -2.850   9.480 -14.336
  360    H    CYS  52           H        CYS  52  -0.758   5.934 -12.776
  361    HA   CYS  52           HA       CYS  52   0.374   6.854 -10.242
  362   1HB   CYS  52          2HB       CYS  52  -0.492   4.286 -11.439
  363   2HB   CYS  52          1HB       CYS  52   0.865   4.188 -10.293
  364    HA   PRO  53           HA       PRO  53   2.278   3.395 -12.191
  365   1HB   PRO  53          2HB       PRO  53   2.829   3.161 -14.859
  366   2HB   PRO  53          1HB       PRO  53   1.154   3.361 -14.315
  367   1HG   PRO  53          2HG       PRO  53   2.957   5.311 -15.629
  368   2HG   PRO  53          1HG       PRO  53   1.188   5.241 -15.636
  369   1HD   PRO  53          2HD       PRO  53   2.866   6.954 -14.030
  370   2HD   PRO  53          1HD       PRO  53   1.110   6.812 -13.942
  371    H    ALA  54           H        ALA  54   3.927   3.224 -11.271
  372    HA   ALA  54           HA       ALA  54   6.155   2.470 -10.949
  373   1HB   ALA  54          1HB       ALA  54   5.351   1.207 -13.558
  374   2HB   ALA  54          2HB       ALA  54   4.332   1.024 -12.145
  375   3HB   ALA  54          3HB       ALA  54   5.991   0.408 -12.072
  376    H    ASP  55           H        ASP  55   7.972   2.854 -11.185
  377    HA   ASP  55           HA       ASP  55   9.987   3.819 -11.938
  378   1HB   ASP  55          1HB       ASP  55  10.273   1.379 -11.802
  379   2HB   ASP  55          2HB       ASP  55   9.455   1.234 -13.354
  380    H    CYS  56           H        CYS  56   8.796   5.445 -12.845
  381    HA   CYS  56           HA       CYS  56   7.938   6.027 -15.224
  382   1HB   CYS  56          1HB       CYS  56   9.873   7.990 -14.485
  383   2HB   CYS  56          2HB       CYS  56   8.121   8.068 -14.230
  384    H    ASP  57           H        ASP  57   8.968   7.333 -17.020
  385    HA   ASP  57           HA       ASP  57  11.456   6.313 -17.950
  386   1HB   ASP  57          1HB       ASP  57   9.656   7.767 -19.229
  387   2HB   ASP  57          2HB       ASP  57  10.496   9.150 -18.533
  388    HA   PRO  58           HA       PRO  58  13.582   7.274 -14.514
  389   1HB   PRO  58          2HB       PRO  58  16.185   7.698 -15.759
  390   2HB   PRO  58          1HB       PRO  58  15.614   6.270 -14.907
  391   1HG   PRO  58          2HG       PRO  58  15.932   6.615 -17.772
  392   2HG   PRO  58          1HG       PRO  58  15.405   5.172 -16.917
  393   1HD   PRO  58          2HD       PRO  58  13.762   6.913 -18.524
  394   2HD   PRO  58          1HD       PRO  58  13.229   5.538 -17.538
  395    H    ASN  59           H        ASN  59  13.894   9.609 -17.200
  396    HA   ASN  59           HA       ASN  59  16.046  10.809 -15.632
  397   1HB   ASN  59          1HB       ASN  59  16.626  10.172 -17.978
  398   2HB   ASN  59          2HB       ASN  59  15.233  11.114 -18.566
  399   1HD2  ASN  59          1HD2      ASN  59  15.135  13.346 -18.026
  400   2HD2  ASN  59          2HD2      ASN  59  16.591  14.267 -18.373
  401    H    THR  60           H        THR  60  13.597  11.545 -17.602
  402    HA   THR  60           HA       THR  60  13.654  14.395 -16.847
  403    HB   THR  60           HB       THR  60  13.866  14.069 -19.192
  404    HG1  THR  60           HG1      THR  60  12.659  15.830 -18.517
  405   1HG2  THR  60          1HG2      THR  60  12.687  11.873 -19.181
  406   2HG2  THR  60          2HG2      THR  60  12.097  12.942 -20.477
  407   3HG2  THR  60          3HG2      THR  60  11.149  12.723 -18.984
  408    H    GLN  61           H        GLN  61  12.170  12.290 -15.285
  409    HA   GLN  61           HA       GLN  61  10.126  13.887 -14.330
  410   1HB   GLN  61          1HB       GLN  61   9.345  12.919 -16.846
  411   2HB   GLN  61          2HB       GLN  61   8.601  11.767 -15.763
  412   1HG   GLN  61          2HG       GLN  61   7.634  13.750 -14.449
  413   2HG   GLN  61          1HG       GLN  61   8.216  14.797 -15.737
  414   1HE2  GLN  61          2HE2      GLN  61   6.994  13.852 -18.301
  415   2HE2  GLN  61          1HE2      GLN  61   6.059  15.063 -17.443
  416    H    ALA  62           H        ALA  62  10.302  12.801 -12.054
  417    HA   ALA  62           HA       ALA  62   8.691  10.765 -11.585
  418   1HB   ALA  62          1HB       ALA  62   7.533  12.207 -10.162
  419   2HB   ALA  62          2HB       ALA  62   7.110  13.310 -11.471
  420   3HB   ALA  62          3HB       ALA  62   8.703  13.402 -10.719
  421    H    SER  63           H        SER  63   8.494   9.846 -13.776
  422    HA   SER  63           HA       SER  63   5.893  10.727 -14.862
  423   1HB   SER  63          2HB       SER  63   8.292   9.524 -16.063
  424   2HB   SER  63          1HB       SER  63   6.883   8.536 -16.437
  425    HG   SER  63           HG       SER  63   6.025  10.114 -17.499
  426    H    CYS  64           H        CYS  64   6.412   9.158 -12.324
  427    HA   CYS  64           HA       CYS  64   4.575   6.957 -12.827
  428   1HB   CYS  64          2HB       CYS  64   6.141   5.186 -12.324
  429   2HB   CYS  64          1HB       CYS  64   6.949   6.149 -13.517
  430    H    GLU  65           H        GLU  65   5.120   5.396 -10.538
  431    HA   GLU  65           HA       GLU  65   6.144   7.231  -8.527
  432   1HB   GLU  65          1HB       GLU  65   3.501   6.950  -8.524
  433   2HB   GLU  65          2HB       GLU  65   3.843   5.390  -7.817
  434   1HG   GLU  65          2HG       GLU  65   4.309   8.136  -6.628
  435   2HG   GLU  65          1HG       GLU  65   3.583   6.716  -5.882
  436    H    CYS  66           H        CYS  66   4.902   4.249  -9.102
  437    HA   CYS  66           HA       CYS  66   5.591   3.136  -6.745
  438   1HB   CYS  66          1HB       CYS  66   4.790   1.196  -8.875
  439   2HB   CYS  66          2HB       CYS  66   3.982   1.719  -7.406
  440    HA   PRO  67           HA       PRO  67   5.574   0.193  -6.709
  441   1HB   PRO  67          2HB       PRO  67   7.175  -2.173  -7.337
  442   2HB   PRO  67          1HB       PRO  67   5.442  -1.899  -7.627
  443   1HG   PRO  67          2HG       PRO  67   7.534  -1.921  -9.602
  444   2HG   PRO  67          1HG       PRO  67   5.839  -1.543  -9.840
  445   1HD   PRO  67          2HD       PRO  67   8.043   0.347  -9.877
  446   2HD   PRO  67          1HD       PRO  67   6.327   0.665 -10.126
  447    H    GLU  68           H        GLU  68   6.260  -1.489  -5.026
  448    HA   GLU  68           HA       GLU  68   8.197  -1.141  -3.255
  449   1HB   GLU  68          2HB       GLU  68   8.684  -3.709  -3.447
  450   2HB   GLU  68          1HB       GLU  68   7.096  -3.160  -2.974
  451   1HG   GLU  68          2HG       GLU  68   7.561  -3.524  -5.930
  452   2HG   GLU  68          1HG       GLU  68   7.456  -4.977  -4.947
  453    H    GLY  69           H        GLY  69   9.056  -3.339  -5.431
  454   1HA   GLY  69          1HA       GLY  69  11.083  -1.552  -6.739
  455   2HA   GLY  69          2HA       GLY  69  11.086  -3.319  -7.029
  456    H    TYR  70           H        TYR  70   8.476  -0.525  -8.244
  457    HA   TYR  70           HA       TYR  70  10.010   0.145 -10.016
  458   1HB   TYR  70          2HB       TYR  70  10.295   1.530  -8.011
  459   2HB   TYR  70          1HB       TYR  70  11.352   0.347  -7.271
  460    HD1  TYR  70           HD1      TYR  70  11.072   2.549 -10.341
  461    HD2  TYR  70           HD2      TYR  70  13.699   0.506  -7.523
  462    HE1  TYR  70           HE1      TYR  70  13.065   3.691 -11.371
  463    HE2  TYR  70           HE2      TYR  70  15.692   1.649  -8.549
  464    HH   TYR  70           HH       TYR  70  16.407   2.934 -10.328
  465    H    ILE  71           H        ILE  71  12.395  -0.093 -11.010
  466    HA   ILE  71           HA       ILE  71  12.202  -1.617 -12.765
  467    HB   ILE  71           HB       ILE  71  13.768  -2.751 -10.452
  468   1HG1  ILE  71          1HG1      ILE  71  14.790  -1.664 -13.084
  469   2HG1  ILE  71          2HG1      ILE  71  14.456  -0.645 -11.703
  470   1HG2  ILE  71          1HG2      ILE  71  14.920  -4.178 -12.408
  471   2HG2  ILE  71          2HG2      ILE  71  13.311  -4.075 -13.123
  472   3HG2  ILE  71          3HG2      ILE  71  13.525  -4.809 -11.533
  473   1HD1  ILE  71          1HD1      ILE  71  16.105  -2.989 -10.961
  474   2HD1  ILE  71          2HD1      ILE  71  16.393  -1.278 -10.643
  475   3HD1  ILE  71          3HD1      ILE  71  16.876  -1.982 -12.187
  476    H    LEU  72           H        LEU  72   9.735  -2.238 -10.556
  477    HA   LEU  72           HA       LEU  72   8.024  -2.544 -12.105
  478   1HB   LEU  72          1HB       LEU  72   8.880  -0.363 -12.339
  479   2HB   LEU  72          2HB       LEU  72  10.288  -0.878 -13.205
  480    HG   LEU  72           HG       LEU  72   8.214  -1.713 -14.888
  481   1HD1  LEU  72          1HD1      LEU  72   6.874   0.534 -14.920
  482   2HD1  LEU  72          2HD1      LEU  72   7.504   0.743 -13.295
  483   3HD1  LEU  72          3HD1      LEU  72   6.473  -0.661 -13.666
  484   1HD2  LEU  72          1HD2      LEU  72  10.343   0.080 -15.174
  485   2HD2  LEU  72          2HD2      LEU  72   8.940   1.132 -15.275
  486   3HD2  LEU  72          3HD2      LEU  72   9.082  -0.199 -16.404
  487    H    ASP  73           H        ASP  73   7.196  -3.357 -14.009
  488    HA   ASP  73           HA       ASP  73   8.407  -5.079 -15.739
  489   1HB   ASP  73          2HB       ASP  73   9.500  -5.926 -13.493
  490   2HB   ASP  73          1HB       ASP  73   7.919  -6.620 -13.150
  491    H    ASP  74           H        ASP  74   6.552  -5.568 -13.181
  492    HA   ASP  74           HA       ASP  74   4.694  -7.253 -14.228
  493   1HB   ASP  74          2HB       ASP  74   5.067  -6.456 -11.685
  494   2HB   ASP  74          1HB       ASP  74   3.547  -5.614 -11.972
  495    H    GLY  75           H        GLY  75   4.656  -4.680 -15.858
  496   1HA   GLY  75          2HA       GLY  75   2.022  -3.514 -15.478
  497   2HA   GLY  75          1HA       GLY  75   3.269  -2.806 -14.438
  498    H    PHE  76           H        PHE  76   4.750  -1.973 -15.179
  499    HA   PHE  76           HA       PHE  76   5.292   0.258 -16.094
  500   1HB   PHE  76          2HB       PHE  76   2.802  -0.231 -17.811
  501   2HB   PHE  76          1HB       PHE  76   3.825   1.195 -17.844
  502    HD1  PHE  76           HD1      PHE  76   6.584  -0.026 -17.754
  503    HD2  PHE  76           HD2      PHE  76   3.012  -1.179 -19.973
  504    HE1  PHE  76           HE1      PHE  76   8.027  -1.090 -19.521
  505    HE2  PHE  76           HE2      PHE  76   4.452  -2.242 -21.743
  506    HZ   PHE  76           HZ       PHE  76   6.961  -2.197 -21.517
  507    H    ILE  77           H        ILE  77   4.391  -0.644 -13.863
  508    HA   ILE  77           HA       ILE  77   1.905  -1.397 -14.093
  509    HB   ILE  77           HB       ILE  77   2.739  -2.670 -12.529
  510   1HG1  ILE  77          2HG1      ILE  77   1.716  -0.556 -10.676
  511   2HG1  ILE  77          1HG1      ILE  77   0.813  -1.937 -11.307
  512   1HG2  ILE  77          1HG2      ILE  77   4.453  -2.247 -11.063
  513   2HG2  ILE  77          2HG2      ILE  77   4.116  -0.525 -10.946
  514   3HG2  ILE  77          3HG2      ILE  77   4.884  -1.206 -12.406
  515   1HD1  ILE  77          1HD1      ILE  77   3.074  -1.928  -9.260
  516   2HD1  ILE  77          2HD1      ILE  77   2.689  -3.398 -10.155
  517   3HD1  ILE  77          3HD1      ILE  77   1.473  -2.653  -9.115
  518    H    CYS  78           H        CYS  78   0.013  -0.867 -12.571
  519    HA   CYS  78           HA       CYS  78  -0.178  -0.016 -10.395
  520   1HB   CYS  78          2HB       CYS  78   0.606   2.660 -11.524
  521   2HB   CYS  78          1HB       CYS  78   0.415   2.310  -9.829
  522    H    THR  79           H        THR  79  -2.777  -0.276 -11.663
  523    HA   THR  79           HA       THR  79  -1.858   1.011 -13.958
  524    HB   THR  79           HB       THR  79  -3.889  -0.809 -13.327
  525    HG1  THR  79           HG1      THR  79  -3.976  -0.054 -15.864
  526   1HG2  THR  79          1HG2      THR  79  -5.153   1.619 -14.693
  527   2HG2  THR  79          2HG2      THR  79  -5.646   0.905 -13.158
  528   3HG2  THR  79          3HG2      THR  79  -5.868   0.007 -14.660
  529    H    ASP  80           H        ASP  80  -1.602   3.599 -12.943
  530    HA   ASP  80           HA       ASP  80  -2.904   5.088 -14.586
  531   1HB   ASP  80          1HB       ASP  80  -0.362   4.730 -14.444
  532   2HB   ASP  80          2HB       ASP  80  -0.555   3.648 -15.840
  533    H    ILE  81           H        ILE  81  -2.732   4.550 -17.550
  534    HA   ILE  81           HA       ILE  81  -4.862   5.573 -16.366
  535    HB   ILE  81           HB       ILE  81  -5.361   4.486 -19.138
  536   1HG1  ILE  81          2HG1      ILE  81  -2.973   5.084 -19.126
  537   2HG1  ILE  81          1HG1      ILE  81  -3.905   6.167 -20.133
  538   1HG2  ILE  81          1HG2      ILE  81  -7.059   6.016 -18.162
  539   2HG2  ILE  81          2HG2      ILE  81  -6.262   6.751 -19.547
  540   3HG2  ILE  81          3HG2      ILE  81  -5.815   7.244 -17.914
  541   1HD1  ILE  81          1HD1      ILE  81  -3.662   7.990 -18.653
  542   2HD1  ILE  81          2HD1      ILE  81  -2.134   7.152 -18.388
  543   3HD1  ILE  81          3HD1      ILE  81  -3.460   6.957 -17.242
  544    H    ASP  82           H        ASP  82  -7.278   5.007 -16.080
  545    HA   ASP  82           HA       ASP  82  -7.970   2.482 -17.316
  546   1HB   ASP  82          1HB       ASP  82 -10.341   3.675 -17.409
  547   2HB   ASP  82          2HB       ASP  82  -9.680   3.225 -15.844
  548    H    GLU  83           H        GLU  83  -9.487   5.479 -18.390
  549    HA   GLU  83           HA       GLU  83  -8.553   4.708 -21.097
  550   1HB   GLU  83          1HB       GLU  83 -11.190   4.748 -20.116
  551   2HB   GLU  83          2HB       GLU  83 -11.080   6.274 -20.960
  552   1HG   GLU  83          1HG       GLU  83 -11.587   5.055 -22.838
  553   2HG   GLU  83          2HG       GLU  83  -9.902   4.544 -22.801
  554    H1   NAG 121           H1       ASN  21 -13.564  -1.195  11.452
  555    H2   NAG 121           H2       ASN  21 -15.361  -1.240   9.534
  556    H3   NAG 121           H3       ASN  21 -16.769   0.984  10.862
  557    H4   NAG 121           H4       ASN  21 -17.443  -1.839  11.777
  558    H5   NAG 121           H5       ASN  21 -16.608   0.223  13.761
  559   1H6   NAG 121          1H6       ASN  21 -15.389  -2.102  14.493
  560   2H6   NAG 121          2H6       ASN  21 -16.699  -2.759  13.511
  561   1H8   NAG 121          1H8       ASN  21 -13.755  -1.450   8.376
  562   2H8   NAG 121          2H8       ASN  21 -14.036  -0.003   7.385
  563   3H8   NAG 121          3H8       ASN  21 -12.378  -0.542   7.734
  564    HN2  NAG 121           HN2      ASN  21 -14.956   1.531  10.029
  565    HO4  NAG 121           HO4      ASN  21 -19.106  -0.400  11.602
  566    HO3  NAG 121           HO3      ASN  21 -18.250  -1.012   9.963
  567    HO6  NAG 121           H6       ASN  21 -18.076  -2.118  14.895
  568    H1   NAG 148           H1       ASN  48  -6.574  -2.006  -5.609
  569    H2   NAG 148           H2       ASN  48  -6.824  -0.145  -3.467
  570    H3   NAG 148           H3       ASN  48  -8.142  -1.528  -1.815
  571    H4   NAG 148           H4       ASN  48  -9.978  -2.967  -2.985
  572    H5   NAG 148           H5       ASN  48  -7.940  -3.771  -4.976
  573   1H6   NAG 148          1H6       ASN  48 -10.318  -3.380  -6.324
  574   2H6   NAG 148          2H6       ASN  48 -10.908  -3.676  -4.688
  575   1H8   NAG 148          1H8       ASN  48  -5.086  -1.021  -1.165
  576   2H8   NAG 148          2H8       ASN  48  -3.397  -0.963  -1.681
  577   3H8   NAG 148          3H8       ASN  48  -4.514   0.326  -2.153
  578    HN2  NAG 148           HN2      ASN  48  -6.202  -2.949  -2.929
  579    HO4  NAG 148           HO4      ASN  48  -8.684  -4.020  -1.758
  580    HO3  NAG 148           HO3      ASN  48 -10.159  -1.007  -3.330
  581    HO6  NAG 148           H6       ASN  48  -9.841  -5.343  -6.466
  Start of MODEL    9
    1   1H    HIS   1          1H        HIS   1  -0.396  -4.897  26.641
    2   2H    HIS   1          2H        HIS   1  -0.774  -3.419  27.386
    3   3H    HIS   1          3H        HIS   1  -0.236  -3.445  25.775
    4    HA   HIS   1           HA       HIS   1   1.297  -4.261  28.139
    5   1HB   HIS   1          1HB       HIS   1   2.034  -4.066  25.185
    6   2HB   HIS   1          2HB       HIS   1   3.236  -4.159  26.453
    7    HD2  HIS   1           HD2      HIS   1   0.463  -6.272  27.582
    8    HE1  HIS   1           HE1      HIS   1   2.887  -8.997  25.315
    9    HE2  HIS   1           HE2      HIS   1   0.953  -8.844  27.007
   10    H    MET   2           H        MET   2   2.019  -2.209  25.350
   11    HA   MET   2           HA       MET   2   2.441  -0.029  27.313
   12   1HB   MET   2          1HB       MET   2   4.279  -0.585  24.945
   13   2HB   MET   2          2HB       MET   2   4.615   0.453  26.314
   14   1HG   MET   2          1HG       MET   2   4.297  -1.808  27.715
   15   2HG   MET   2          2HG       MET   2   4.649  -2.571  26.175
   16   1HE   MET   2          1HE       MET   2   8.109  -1.803  25.247
   17   2HE   MET   2          2HE       MET   2   6.444  -2.116  24.728
   18   3HE   MET   2          3HE       MET   2   7.283  -3.282  25.765
   19    H    GLU   3           H        GLU   3   0.103  -0.199  25.469
   20    HA   GLU   3           HA       GLU   3   1.209   1.217  23.112
   21   1HB   GLU   3          2HB       GLU   3  -0.688  -1.073  22.642
   22   2HB   GLU   3          1HB       GLU   3   0.616  -0.496  21.617
   23   1HG   GLU   3          1HG       GLU   3   0.948  -2.126  24.176
   24   2HG   GLU   3          2HG       GLU   3   1.196  -2.705  22.537
   25    HA   PRO   4           HA       PRO   4  -2.820   3.153  22.670
   26   1HB   PRO   4          1HB       PRO   4  -2.762   3.076  19.814
   27   2HB   PRO   4          2HB       PRO   4  -2.272   4.428  20.828
   28   1HG   PRO   4          1HG       PRO   4  -0.586   2.549  19.331
   29   2HG   PRO   4          2HG       PRO   4  -0.113   4.060  20.121
   30   1HD   PRO   4          1HD       PRO   4   0.431   1.388  21.017
   31   2HD   PRO   4          2HD       PRO   4   0.773   2.886  21.902
   32    H    VAL   5           H        VAL   5  -2.787   0.429  23.132
   33    HA   VAL   5           HA       VAL   5  -2.487  -0.960  20.819
   34    HB   VAL   5           HB       VAL   5  -2.423  -1.604  23.451
   35   1HG1  VAL   5          1HG1      VAL   5  -4.587  -3.532  22.717
   36   2HG1  VAL   5          2HG1      VAL   5  -4.116  -2.900  24.295
   37   3HG1  VAL   5          3HG1      VAL   5  -5.075  -1.907  23.199
   38   1HG2  VAL   5          1HG2      VAL   5  -1.565  -2.832  21.181
   39   2HG2  VAL   5          2HG2      VAL   5  -1.398  -3.545  22.787
   40   3HG2  VAL   5          3HG2      VAL   5  -2.736  -4.027  21.745
   41    H    ASP   6           H        ASP   6  -3.980  -3.060  20.572
   42    HA   ASP   6           HA       ASP   6  -5.184  -2.004  18.492
   43   1HB   ASP   6          2HB       ASP   6  -5.429  -4.208  17.741
   44   2HB   ASP   6          1HB       ASP   6  -4.564  -4.564  19.197
   45    HA   PRO   7           HA       PRO   7  -8.278  -3.602  17.573
   46   1HB   PRO   7          1HB       PRO   7  -8.742  -1.763  15.431
   47   2HB   PRO   7          2HB       PRO   7  -9.962  -2.456  16.491
   48   1HG   PRO   7          1HG       PRO   7  -8.974   0.286  16.448
   49   2HG   PRO   7          2HG       PRO   7 -10.277  -0.378  17.426
   50   1HD   PRO   7          1HD       PRO   7  -7.573   0.306  18.286
   51   2HD   PRO   7          2HD       PRO   7  -8.904  -0.306  19.283
   52    H    CYS   8           H        CYS   8  -6.400  -0.780  16.568
   53    HA   CYS   8           HA       CYS   8  -4.883  -2.410  14.669
   54   1HB   CYS   8          2HB       CYS   8  -5.630  -0.479  13.667
   55   2HB   CYS   8          1HB       CYS   8  -5.440   0.508  15.125
   56    H    PHE   9           H        PHE   9  -4.488  -3.154  16.602
   57    HA   PHE   9           HA       PHE   9  -3.211  -3.180  18.804
   58   1HB   PHE   9          2HB       PHE   9  -2.934  -5.098  17.309
   59   2HB   PHE   9          1HB       PHE   9  -1.609  -4.263  16.498
   60    HD1  PHE   9           HD1      PHE   9   0.575  -4.985  17.195
   61    HD2  PHE   9           HD2      PHE   9  -2.712  -5.078  20.054
   62    HE1  PHE   9           HE1      PHE   9   2.098  -6.030  18.906
   63    HE2  PHE   9           HE2      PHE   9  -1.191  -6.115  21.774
   64    HZ   PHE   9           HZ       PHE   9   1.217  -6.587  21.200
   65    H    ARG  10           H        ARG  10  -0.147  -3.162  18.313
   66    HA   ARG  10           HA       ARG  10   0.003  -0.311  17.654
   67   1HB   ARG  10          2HB       ARG  10   1.576  -1.981  19.220
   68   2HB   ARG  10          1HB       ARG  10   2.638  -1.479  17.916
   69   1HG   ARG  10          1HG       ARG  10   0.846   0.650  19.109
   70   2HG   ARG  10          2HG       ARG  10   1.931  -0.063  20.191
   71   1HD   ARG  10          1HD       ARG  10   3.733   0.434  18.163
   72   2HD   ARG  10          2HD       ARG  10   2.561   1.731  17.859
   73    HE   ARG  10           HE       ARG  10   3.237   1.650  20.628
   74   1HH1  ARG  10          1HH1      ARG  10   3.709   4.625  19.445
   75   2HH1  ARG  10          2HH1      ARG  10   4.083   4.045  17.857
   76   1HH2  ARG  10          1HH2      ARG  10   6.190   1.805  19.011
   77   2HH2  ARG  10          2HH2      ARG  10   6.217   2.996  20.269
   78    H    ALA  11           H        ALA  11  -0.583  -2.694  15.876
   79    HA   ALA  11           HA       ALA  11   0.143  -3.169  13.549
   80   1HB   ALA  11          1HB       ALA  11  -2.087  -1.648  14.299
   81   2HB   ALA  11          2HB       ALA  11  -1.346  -0.636  13.058
   82   3HB   ALA  11          3HB       ALA  11  -1.824  -2.291  12.680
   83    H    ASN  12           H        ASN  12   2.238  -2.897  12.896
   84    HA   ASN  12           HA       ASN  12   2.344  -0.309  11.459
   85   1HB   ASN  12          1HB       ASN  12   4.438  -1.623  12.771
   86   2HB   ASN  12          2HB       ASN  12   4.654  -2.199  11.121
   87   1HD2  ASN  12          1HD2      ASN  12   6.834  -0.390  10.924
   88   2HD2  ASN  12          2HD2      ASN  12   6.502   0.323  12.491
   89    H    CYS  13           H        CYS  13   0.308  -2.167  10.186
   90    HA   CYS  13           HA       CYS  13   0.536  -1.217   7.875
   91   1HB   CYS  13          1HB       CYS  13   0.040   0.775  10.161
   92   2HB   CYS  13          2HB       CYS  13  -0.484   0.991   8.487
   93    H    GLU  14           H        GLU  14   2.411  -1.143   6.912
   94    HA   GLU  14           HA       GLU  14   4.511   0.582   7.131
   95   1HB   GLU  14          1HB       GLU  14   4.357  -0.600   5.071
   96   2HB   GLU  14          2HB       GLU  14   2.748  -0.003   4.751
   97   1HG   GLU  14          1HG       GLU  14   3.520   1.993   3.833
   98   2HG   GLU  14          2HG       GLU  14   4.878   2.101   4.947
   99    H    TYR  15           H        TYR  15   1.886   1.869   5.055
  100    HA   TYR  15           HA       TYR  15   1.723   4.321   6.474
  101   1HB   TYR  15          2HB       TYR  15   0.610   3.482   4.190
  102   2HB   TYR  15          1HB       TYR  15  -0.750   3.049   5.212
  103    HD1  TYR  15           HD1      TYR  15   1.663   5.992   5.393
  104    HD2  TYR  15           HD2      TYR  15  -2.438   4.658   4.735
  105    HE1  TYR  15           HE1      TYR  15   0.908   8.383   5.242
  106    HE2  TYR  15           HE2      TYR  15  -3.195   7.046   4.588
  107    HH   TYR  15           HH       TYR  15  -2.465   9.287   5.237
  108    H    GLN  16           H        GLN  16  -1.238   3.732   6.735
  109    HA   GLN  16           HA       GLN  16  -0.932   2.730   9.539
  110   1HB   GLN  16          1HB       GLN  16  -1.762   5.246   8.868
  111   2HB   GLN  16          2HB       GLN  16  -3.322   4.446   9.021
  112   1HG   GLN  16          1HG       GLN  16  -2.205   3.513  11.293
  113   2HG   GLN  16          2HG       GLN  16  -1.211   4.955  11.130
  114   1HE2  GLN  16          2HE2      GLN  16  -3.902   6.181   9.636
  115   2HE2  GLN  16          1HE2      GLN  16  -3.646   7.315  10.949
  116    H    CYS  17           H        CYS  17  -3.642   2.996  10.020
  117    HA   CYS  17           HA       CYS  17  -4.137   0.156   9.340
  118   1HB   CYS  17          1HB       CYS  17  -4.673   1.851  11.765
  119   2HB   CYS  17          2HB       CYS  17  -5.703   0.454  11.524
  120    H    GLN  18           H        GLN  18  -6.015  -0.394   7.991
  121    HA   GLN  18           HA       GLN  18  -8.399   0.710   9.294
  122   1HB   GLN  18          2HB       GLN  18  -8.164  -0.645   6.984
  123   2HB   GLN  18          1HB       GLN  18  -8.332  -2.038   8.061
  124   1HG   GLN  18          1HG       GLN  18 -10.551  -1.358   7.198
  125   2HG   GLN  18          2HG       GLN  18 -10.474  -1.092   8.937
  126   1HE2  GLN  18          1HE2      GLN  18  -9.007   0.846   6.291
  127   2HE2  GLN  18          2HE2      GLN  18  -9.415   2.355   7.082
  128    HA   PRO  19           HA       PRO  19  -8.796  -2.903  11.952
  129   1HB   PRO  19          1HB       PRO  19 -11.322  -1.821  12.823
  130   2HB   PRO  19          2HB       PRO  19  -9.893  -2.109  13.807
  131   1HG   PRO  19          1HG       PRO  19 -10.949   0.441  12.978
  132   2HG   PRO  19          2HG       PRO  19  -9.481   0.142  13.908
  133   1HD   PRO  19          1HD       PRO  19  -9.713   0.898  11.071
  134   2HD   PRO  19          2HD       PRO  19  -8.256   0.820  12.074
  135    H    LEU  20           H        LEU  20  -9.571  -3.813   9.277
  136    HA   LEU  20           HA       LEU  20  -9.678  -5.869  10.295
  137   1HB   LEU  20          1HB       LEU  20  -9.425  -5.700  12.543
  138   2HB   LEU  20          2HB       LEU  20 -10.202  -4.155  12.596
  139    HG   LEU  20           HG       LEU  20 -11.767  -6.680  12.371
  140   1HD1  LEU  20          1HD1      LEU  20 -11.890  -5.781  15.072
  141   2HD1  LEU  20          2HD1      LEU  20 -11.177  -7.279  14.473
  142   3HD1  LEU  20          3HD1      LEU  20 -10.180  -5.832  14.644
  143   1HD2  LEU  20          1HD2      LEU  20 -12.451  -3.882  12.472
  144   2HD2  LEU  20          2HD2      LEU  20 -13.535  -5.265  12.319
  145   3HD2  LEU  20          3HD2      LEU  20 -13.094  -4.661  13.917
  146    H    ASN  21           H        ASN  21 -12.198  -4.040  10.733
  147    HA   ASN  21           HA       ASN  21 -14.422  -4.028   9.375
  148   1HB   ASN  21          1HB       ASN  21 -12.312  -3.026   8.264
  149   2HB   ASN  21          2HB       ASN  21 -12.214  -4.564   7.375
  150   1HD2  ASN  21           HD2      ASN  21 -12.409  -2.846   5.633
  151    H    GLN  22           H        GLN  22 -13.858  -5.669   6.623
  152    HA   GLN  22           HA       GLN  22 -14.317  -8.343   7.438
  153   1HB   GLN  22          1HB       GLN  22 -13.699  -7.032   5.033
  154   2HB   GLN  22          2HB       GLN  22 -12.269  -7.999   5.309
  155   1HG   GLN  22          1HG       GLN  22 -13.829  -9.336   3.982
  156   2HG   GLN  22          2HG       GLN  22 -13.766 -10.042   5.594
  157   1HE2  GLN  22          2HE2      GLN  22 -15.938 -10.899   4.647
  158   2HE2  GLN  22          1HE2      GLN  22 -17.052 -10.214   5.816
  159    H    THR  23           H        THR  23 -11.444  -6.237   7.762
  160    HA   THR  23           HA       THR  23  -9.987  -8.365   6.540
  161    HB   THR  23           HB       THR  23  -8.538  -6.123   7.955
  162    HG1  THR  23           HG1      THR  23 -10.071  -5.792   5.641
  163   1HG2  THR  23          1HG2      THR  23  -8.036  -7.874   5.626
  164   2HG2  THR  23          2HG2      THR  23  -7.766  -6.173   5.247
  165   3HG2  THR  23          3HG2      THR  23  -6.887  -6.932   6.576
  166    H    SER  24           H        SER  24 -10.587  -7.602   9.580
  167    HA   SER  24           HA       SER  24  -9.588  -7.407  11.553
  168   1HB   SER  24          1HB       SER  24  -8.726  -9.330  12.639
  169   2HB   SER  24          2HB       SER  24  -9.946  -9.874  11.494
  170    HG   SER  24           HG       SER  24  -8.501 -11.007  10.605
  171    H    TYR  25           H        TYR  25  -7.807  -6.675  12.478
  172    HA   TYR  25           HA       TYR  25  -8.060  -4.788  10.615
  173   1HB   TYR  25          2HB       TYR  25  -6.815  -3.183  12.136
  174   2HB   TYR  25          1HB       TYR  25  -7.787  -4.316  13.069
  175    HD1  TYR  25           HD1      TYR  25  -6.749  -6.243  14.290
  176    HD2  TYR  25           HD2      TYR  25  -4.342  -3.308  12.141
  177    HE1  TYR  25           HE1      TYR  25  -4.694  -7.043  15.502
  178    HE2  TYR  25           HE2      TYR  25  -2.285  -4.112  13.350
  179    HH   TYR  25           HH       TYR  25  -1.588  -6.405  14.547
  180    H    LEU  26           H        LEU  26  -7.068  -3.509   9.485
  181    HA   LEU  26           HA       LEU  26  -4.992  -4.953   8.028
  182   1HB   LEU  26          2HB       LEU  26  -6.516  -4.985   6.359
  183   2HB   LEU  26          1HB       LEU  26  -7.655  -4.394   7.570
  184    HG   LEU  26           HG       LEU  26  -6.746  -2.034   6.853
  185   1HD1  LEU  26          1HD2      LEU  26  -6.627  -2.895   4.066
  186   2HD1  LEU  26          2HD2      LEU  26  -5.476  -1.910   4.969
  187   3HD1  LEU  26          3HD2      LEU  26  -5.341  -3.667   4.994
  188   1HD2  LEU  26          1HD1      LEU  26  -9.101  -3.106   6.568
  189   2HD2  LEU  26          2HD1      LEU  26  -8.688  -1.800   5.452
  190   3HD2  LEU  26          3HD1      LEU  26  -8.603  -3.475   4.921
  191    H    CYS  27           H        CYS  27  -4.158  -3.357   6.043
  192    HA   CYS  27           HA       CYS  27  -3.409  -0.863   7.447
  193   1HB   CYS  27          1HB       CYS  27  -1.448  -2.834   6.254
  194   2HB   CYS  27          2HB       CYS  27  -1.018  -1.156   6.628
  195    H    VAL  28           H        VAL  28  -2.725   0.907   6.099
  196    HA   VAL  28           HA       VAL  28  -5.235   0.730   4.731
  197    HB   VAL  28           HB       VAL  28  -3.392   3.042   5.374
  198   1HG1  VAL  28          1HG2      VAL  28  -4.760   4.174   3.927
  199   2HG1  VAL  28          2HG2      VAL  28  -6.066   2.999   4.082
  200   3HG1  VAL  28          3HG2      VAL  28  -5.856   4.251   5.314
  201   1HG2  VAL  28          1HG1      VAL  28  -4.314   3.285   7.477
  202   2HG2  VAL  28          2HG1      VAL  28  -5.889   2.665   7.004
  203   3HG2  VAL  28          3HG1      VAL  28  -4.563   1.536   7.251
  204    H    CYS  29           H        CYS  29  -2.262   0.793   3.611
  205    HA   CYS  29           HA       CYS  29  -1.586   3.247   3.017
  206   1HB   CYS  29          1HB       CYS  29  -0.957   0.712   1.537
  207   2HB   CYS  29          2HB       CYS  29  -0.040   2.143   1.093
  208    H    ALA  30           H        ALA  30  -0.760   3.743   1.084
  209    HA   ALA  30           HA       ALA  30  -2.725   5.575   0.669
  210   1HB   ALA  30          1HB       ALA  30  -0.022   5.364  -0.647
  211   2HB   ALA  30          2HB       ALA  30  -1.119   6.600  -1.264
  212   3HB   ALA  30          3HB       ALA  30  -0.645   6.609   0.435
  213    H    GLU  31           H        GLU  31  -4.698   4.850  -0.408
  214    HA   GLU  31           HA       GLU  31  -4.475   2.392  -1.280
  215   1HB   GLU  31          2HB       GLU  31  -6.546   4.030  -0.900
  216   2HB   GLU  31          1HB       GLU  31  -6.576   4.059  -2.646
  217   1HG   GLU  31          1HG       GLU  31  -6.385   1.368  -2.289
  218   2HG   GLU  31          2HG       GLU  31  -7.147   1.787  -0.755
  219    H    GLY  32           H        GLY  32  -4.987   1.297  -3.396
  220   1HA   GLY  32          1HA       GLY  32  -3.335   0.388  -4.678
  221   2HA   GLY  32          2HA       GLY  32  -3.446   1.915  -5.613
  222    H    PHE  33           H        PHE  33  -2.384   1.870  -2.174
  223    HA   PHE  33           HA       PHE  33  -0.459  -0.025  -3.297
  224   1HB   PHE  33          2HB       PHE  33   0.179   1.292  -0.689
  225   2HB   PHE  33          1HB       PHE  33   1.167   0.250  -1.758
  226    HD1  PHE  33           HD1      PHE  33   2.918   1.248  -2.847
  227    HD2  PHE  33           HD2      PHE  33  -0.655   3.579  -1.990
  228    HE1  PHE  33           HE1      PHE  33   4.079   3.321  -3.678
  229    HE2  PHE  33           HE2      PHE  33   0.464   5.644  -2.920
  230    HZ   PHE  33           HZ       PHE  33   2.839   5.507  -3.760
  231    H    ALA  34           H        ALA  34  -1.559  -1.875  -2.912
  232    HA   ALA  34           HA       ALA  34  -2.609  -2.250  -0.231
  233   1HB   ALA  34          1HB       ALA  34  -4.587  -1.153  -0.529
  234   2HB   ALA  34          2HB       ALA  34  -4.360  -1.058  -2.278
  235   3HB   ALA  34          3HB       ALA  34  -5.061  -2.511  -1.547
  236    HA   PRO  35           HA       PRO  35  -0.466  -3.923  -0.389
  237   1HB   PRO  35          1HB       PRO  35  -0.411  -6.744   0.354
  238   2HB   PRO  35          2HB       PRO  35  -0.217  -5.352   1.401
  239   1HG   PRO  35          1HG       PRO  35  -2.529  -7.084   1.161
  240   2HG   PRO  35          2HG       PRO  35  -2.326  -5.713   2.244
  241   1HD   PRO  35          1HD       PRO  35  -4.003  -5.829  -0.118
  242   2HD   PRO  35          2HD       PRO  35  -3.727  -4.433   0.931
  243    H    ILE  36           H        ILE  36   1.259  -4.337  -1.730
  244    HA   ILE  36           HA       ILE  36   1.820  -6.138  -3.589
  245    HB   ILE  36           HB       ILE  36   3.467  -4.919  -2.380
  246   1HG1  ILE  36          1HG1      ILE  36   3.971  -7.543  -3.174
  247   2HG1  ILE  36          2HG1      ILE  36   5.074  -6.216  -2.999
  248   1HG2  ILE  36          1HG2      ILE  36   4.211  -5.537  -0.074
  249   2HG2  ILE  36          2HG2      ILE  36   2.575  -4.875  -0.182
  250   3HG2  ILE  36          3HG2      ILE  36   2.811  -6.599   0.045
  251   1HD1  ILE  36          1HD1      ILE  36   5.458  -8.474  -1.667
  252   2HD1  ILE  36          2HD1      ILE  36   5.819  -6.918  -0.897
  253   3HD1  ILE  36          3HD1      ILE  36   4.321  -7.766  -0.525
  254    HA   PRO  37           HA       PRO  37   1.611 -10.619  -2.090
  255   1HB   PRO  37          2HB       PRO  37   4.516 -10.042  -2.536
  256   2HB   PRO  37          1HB       PRO  37   3.580 -11.448  -3.019
  257   1HG   PRO  37          1HG       PRO  37   4.267  -9.262  -4.710
  258   2HG   PRO  37          2HG       PRO  37   3.068 -10.496  -5.077
  259   1HD   PRO  37          1HD       PRO  37   2.552  -7.709  -4.551
  260   2HD   PRO  37          2HD       PRO  37   1.342  -8.983  -4.768
  261    H    HIS  38           H        HIS  38   4.506 -10.765  -0.711
  262    HA   HIS  38           HA       HIS  38   2.979 -11.904   1.135
  263   1HB   HIS  38          1HB       HIS  38   4.824 -11.554   2.863
  264   2HB   HIS  38          2HB       HIS  38   5.242 -12.382   1.350
  265    HD1  HIS  38           HD1      HIS  38   7.871 -11.541   1.874
  266    HD2  HIS  38           HD2      HIS  38   4.931  -8.591   1.172
  267    HE1  HIS  38           HE1      HIS  38   9.145  -9.396   1.271
  268    H    GLU  39           H        GLU  39   4.478  -9.756   2.953
  269    HA   GLU  39           HA       GLU  39   2.818 -10.419   4.844
  270   1HB   GLU  39          2HB       GLU  39   3.802  -7.540   4.876
  271   2HB   GLU  39          1HB       GLU  39   3.365  -8.487   6.309
  272   1HG   GLU  39          1HG       GLU  39   5.529  -9.442   4.412
  273   2HG   GLU  39          2HG       GLU  39   5.901  -8.313   5.711
  274    HA   PRO  40           HA       PRO  40  -1.139  -8.272   4.400
  275   1HB   PRO  40          1HB       PRO  40  -1.933  -9.200   7.011
  276   2HB   PRO  40          2HB       PRO  40  -2.452  -9.845   5.459
  277   1HG   PRO  40          1HG       PRO  40  -0.620 -11.054   7.370
  278   2HG   PRO  40          2HG       PRO  40  -1.207 -11.738   5.859
  279   1HD   PRO  40          1HD       PRO  40   1.436 -10.643   6.403
  280   2HD   PRO  40          2HD       PRO  40   0.855 -11.353   4.889
  281    H    HIS  41           H        HIS  41   1.252  -6.731   5.413
  282    HA   HIS  41           HA       HIS  41  -1.138  -5.071   5.913
  283   1HB   HIS  41          1HB       HIS  41   0.525  -3.179   6.539
  284   2HB   HIS  41          2HB       HIS  41   0.409  -4.539   7.658
  285    HD1  HIS  41           HD1      HIS  41   2.396  -6.661   6.831
  286    HD2  HIS  41           HD2      HIS  41   3.011  -2.526   6.180
  287    HE1  HIS  41           HE1      HIS  41   4.939  -6.332   6.624
  288    H    ARG  42           H        ARG  42   1.146  -5.862   3.861
  289    HA   ARG  42           HA       ARG  42   2.378  -3.425   3.792
  290   1HB   ARG  42          1HB       ARG  42   2.676  -5.679   1.815
  291   2HB   ARG  42          2HB       ARG  42   3.464  -4.162   1.440
  292   1HG   ARG  42          2HG       ARG  42   4.989  -4.299   3.125
  293   2HG   ARG  42          1HG       ARG  42   3.846  -5.088   4.221
  294   1HD   ARG  42          2HD       ARG  42   5.312  -6.913   3.735
  295   2HD   ARG  42          1HD       ARG  42   4.178  -7.113   2.387
  296    HE   ARG  42           HE       ARG  42   5.804  -6.262   0.933
  297   1HH1  ARG  42          1HH2      ARG  42   7.405  -7.703   3.436
  298   2HH1  ARG  42          2HH2      ARG  42   8.398  -6.392   3.980
  299   1HH2  ARG  42          2HH1      ARG  42   7.451  -4.207   1.446
  300   2HH2  ARG  42          1HH1      ARG  42   8.898  -4.927   2.069
  301    H    CYS  43           H        CYS  43   2.639  -1.685   2.360
  302    HA   CYS  43           HA       CYS  43   1.183  -1.902  -0.158
  303   1HB   CYS  43          2HB       CYS  43   2.071   0.661  -0.099
  304   2HB   CYS  43          1HB       CYS  43   0.658   0.006   0.716
  305    H    GLN  44           H        GLN  44   2.185  -2.461  -1.970
  306    HA   GLN  44           HA       GLN  44   4.613  -1.038  -2.618
  307   1HB   GLN  44          2HB       GLN  44   4.841  -3.714  -1.586
  308   2HB   GLN  44          1HB       GLN  44   5.142  -3.821  -3.308
  309   1HG   GLN  44          1HG       GLN  44   6.677  -1.617  -2.690
  310   2HG   GLN  44          2HG       GLN  44   6.787  -2.519  -1.180
  311   1HE2  GLN  44          1HE2      GLN  44   7.555  -4.999  -1.449
  312   2HE2  GLN  44          2HE2      GLN  44   7.314  -5.564  -3.091
  313    H    MET  45           H        MET  45   3.878  -0.327  -4.883
  314    HA   MET  45           HA       MET  45   1.545   0.239  -4.428
  315   1HB   MET  45          1HB       MET  45   1.566  -1.614  -6.857
  316   2HB   MET  45          2HB       MET  45   0.500  -0.254  -6.574
  317   1HG   MET  45          1HG       MET  45   3.210   0.752  -6.525
  318   2HG   MET  45          2HG       MET  45   3.028  -0.305  -7.918
  319   1HE   MET  45          1HE       MET  45   2.488   1.938 -10.282
  320   2HE   MET  45          2HE       MET  45   3.032   3.178  -9.136
  321   3HE   MET  45          3HE       MET  45   3.771   1.593  -9.131
  322    H    PHE  46           H        PHE  46  -1.043  -1.021  -4.710
  323    HA   PHE  46           HA       PHE  46   0.047  -3.662  -5.545
  324   1HB   PHE  46          1HB       PHE  46  -1.491  -3.790  -3.618
  325   2HB   PHE  46          2HB       PHE  46  -2.725  -2.949  -4.535
  326    HD1  PHE  46           HD1      PHE  46  -4.430  -4.230  -5.502
  327    HD2  PHE  46           HD2      PHE  46  -0.478  -5.991  -4.948
  328    HE1  PHE  46           HE1      PHE  46  -5.289  -6.428  -6.376
  329    HE2  PHE  46           HE2      PHE  46  -1.338  -8.192  -5.816
  330    HZ   PHE  46           HZ       PHE  46  -3.740  -8.407  -6.542
  331    H    CYS  47           H        CYS  47   0.378  -2.221  -7.742
  332    HA   CYS  47           HA       CYS  47  -0.593  -0.022  -8.208
  333   1HB   CYS  47          2HB       CYS  47  -0.020  -1.950 -10.085
  334   2HB   CYS  47          1HB       CYS  47  -1.654  -1.541 -10.548
  335    H    ASN  48           H        ASN  48  -2.983  -2.296  -9.551
  336    HA   ASN  48           HA       ASN  48  -5.249  -2.376  -9.344
  337   1HB   ASN  48          2HB       ASN  48  -4.326  -2.248  -6.749
  338   2HB   ASN  48          1HB       ASN  48  -5.321  -0.796  -6.780
  339   1HD2  ASN  48           HD2      ASN  48  -7.466  -0.939  -6.611
  340    H    GLN  49           H        GLN  49  -7.176  -0.672  -8.334
  341    HA   GLN  49           HA       GLN  49  -8.530   0.564  -9.708
  342   1HB   GLN  49          2HB       GLN  49  -6.798   2.244  -8.444
  343   2HB   GLN  49          1HB       GLN  49  -6.326   2.594 -10.090
  344   1HG   GLN  49          2HG       GLN  49  -8.033   4.164  -9.870
  345   2HG   GLN  49          1HG       GLN  49  -9.003   2.807 -10.433
  346   1HE2  GLN  49          1HE2      GLN  49  -7.947   3.804  -6.810
  347   2HE2  GLN  49          2HE2      GLN  49  -9.078   5.001  -7.413
  348    H    THR  50           H        THR  50  -9.074   0.808 -11.951
  349    HA   THR  50           HA       THR  50  -6.792   1.074 -13.747
  350    HB   THR  50           HB       THR  50  -9.009   2.188 -15.065
  351    HG1  THR  50           HG1      THR  50 -10.006   1.363 -13.007
  352   1HG2  THR  50          1HG2      THR  50  -8.312   0.534 -16.476
  353   2HG2  THR  50          2HG2      THR  50  -9.180  -0.628 -15.475
  354   3HG2  THR  50          3HG2      THR  50  -7.477  -0.293 -15.160
  355    H    ALA  51           H        ALA  51  -7.360   4.265 -14.901
  356    HA   ALA  51           HA       ALA  51  -5.763   2.186 -15.281
  357   1HB   ALA  51          1HB       ALA  51  -4.082   4.638 -15.022
  358   2HB   ALA  51          2HB       ALA  51  -5.551   4.873 -15.966
  359   3HB   ALA  51          3HB       ALA  51  -4.388   3.635 -16.443
  360    H    CYS  52           H        CYS  52  -3.103   1.878 -14.388
  361    HA   CYS  52           HA       CYS  52  -2.959   3.767 -12.169
  362   1HB   CYS  52          2HB       CYS  52  -0.748   2.159 -13.469
  363   2HB   CYS  52          1HB       CYS  52  -0.576   3.107 -12.008
  364    HA   PRO  53           HA       PRO  53   0.578   3.576 -14.524
  365   1HB   PRO  53          2HB       PRO  53   0.959   4.957 -17.052
  366   2HB   PRO  53          1HB       PRO  53   1.067   3.232 -16.743
  367   1HG   PRO  53          2HG       PRO  53  -1.079   4.673 -18.077
  368   2HG   PRO  53          1HG       PRO  53  -0.944   2.937 -17.844
  369   1HD   PRO  53          2HD       PRO  53  -2.737   4.741 -16.489
  370   2HD   PRO  53          1HD       PRO  53  -2.519   3.012 -16.150
  371    H    ALA  54           H        ALA  54   2.542   4.874 -14.872
  372    HA   ALA  54           HA       ALA  54   2.847   7.176 -13.621
  373   1HB   ALA  54          1HB       ALA  54   4.954   7.220 -14.589
  374   2HB   ALA  54          2HB       ALA  54   4.313   7.151 -16.231
  375   3HB   ALA  54          3HB       ALA  54   4.436   5.676 -15.272
  376    H    ASP  55           H        ASP  55   3.978   8.892 -15.860
  377    HA   ASP  55           HA       ASP  55   3.627  11.068 -15.328
  378   1HB   ASP  55          2HB       ASP  55   3.012  11.138 -17.609
  379   2HB   ASP  55          1HB       ASP  55   1.597  10.145 -17.347
  380    H    CYS  56           H        CYS  56   2.448   9.219 -13.245
  381    HA   CYS  56           HA       CYS  56   0.771  10.492 -11.771
  382   1HB   CYS  56          2HB       CYS  56   3.471  10.570 -10.665
  383   2HB   CYS  56          1HB       CYS  56   2.055   9.612 -10.172
  384    H    ASP  57           H        ASP  57   1.215  12.494 -10.060
  385    HA   ASP  57           HA       ASP  57   2.959  14.438 -10.903
  386   1HB   ASP  57          2HB       ASP  57   2.190  15.278  -8.817
  387   2HB   ASP  57          1HB       ASP  57   0.899  14.205  -9.248
  388    HA   PRO  58           HA       PRO  58   6.766  13.135  -8.764
  389   1HB   PRO  58          2HB       PRO  58   7.227  15.935  -8.137
  390   2HB   PRO  58          1HB       PRO  58   8.111  14.919  -9.268
  391   1HG   PRO  58          2HG       PRO  58   6.242  17.029  -9.907
  392   2HG   PRO  58          1HG       PRO  58   7.108  15.993 -11.034
  393   1HD   PRO  58          2HD       PRO  58   4.280  15.883 -10.334
  394   2HD   PRO  58          1HD       PRO  58   5.143  14.880 -11.511
  395    H    ASN  59           H        ASN  59   4.509  15.733  -7.501
  396    HA   ASN  59           HA       ASN  59   6.370  15.526  -5.269
  397   1HB   ASN  59          1HB       ASN  59   6.305  17.755  -6.292
  398   2HB   ASN  59          2HB       ASN  59   4.531  17.790  -6.216
  399   1HD2  ASN  59          1HD2      ASN  59   3.516  17.705  -4.159
  400   2HD2  ASN  59          2HD2      ASN  59   4.175  18.752  -2.915
  401    H    THR  60           H        THR  60   3.289  15.098  -5.952
  402    HA   THR  60           HA       THR  60   2.272  16.095  -3.377
  403    HB   THR  60           HB       THR  60   0.340  16.750  -4.409
  404    HG1  THR  60           HG1      THR  60  -0.841  15.282  -5.648
  405   1HG2  THR  60          1HG2      THR  60   1.392  15.629  -7.034
  406   2HG2  THR  60          2HG2      THR  60   2.103  17.071  -6.304
  407   3HG2  THR  60          3HG2      THR  60   0.403  17.067  -6.782
  408    H    GLN  61           H        GLN  61   1.679  13.594  -5.325
  409    HA   GLN  61           HA       GLN  61   1.288  11.665  -3.061
  410   1HB   GLN  61          2HB       GLN  61  -0.149  11.521  -5.303
  411   2HB   GLN  61          1HB       GLN  61   1.257  10.726  -5.959
  412   1HG   GLN  61          2HG       GLN  61   1.019   8.832  -4.595
  413   2HG   GLN  61          1HG       GLN  61   0.209   9.720  -3.310
  414   1HE2  GLN  61          1HE2      GLN  61  -0.616   7.295  -5.557
  415   2HE2  GLN  61          2HE2      GLN  61  -1.264   8.350  -6.800
  416    H    ALA  62           H        ALA  62   2.775   9.801  -2.786
  417    HA   ALA  62           HA       ALA  62   5.158   9.266  -3.783
  418   1HB   ALA  62          1HB       ALA  62   3.574   7.641  -2.687
  419   2HB   ALA  62          2HB       ALA  62   4.455   6.929  -4.041
  420   3HB   ALA  62          3HB       ALA  62   2.775   7.433  -4.245
  421    H    SER  63           H        SER  63   3.755   7.415  -5.875
  422    HA   SER  63           HA       SER  63   1.844   8.088  -7.184
  423   1HB   SER  63          2HB       SER  63   2.902  10.661  -7.071
  424   2HB   SER  63          1HB       SER  63   3.282  10.217  -8.722
  425    HG   SER  63           HG       SER  63   1.096   9.680  -8.965
  426    H    CYS  64           H        CYS  64   4.913   8.161  -8.151
  427    HA   CYS  64           HA       CYS  64   4.303   6.259 -10.385
  428   1HB   CYS  64          2HB       CYS  64   7.008   7.678 -10.115
  429   2HB   CYS  64          1HB       CYS  64   6.508   6.670 -11.449
  430    H    GLU  65           H        GLU  65   4.266   4.157  -8.741
  431    HA   GLU  65           HA       GLU  65   4.822   5.602  -6.491
  432   1HB   GLU  65          2HB       GLU  65   3.898   2.833  -7.313
  433   2HB   GLU  65          1HB       GLU  65   4.014   3.251  -5.665
  434   1HG   GLU  65          2HG       GLU  65   2.540   5.367  -6.298
  435   2HG   GLU  65          1HG       GLU  65   2.173   4.463  -7.761
  436    H    CYS  66           H        CYS  66   5.609   2.556  -7.523
  437    HA   CYS  66           HA       CYS  66   7.569   1.825  -5.836
  438   1HB   CYS  66          1HB       CYS  66   7.453   0.808  -8.703
  439   2HB   CYS  66          2HB       CYS  66   7.527  -0.065  -7.180
  440    HA   PRO  67           HA       PRO  67   9.559   0.388  -6.401
  441   1HB   PRO  67          1HB       PRO  67  11.350  -0.858  -8.316
  442   2HB   PRO  67          2HB       PRO  67   9.740  -1.412  -7.813
  443   1HG   PRO  67          2HG       PRO  67  10.336  -0.395 -10.393
  444   2HG   PRO  67          1HG       PRO  67   8.730  -0.555  -9.704
  445   1HD   PRO  67          2HD       PRO  67  10.438   1.918  -9.923
  446   2HD   PRO  67          1HD       PRO  67   8.672   1.792  -9.920
  447    H    GLU  68           H        GLU  68  11.684  -0.515  -5.482
  448    HA   GLU  68           HA       GLU  68  13.827   1.027  -5.202
  449   1HB   GLU  68          2HB       GLU  68  14.300  -1.866  -5.985
  450   2HB   GLU  68          1HB       GLU  68  15.147  -0.922  -4.783
  451   1HG   GLU  68          2HG       GLU  68  13.126  -0.885  -3.333
  452   2HG   GLU  68          1HG       GLU  68  12.207  -1.750  -4.561
  453    H    GLY  69           H        GLY  69  14.155   2.421  -7.094
  454   1HA   GLY  69          2HA       GLY  69  14.818   2.786  -9.328
  455   2HA   GLY  69          1HA       GLY  69  14.943   1.016  -9.558
  456    H    TYR  70           H        TYR  70  11.542   0.427  -9.379
  457    HA   TYR  70           HA       TYR  70  13.946  -0.707  -9.586
  458   1HB   TYR  70          2HB       TYR  70  11.636  -1.851 -10.013
  459   2HB   TYR  70          1HB       TYR  70  11.945  -1.565 -11.710
  460    HD1  TYR  70           HD1      TYR  70  15.193  -2.034 -10.350
  461    HD2  TYR  70           HD2      TYR  70  11.534  -4.233 -11.281
  462    HE1  TYR  70           HE1      TYR  70  16.494  -4.166 -10.413
  463    HE2  TYR  70           HE2      TYR  70  12.854  -6.374 -11.363
  464    HH   TYR  70           HH       TYR  70  15.446  -6.967 -11.807
  465    H    ILE  71           H        ILE  71  14.341  -1.863 -12.339
  466    HA   ILE  71           HA       ILE  71  14.405   0.608 -13.963
  467    HB   ILE  71           HB       ILE  71  15.332  -2.127 -14.877
  468   1HG1  ILE  71          1HG1      ILE  71  16.595  -1.840 -12.889
  469   2HG1  ILE  71          2HG1      ILE  71  17.654  -1.393 -14.205
  470   1HG2  ILE  71          1HG2      ILE  71  15.156  -0.558 -16.690
  471   2HG2  ILE  71          2HG2      ILE  71  16.874  -0.666 -16.303
  472   3HG2  ILE  71          3HG2      ILE  71  15.931   0.723 -15.759
  473   1HD1  ILE  71          1HD1      ILE  71  16.817   0.230 -11.947
  474   2HD1  ILE  71          2HD1      ILE  71  16.285   1.014 -13.436
  475   3HD1  ILE  71          3HD1      ILE  71  17.991   0.630 -13.202
  476    H    LEU  72           H        LEU  72  11.823  -1.720 -13.350
  477    HA   LEU  72           HA       LEU  72  10.110  -0.186 -13.589
  478   1HB   LEU  72          2HB       LEU  72  11.639   0.967 -12.061
  479   2HB   LEU  72          1HB       LEU  72  12.711   1.432 -13.341
  480    HG   LEU  72           HG       LEU  72  10.642   2.777 -14.269
  481   1HD1  LEU  72          1HD1      LEU  72   9.830   3.420 -11.625
  482   2HD1  LEU  72          2HD1      LEU  72   9.772   1.656 -11.781
  483   3HD1  LEU  72          3HD1      LEU  72   8.875   2.646 -12.929
  484   1HD2  LEU  72          1HD2      LEU  72  11.644   4.662 -13.498
  485   2HD2  LEU  72          2HD2      LEU  72  12.939   3.522 -13.127
  486   3HD2  LEU  72          3HD2      LEU  72  11.825   4.043 -11.855
  487    H    ASP  73           H        ASP  73   8.962   1.342 -14.765
  488    HA   ASP  73           HA       ASP  73   9.944   1.810 -17.391
  489   1HB   ASP  73          2HB       ASP  73   9.586  -0.227 -18.335
  490   2HB   ASP  73          1HB       ASP  73   9.099  -0.843 -16.767
  491    H    ASP  74           H        ASP  74   9.171   3.501 -17.717
  492    HA   ASP  74           HA       ASP  74   7.758   5.355 -17.988
  493   1HB   ASP  74          2HB       ASP  74   6.321   2.820 -18.854
  494   2HB   ASP  74          1HB       ASP  74   5.337   4.278 -18.760
  495    H    GLY  75           H        GLY  75   6.056   6.633 -15.788
  496   1HA   GLY  75          2HA       GLY  75   8.752   5.495 -16.275
  497   2HA   GLY  75          1HA       GLY  75   8.237   7.196 -16.462
  498    H    PHE  76           H        PHE  76   6.990   5.887 -13.836
  499    HA   PHE  76           HA       PHE  76   9.459   5.040 -12.741
  500   1HB   PHE  76          2HB       PHE  76   8.352   7.492 -11.568
  501   2HB   PHE  76          1HB       PHE  76   8.456   6.249 -10.332
  502    HD1  PHE  76           HD1      PHE  76  10.309   8.579 -12.475
  503    HD2  PHE  76           HD2      PHE  76  10.693   5.132  -9.831
  504    HE1  PHE  76           HE1      PHE  76  12.778   9.019 -12.262
  505    HE2  PHE  76           HE2      PHE  76  13.165   5.563  -9.625
  506    HZ   PHE  76           HZ       PHE  76  14.208   7.506 -10.842
  507    H    ILE  77           H        ILE  77   7.003   4.035 -13.639
  508    HA   ILE  77           HA       ILE  77   5.058   4.369 -11.906
  509    HB   ILE  77           HB       ILE  77   4.753   4.107 -14.086
  510   1HG1  ILE  77          1HG1      ILE  77   2.686   3.571 -13.892
  511   2HG1  ILE  77          2HG1      ILE  77   2.917   1.977 -13.184
  512   1HG2  ILE  77          1HG2      ILE  77   4.771   1.988 -15.334
  513   2HG2  ILE  77          2HG2      ILE  77   5.344   1.128 -13.894
  514   3HG2  ILE  77          3HG2      ILE  77   6.343   2.359 -14.641
  515   1HD1  ILE  77          1HD1      ILE  77   1.830   3.350 -11.517
  516   2HD1  ILE  77          2HD1      ILE  77   2.757   4.775 -11.966
  517   3HD1  ILE  77          3HD1      ILE  77   3.512   3.509 -11.023
  518    H    CYS  78           H        CYS  78   3.579   1.783 -11.445
  519    HA   CYS  78           HA       CYS  78   5.802  -0.183 -11.457
  520   1HB   CYS  78          2HB       CYS  78   3.242  -0.153  -9.884
  521   2HB   CYS  78          1HB       CYS  78   3.608  -1.663 -10.653
  522    H    THR  79           H        THR  79   2.273  -0.226 -11.901
  523    HA   THR  79           HA       THR  79   2.326  -0.289 -14.707
  524    HB   THR  79           HB       THR  79   3.382  -2.622 -13.870
  525    HG1  THR  79           HG1      THR  79   1.652  -3.145 -15.830
  526   1HG2  THR  79          1HG2      THR  79   1.223  -3.168 -12.547
  527   2HG2  THR  79          2HG2      THR  79   1.773  -4.418 -13.662
  528   3HG2  THR  79          3HG2      THR  79   0.428  -3.368 -14.108
  529    H    ASP  80           H        ASP  80   0.154   1.091 -14.339
  530    HA   ASP  80           HA       ASP  80  -2.028  -0.082 -14.964
  531   1HB   ASP  80          2HB       ASP  80  -1.823   0.637 -17.260
  532   2HB   ASP  80          1HB       ASP  80  -0.685   1.650 -16.356
  533    H    ILE  81           H        ILE  81  -2.530  -2.660 -14.921
  534    HA   ILE  81           HA       ILE  81  -3.405  -3.600 -16.855
  535    HB   ILE  81           HB       ILE  81  -3.187  -0.718 -17.789
  536   1HG1  ILE  81          2HG1      ILE  81  -3.836  -0.815 -15.360
  537   2HG1  ILE  81          1HG1      ILE  81  -5.053  -0.120 -16.398
  538   1HG2  ILE  81          1HG2      ILE  81  -5.800  -1.778 -18.163
  539   2HG2  ILE  81          2HG2      ILE  81  -4.685  -3.044 -18.680
  540   3HG2  ILE  81          3HG2      ILE  81  -4.595  -1.438 -19.406
  541   1HD1  ILE  81          1HD1      ILE  81  -5.567  -2.126 -14.578
  542   2HD1  ILE  81          2HD1      ILE  81  -5.300  -3.079 -16.037
  543   3HD1  ILE  81          3HD1      ILE  81  -6.552  -1.839 -16.014
  544    H    ASP  82           H        ASP  82  -3.114  -2.089 -19.466
  545    HA   ASP  82           HA       ASP  82  -1.356  -4.195 -20.354
  546   1HB   ASP  82          2HB       ASP  82  -3.078  -2.103 -21.751
  547   2HB   ASP  82          1HB       ASP  82  -1.929  -3.039 -22.700
  548    H    GLU  83           H        GLU  83   0.886  -1.978 -19.173
  549    HA   GLU  83           HA       GLU  83   0.562  -4.670 -20.107
  550   1HB   GLU  83          1HB       GLU  83   2.699  -2.898 -21.309
  551   2HB   GLU  83          2HB       GLU  83   3.129  -4.560 -20.983
  552   1HG   GLU  83          1HG       GLU  83   0.626  -4.804 -22.240
  553   2HG   GLU  83          2HG       GLU  83   1.383  -3.470 -23.104
  554    H1   NAG 121           H1       ASN  21 -15.247  -2.624   4.947
  555    H2   NAG 121           H2       ASN  21 -13.388  -0.227   5.372
  556    H3   NAG 121           H3       ASN  21 -16.235  -0.046   4.334
  557    H4   NAG 121           H4       ASN  21 -13.783   0.235   2.566
  558    H5   NAG 121           H5       ASN  21 -15.646  -2.171   2.743
  559   1H6   NAG 121          1H6       ASN  21 -14.308  -1.273   0.502
  560   2H6   NAG 121          2H6       ASN  21 -14.668  -2.972   0.812
  561   1H8   NAG 121          1H8       ASN  21 -12.619  -1.240   7.395
  562   2H8   NAG 121          2H8       ASN  21 -12.732  -0.348   8.924
  563   3H8   NAG 121          3H8       ASN  21 -13.792  -1.739   8.633
  564    HN2  NAG 121           HN2      ASN  21 -15.968  -0.861   6.676
  565    HO4  NAG 121           HO4      ASN  21 -16.475  -0.179   1.965
  566    HO3  NAG 121           HO3      ASN  21 -14.410   1.831   3.727
  567    HO6  NAG 121           H6       ASN  21 -12.363  -1.671   1.714
  568    H1   NAG 148           H1       ASN  48  -8.680  -3.573  -6.695
  569    H2   NAG 148           H2       ASN  48  -7.878  -2.248  -4.055
  570    H3   NAG 148           H3       ASN  48  -9.537  -4.780  -4.234
  571    H4   NAG 148           H4       ASN  48 -10.754  -2.073  -3.605
  572    H5   NAG 148           H5       ASN  48 -10.922  -3.557  -6.262
  573   1H6   NAG 148          1H6       ASN  48 -12.050  -0.837  -5.429
  574   2H6   NAG 148          2H6       ASN  48 -13.010  -2.306  -5.606
  575   1H8   NAG 148          1H8       ASN  48  -5.575  -2.104  -4.868
  576   2H8   NAG 148          2H8       ASN  48  -5.978  -1.800  -3.166
  577   3H8   NAG 148          3H8       ASN  48  -4.431  -2.553  -3.599
  578    HN2  NAG 148           HN2      ASN  48  -7.119  -4.823  -5.273
  579    HO4  NAG 148           HO4      ASN  48 -12.006  -3.545  -2.896
  580    HO3  NAG 148           HO3      ASN  48 -10.042  -3.892  -2.110
  581    HO6  NAG 148           H6       ASN  48 -11.882  -0.676  -7.477
  Start of MODEL   10
    1   1H    HIS   1          1H        HIS   1   6.113   2.478  19.278
    2   2H    HIS   1          2H        HIS   1   5.543   0.881  19.172
    3   3H    HIS   1          3H        HIS   1   4.637   2.053  20.003
    4    HA   HIS   1           HA       HIS   1   5.661   0.706  21.570
    5   1HB   HIS   1          1HB       HIS   1   8.096   0.380  21.650
    6   2HB   HIS   1          2HB       HIS   1   7.486  -0.161  20.101
    7    HD2  HIS   1           HD2      HIS   1  10.370   0.466  19.781
    8    HE1  HIS   1           HE1      HIS   1   9.480   4.510  18.643
    9    HE2  HIS   1           HE2      HIS   1  11.307   2.695  18.625
   10    H    MET   2           H        MET   2   5.066   3.714  20.983
   11    HA   MET   2           HA       MET   2   5.507   3.582  23.897
   12   1HB   MET   2          1HB       MET   2   5.434   6.175  22.275
   13   2HB   MET   2          2HB       MET   2   5.582   6.094  24.015
   14   1HG   MET   2          1HG       MET   2   7.731   4.654  23.580
   15   2HG   MET   2          2HG       MET   2   7.628   5.241  21.929
   16   1HE   MET   2          1HE       MET   2   6.223   8.289  22.828
   17   2HE   MET   2          2HE       MET   2   7.107   7.705  21.409
   18   3HE   MET   2          3HE       MET   2   7.726   9.085  22.332
   19    H    GLU   3           H        GLU   3   3.153   2.595  22.357
   20    HA   GLU   3           HA       GLU   3   1.571   5.102  22.195
   21   1HB   GLU   3          2HB       GLU   3   1.574   2.802  20.204
   22   2HB   GLU   3          1HB       GLU   3   0.701   4.323  20.019
   23   1HG   GLU   3          1HG       GLU   3   3.743   4.214  20.282
   24   2HG   GLU   3          2HG       GLU   3   2.931   4.134  18.724
   25    HA   PRO   4           HA       PRO   4  -2.032   2.626  23.345
   26   1HB   PRO   4          1HB       PRO   4  -3.756   4.272  21.689
   27   2HB   PRO   4          2HB       PRO   4  -3.633   4.288  23.443
   28   1HG   PRO   4          1HG       PRO   4  -2.647   6.287  21.591
   29   2HG   PRO   4          2HG       PRO   4  -2.525   6.301  23.346
   30   1HD   PRO   4          2HD       PRO   4  -0.406   5.745  21.410
   31   2HD   PRO   4          1HD       PRO   4  -0.262   5.864  23.171
   32    H    VAL   5           H        VAL   5  -0.357   2.615  20.774
   33    HA   VAL   5           HA       VAL   5  -0.585   1.294  18.729
   34    HB   VAL   5           HB       VAL   5   0.862   0.415  20.116
   35   1HG1  VAL   5          1HG1      VAL   5  -0.441  -1.292  22.039
   36   2HG1  VAL   5          2HG1      VAL   5   0.508   0.160  22.356
   37   3HG1  VAL   5          3HG1      VAL   5  -1.234   0.280  22.093
   38   1HG2  VAL   5          1HG2      VAL   5  -0.778  -1.383  18.690
   39   2HG2  VAL   5          2HG2      VAL   5   0.884  -1.676  19.198
   40   3HG2  VAL   5          3HG2      VAL   5  -0.453  -2.210  20.215
   41    H    ASP   6           H        ASP   6  -2.728   2.030  18.648
   42    HA   ASP   6           HA       ASP   6  -5.054   0.674  19.161
   43   1HB   ASP   6          1HB       ASP   6  -4.475   2.527  17.015
   44   2HB   ASP   6          2HB       ASP   6  -5.183   1.200  16.283
   45    HA   PRO   7           HA       PRO   7  -5.075  -3.208  16.667
   46   1HB   PRO   7          1HB       PRO   7  -7.746  -2.564  15.662
   47   2HB   PRO   7          2HB       PRO   7  -7.260  -3.883  16.720
   48   1HG   PRO   7          1HG       PRO   7  -8.668  -1.491  17.477
   49   2HG   PRO   7          2HG       PRO   7  -8.095  -2.764  18.548
   50   1HD   PRO   7          1HD       PRO   7  -7.023  -0.085  18.256
   51   2HD   PRO   7          2HD       PRO   7  -6.448  -1.356  19.343
   52    H    CYS   8           H        CYS   8  -6.222  -0.033  15.397
   53    HA   CYS   8           HA       CYS   8  -4.725  -0.652  12.998
   54   1HB   CYS   8          2HB       CYS   8  -6.338   1.041  12.596
   55   2HB   CYS   8          1HB       CYS   8  -6.005   1.821  14.143
   56    H    PHE   9           H        PHE   9  -4.195   2.150  14.917
   57    HA   PHE   9           HA       PHE   9  -1.662   2.571  14.245
   58   1HB   PHE   9          1HB       PHE   9  -3.172   3.917  15.832
   59   2HB   PHE   9          2HB       PHE   9  -2.582   2.832  17.107
   60    HD1  PHE   9           HD1      PHE   9  -1.527   4.508  18.498
   61    HD2  PHE   9           HD2      PHE   9  -0.443   4.137  14.285
   62    HE1  PHE   9           HE1      PHE   9   0.460   6.003  18.876
   63    HE2  PHE   9           HE2      PHE   9   1.529   5.641  14.660
   64    HZ   PHE   9           HZ       PHE   9   1.980   6.583  16.949
   65    H    ARG  10           H        ARG  10   0.435   2.374  15.631
   66    HA   ARG  10           HA       ARG  10   2.038   0.888  15.675
   67   1HB   ARG  10          2HB       ARG  10   0.183  -0.093  17.526
   68   2HB   ARG  10          1HB       ARG  10   0.648  -1.524  16.603
   69   1HG   ARG  10          1HG       ARG  10   3.001   0.109  17.204
   70   2HG   ARG  10          2HG       ARG  10   2.095  -0.071  18.635
   71   1HD   ARG  10          1HD       ARG  10   2.092  -2.705  18.002
   72   2HD   ARG  10          2HD       ARG  10   3.461  -2.232  16.984
   73    HE   ARG  10           HE       ARG  10   4.486  -1.323  19.089
   74   1HH1  ARG  10          2HH1      ARG  10   1.653  -3.674  20.050
   75   2HH1  ARG  10          1HH1      ARG  10   2.083  -2.574  21.317
   76   1HH2  ARG  10          1HH2      ARG  10   5.132  -4.121  19.669
   77   2HH2  ARG  10          2HH2      ARG  10   4.689  -3.839  21.320
   78    H    ALA  11           H        ALA  11  -0.623   0.362  14.038
   79    HA   ALA  11           HA       ALA  11  -0.772  -2.168  13.051
   80   1HB   ALA  11          1HB       ALA  11  -1.260  -0.783  10.644
   81   2HB   ALA  11          2HB       ALA  11  -2.441  -1.066  11.922
   82   3HB   ALA  11          3HB       ALA  11  -1.535   0.441  11.886
   83    H    ASN  12           H        ASN  12   0.084  -3.369  11.167
   84    HA   ASN  12           HA       ASN  12   2.591  -2.135  10.181
   85   1HB   ASN  12          1HB       ASN  12   1.772  -4.969  10.729
   86   2HB   ASN  12          2HB       ASN  12   2.716  -4.760   9.260
   87   1HD2  ASN  12          2HD2      ASN  12   4.847  -5.819  10.473
   88   2HD2  ASN  12          1HD2      ASN  12   4.302  -5.839  12.140
   89    H    CYS  13           H        CYS  13  -0.334  -1.974   9.262
   90    HA   CYS  13           HA       CYS  13  -0.644  -2.449   6.686
   91   1HB   CYS  13          1HB       CYS  13  -0.934   0.372   7.849
   92   2HB   CYS  13          2HB       CYS  13  -1.739  -0.262   6.406
   93    H    GLU  14           H        GLU  14   1.043  -2.843   5.551
   94    HA   GLU  14           HA       GLU  14   2.861  -1.312   4.269
   95   1HB   GLU  14          1HB       GLU  14   1.935  -3.353   3.236
   96   2HB   GLU  14          2HB       GLU  14   0.477  -2.499   2.810
   97   1HG   GLU  14          1HG       GLU  14   2.470  -2.777   1.042
   98   2HG   GLU  14          2HG       GLU  14   1.506  -1.303   1.075
   99    H    TYR  15           H        TYR  15  -0.533  -0.809   3.157
  100    HA   TYR  15           HA       TYR  15  -0.107   2.059   3.194
  101   1HB   TYR  15          2HB       TYR  15  -1.884   0.577   1.859
  102   2HB   TYR  15          1HB       TYR  15  -2.903   0.863   3.255
  103    HD1  TYR  15           HD1      TYR  15  -3.917   3.046   3.647
  104    HD2  TYR  15           HD2      TYR  15  -0.912   2.515   0.529
  105    HE1  TYR  15           HE1      TYR  15  -4.572   5.251   2.647
  106    HE2  TYR  15           HE2      TYR  15  -1.549   4.740  -0.459
  107    HH   TYR  15           HH       TYR  15  -2.653   6.935   0.447
  108    H    GLN  16           H        GLN  16  -2.887   2.129   4.448
  109    HA   GLN  16           HA       GLN  16  -1.946   2.040   7.266
  110   1HB   GLN  16          2HB       GLN  16  -3.173   4.084   5.837
  111   2HB   GLN  16          1HB       GLN  16  -4.528   3.434   6.713
  112   1HG   GLN  16          1HG       GLN  16  -3.135   3.617   8.862
  113   2HG   GLN  16          2HG       GLN  16  -1.898   4.446   7.926
  114   1HE2  GLN  16          1HE2      GLN  16  -3.196   6.268   6.320
  115   2HE2  GLN  16          2HE2      GLN  16  -4.857   6.570   6.795
  116    H    CYS  17           H        CYS  17  -4.510   2.424   8.193
  117    HA   CYS  17           HA       CYS  17  -4.939  -0.497   8.544
  118   1HB   CYS  17          1HB       CYS  17  -6.309   0.467  10.674
  119   2HB   CYS  17          2HB       CYS  17  -4.576   0.235  10.694
  120    H    GLN  18           H        GLN  18  -6.904  -1.429   7.441
  121    HA   GLN  18           HA       GLN  18  -9.135  -0.130   8.819
  122   1HB   GLN  18          1HB       GLN  18  -9.035  -1.750   6.633
  123   2HB   GLN  18          2HB       GLN  18  -9.274  -2.975   7.882
  124   1HG   GLN  18          1HG       GLN  18 -11.503  -2.516   7.727
  125   2HG   GLN  18          2HG       GLN  18 -11.157  -0.995   8.547
  126   1HE2  GLN  18          2HE2      GLN  18  -9.921   0.612   6.789
  127   2HE2  GLN  18          1HE2      GLN  18 -10.230   0.294   5.092
  128    HA   PRO  19           HA       PRO  19  -9.578  -3.472  11.811
  129   1HB   PRO  19          1HB       PRO  19 -12.023  -2.094  12.460
  130   2HB   PRO  19          2HB       PRO  19 -10.668  -2.425  13.542
  131   1HG   PRO  19          1HG       PRO  19 -11.451   0.130  12.409
  132   2HG   PRO  19          2HG       PRO  19 -10.125  -0.192  13.520
  133   1HD   PRO  19          1HD       PRO  19  -9.953   0.382  10.669
  134   2HD   PRO  19          2HD       PRO  19  -8.617   0.098  11.796
  135    H    LEU  20           H        LEU  20 -10.328  -4.968   9.904
  136    HA   LEU  20           HA       LEU  20 -12.837  -5.408   9.566
  137   1HB   LEU  20          1HB       LEU  20 -11.490  -6.874  11.876
  138   2HB   LEU  20          2HB       LEU  20 -12.737  -7.525  10.827
  139    HG   LEU  20           HG       LEU  20 -10.017  -6.623  10.260
  140   1HD1  LEU  20          1HD1      LEU  20  -9.477  -8.911   9.703
  141   2HD1  LEU  20          2HD1      LEU  20 -10.761  -9.152  10.900
  142   3HD1  LEU  20          3HD1      LEU  20 -11.119  -9.255   9.183
  143   1HD2  LEU  20          1HD2      LEU  20 -10.872  -5.766   8.281
  144   2HD2  LEU  20          2HD2      LEU  20 -10.698  -7.430   7.729
  145   3HD2  LEU  20          3HD2      LEU  20 -12.262  -6.847   8.297
  146    H    ASN  21           H        ASN  21 -11.415  -4.897  12.571
  147    HA   ASN  21           HA       ASN  21 -12.292  -5.240  14.768
  148   1HB   ASN  21          2HB       ASN  21 -13.475  -3.343  15.614
  149   2HB   ASN  21          1HB       ASN  21 -12.488  -2.700  14.292
  150   1HD2  ASN  21           HD2      ASN  21 -14.931  -1.049  14.882
  151    H    GLN  22           H        GLN  22 -14.550  -5.910  16.183
  152    HA   GLN  22           HA       GLN  22 -14.882  -8.253  15.948
  153   1HB   GLN  22          1HB       GLN  22 -13.496  -7.797  13.279
  154   2HB   GLN  22          2HB       GLN  22 -13.558  -9.396  13.976
  155   1HG   GLN  22          1HG       GLN  22 -16.008  -9.390  13.989
  156   2HG   GLN  22          2HG       GLN  22 -16.059  -7.694  13.527
  157   1HE2  GLN  22          2HE2      GLN  22 -17.247  -9.935  12.238
  158   2HE2  GLN  22          1HE2      GLN  22 -16.737  -9.781  10.567
  159    H    THR  23           H        THR  23 -11.598  -6.561  16.663
  160    HA   THR  23           HA       THR  23 -11.718  -6.936  13.911
  161    HB   THR  23           HB       THR  23  -9.791  -5.652  13.830
  162    HG1  THR  23           HG1      THR  23  -8.031  -6.505  14.360
  163   1HG2  THR  23          1HG2      THR  23 -10.746  -4.408  15.690
  164   2HG2  THR  23          2HG2      THR  23 -10.279  -5.649  16.856
  165   3HG2  THR  23          3HG2      THR  23  -9.053  -4.658  16.083
  166    H    SER  24           H        SER  24 -10.650  -8.628  12.386
  167    HA   SER  24           HA       SER  24  -8.260  -9.345  13.889
  168   1HB   SER  24          2HB       SER  24  -9.306 -10.376  11.481
  169   2HB   SER  24          1HB       SER  24  -7.988  -9.329  10.944
  170    HG   SER  24           HG       SER  24  -6.634 -10.672  11.684
  171    H    TYR  25           H        TYR  25  -9.504  -6.982  12.206
  172    HA   TYR  25           HA       TYR  25  -8.902  -5.134  10.944
  173   1HB   TYR  25          2HB       TYR  25  -7.391  -3.532  12.007
  174   2HB   TYR  25          1HB       TYR  25  -8.368  -4.351  13.230
  175    HD1  TYR  25           HD1      TYR  25  -7.265  -5.244  15.144
  176    HD2  TYR  25           HD2      TYR  25  -4.997  -4.586  11.474
  177    HE1  TYR  25           HE1      TYR  25  -5.160  -5.973  16.312
  178    HE2  TYR  25           HE2      TYR  25  -2.893  -5.292  12.649
  179    HH   TYR  25           HH       TYR  25  -2.150  -6.514  14.601
  180    H    LEU  26           H        LEU  26  -7.896  -4.449   9.488
  181    HA   LEU  26           HA       LEU  26  -6.151  -6.488   8.326
  182   1HB   LEU  26          2HB       LEU  26  -7.747  -6.666   6.726
  183   2HB   LEU  26          1HB       LEU  26  -8.729  -5.773   7.887
  184    HG   LEU  26           HG       LEU  26  -7.603  -3.694   6.573
  185   1HD1  LEU  26          1HD2      LEU  26  -6.723  -5.801   4.977
  186   2HD1  LEU  26          2HD2      LEU  26  -8.221  -5.345   4.174
  187   3HD1  LEU  26          3HD2      LEU  26  -6.956  -4.144   4.404
  188   1HD2  LEU  26          1HD1      LEU  26  -9.748  -3.340   5.673
  189   2HD2  LEU  26          2HD1      LEU  26  -9.974  -5.038   5.268
  190   3HD2  LEU  26          3HD1      LEU  26 -10.111  -4.510   6.942
  191    H    CYS  27           H        CYS  27  -5.563  -5.037   5.753
  192    HA   CYS  27           HA       CYS  27  -5.004  -2.353   6.820
  193   1HB   CYS  27          1HB       CYS  27  -2.850  -4.128   5.705
  194   2HB   CYS  27          2HB       CYS  27  -2.689  -2.366   5.667
  195    H    VAL  28           H        VAL  28  -5.221  -0.820   5.626
  196    HA   VAL  28           HA       VAL  28  -6.601  -1.042   3.160
  197    HB   VAL  28           HB       VAL  28  -5.129   1.493   3.387
  198   1HG1  VAL  28          1HG2      VAL  28  -6.935   1.893   2.092
  199   2HG1  VAL  28          2HG2      VAL  28  -7.845   0.539   2.763
  200   3HG1  VAL  28          3HG2      VAL  28  -7.816   2.087   3.608
  201   1HG2  VAL  28          1HG1      VAL  28  -7.076   1.837   5.443
  202   2HG2  VAL  28          2HG1      VAL  28  -5.984   0.583   5.993
  203   3HG2  VAL  28          3HG1      VAL  28  -5.350   2.131   5.477
  204    H    CYS  29           H        CYS  29  -5.921  -0.395   1.129
  205    HA   CYS  29           HA       CYS  29  -3.014  -0.631   0.728
  206   1HB   CYS  29          1HB       CYS  29  -5.443  -1.619  -0.736
  207   2HB   CYS  29          2HB       CYS  29  -3.857  -1.602  -1.518
  208    H    ALA  30           H        ALA  30  -5.675   0.585  -0.452
  209    HA   ALA  30           HA       ALA  30  -6.440   2.511  -1.673
  210   1HB   ALA  30          1HB       ALA  30  -5.297   4.327  -0.704
  211   2HB   ALA  30          2HB       ALA  30  -4.284   3.103   0.065
  212   3HB   ALA  30          3HB       ALA  30  -3.769   3.850  -1.447
  213    H    GLU  31           H        GLU  31  -6.732   3.212  -3.658
  214    HA   GLU  31           HA       GLU  31  -6.532   0.831  -4.632
  215   1HB   GLU  31          2HB       GLU  31  -8.308   1.637  -5.681
  216   2HB   GLU  31          1HB       GLU  31  -7.805   3.259  -5.343
  217   1HG   GLU  31          1HG       GLU  31  -6.413   3.245  -7.422
  218   2HG   GLU  31          2HG       GLU  31  -7.080   1.657  -7.835
  219    H    GLY  32           H        GLY  32  -4.558   3.186  -5.411
  220   1HA   GLY  32          2HA       GLY  32  -2.737   2.561  -7.484
  221   2HA   GLY  32          1HA       GLY  32  -2.200   3.023  -5.841
  222    H    PHE  33           H        PHE  33  -3.715   0.582  -4.880
  223    HA   PHE  33           HA       PHE  33  -1.341  -1.195  -4.859
  224   1HB   PHE  33          2HB       PHE  33  -2.397   0.742  -2.780
  225   2HB   PHE  33          1HB       PHE  33  -1.668  -0.766  -2.225
  226    HD1  PHE  33           HD1      PHE  33   0.761  -0.955  -2.061
  227    HD2  PHE  33           HD2      PHE  33  -1.048   2.247  -4.409
  228    HE1  PHE  33           HE1      PHE  33   2.985   0.187  -2.209
  229    HE2  PHE  33           HE2      PHE  33   1.199   3.380  -4.583
  230    HZ   PHE  33           HZ       PHE  33   3.214   2.346  -3.483
  231    H    ALA  34           H        ALA  34  -1.981  -3.304  -4.448
  232    HA   ALA  34           HA       ALA  34  -4.015  -4.094  -2.812
  233   1HB   ALA  34          1HB       ALA  34  -5.095  -2.735  -5.225
  234   2HB   ALA  34          2HB       ALA  34  -5.791  -4.341  -5.013
  235   3HB   ALA  34          3HB       ALA  34  -5.938  -3.136  -3.729
  236    HA   PRO  35           HA       PRO  35  -1.732  -5.992  -2.635
  237   1HB   PRO  35          1HB       PRO  35  -2.385  -8.542  -1.550
  238   2HB   PRO  35          2HB       PRO  35  -2.534  -6.998  -0.715
  239   1HG   PRO  35          1HG       PRO  35  -4.679  -8.701  -1.721
  240   2HG   PRO  35          2HG       PRO  35  -4.817  -7.234  -0.761
  241   1HD   PRO  35          2HD       PRO  35  -5.325  -7.543  -3.618
  242   2HD   PRO  35          1HD       PRO  35  -5.500  -6.074  -2.645
  243    H    ILE  36           H        ILE  36  -0.137  -6.514  -4.139
  244    HA   ILE  36           HA       ILE  36   1.040  -8.588  -4.965
  245    HB   ILE  36           HB       ILE  36   2.533  -7.285  -3.892
  246   1HG1  ILE  36          1HG1      ILE  36   2.827  -9.852  -3.117
  247   2HG1  ILE  36          2HG1      ILE  36   3.956  -8.560  -2.844
  248   1HG2  ILE  36          1HG2      ILE  36   1.003  -7.387  -1.281
  249   2HG2  ILE  36          2HG2      ILE  36   2.396  -6.373  -1.643
  250   3HG2  ILE  36          3HG2      ILE  36   0.868  -6.091  -2.472
  251   1HD1  ILE  36          1HD1      ILE  36   3.435  -9.817  -0.758
  252   2HD1  ILE  36          2HD1      ILE  36   2.991  -8.098  -0.650
  253   3HD1  ILE  36          3HD1      ILE  36   1.734  -9.311  -0.918
  254    HA   PRO  37           HA       PRO  37  -0.095 -12.719  -3.716
  255   1HB   PRO  37          1HB       PRO  37   2.840 -12.913  -3.148
  256   2HB   PRO  37          2HB       PRO  37   1.842 -13.978  -4.120
  257   1HG   PRO  37          1HG       PRO  37   3.574 -11.982  -5.127
  258   2HG   PRO  37          2HG       PRO  37   2.263 -12.707  -6.053
  259   1HD   PRO  37          1HD       PRO  37   2.437  -9.984  -5.054
  260   2HD   PRO  37          2HD       PRO  37   1.130 -10.692  -6.013
  261    H    HIS  38           H        HIS  38   1.437 -14.199  -1.926
  262    HA   HIS  38           HA       HIS  38  -0.112 -14.695  -0.116
  263   1HB   HIS  38          1HB       HIS  38   1.395 -14.729   1.799
  264   2HB   HIS  38          2HB       HIS  38   2.128 -15.339   0.313
  265    HD1  HIS  38           HD1      HIS  38   3.882 -14.313   2.834
  266    HD2  HIS  38           HD2      HIS  38   2.879 -12.158  -0.652
  267    HE1  HIS  38           HE1      HIS  38   5.510 -12.323   2.706
  268    H    GLU  39           H        GLU  39   1.292 -12.546   1.780
  269    HA   GLU  39           HA       GLU  39  -0.311 -13.136   3.632
  270   1HB   GLU  39          2HB       GLU  39   0.675 -10.304   3.220
  271   2HB   GLU  39          1HB       GLU  39   0.077 -10.862   4.791
  272   1HG   GLU  39          1HG       GLU  39   2.202 -12.437   3.314
  273   2HG   GLU  39          2HG       GLU  39   2.686 -11.042   4.255
  274    HA   PRO  40           HA       PRO  40  -3.077  -9.335   3.280
  275   1HB   PRO  40          1HB       PRO  40  -3.475  -8.772   6.006
  276   2HB   PRO  40          2HB       PRO  40  -4.649  -9.602   4.993
  277   1HG   PRO  40          1HG       PRO  40  -3.013 -10.714   7.165
  278   2HG   PRO  40          2HG       PRO  40  -4.342 -11.479   6.302
  279   1HD   PRO  40          1HD       PRO  40  -1.450 -11.896   5.900
  280   2HD   PRO  40          2HD       PRO  40  -2.786 -12.779   5.145
  281    H    HIS  41           H        HIS  41  -1.430  -7.605   2.928
  282    HA   HIS  41           HA       HIS  41  -1.946  -5.999   5.168
  283   1HB   HIS  41          2HB       HIS  41   0.389  -5.568   5.874
  284   2HB   HIS  41          1HB       HIS  41  -0.141  -7.162   6.441
  285    HD1  HIS  41           HD1      HIS  41   1.033  -9.344   4.971
  286    HD2  HIS  41           HD2      HIS  41   2.311  -5.416   4.136
  287    HE1  HIS  41           HE1      HIS  41   2.771  -9.469   3.061
  288    H    ARG  42           H        ARG  42  -1.831  -5.153   2.295
  289    HA   ARG  42           HA       ARG  42   0.899  -6.311   2.127
  290   1HB   ARG  42          2HB       ARG  42  -1.669  -7.273   1.270
  291   2HB   ARG  42          1HB       ARG  42  -0.637  -7.253  -0.167
  292   1HG   ARG  42          2HG       ARG  42   1.147  -8.284   0.882
  293   2HG   ARG  42          1HG       ARG  42   0.162  -8.403   2.360
  294   1HD   ARG  42          2HD       ARG  42  -0.791  -9.235  -0.467
  295   2HD   ARG  42          1HD       ARG  42  -0.074 -10.389   0.635
  296    HE   ARG  42           HE       ARG  42  -1.998  -9.702   2.184
  297   1HH1  ARG  42          2HH1      ARG  42  -2.265 -11.325  -0.674
  298   2HH1  ARG  42          1HH1      ARG  42  -3.689 -10.582  -1.324
  299   1HH2  ARG  42          2HH2      ARG  42  -4.536  -9.116   1.550
  300   2HH2  ARG  42          1HH2      ARG  42  -4.482  -8.476  -0.059
  301    H    CYS  43           H        CYS  43  -1.236  -5.082   0.213
  302    HA   CYS  43           HA       CYS  43  -0.842  -4.249  -2.287
  303   1HB   CYS  43          2HB       CYS  43  -0.630  -1.764  -0.912
  304   2HB   CYS  43          1HB       CYS  43  -2.102  -2.578  -1.537
  305    H    GLN  44           H        GLN  44   0.783  -4.282  -3.502
  306    HA   GLN  44           HA       GLN  44   2.997  -2.596  -2.677
  307   1HB   GLN  44          1HB       GLN  44   3.757  -4.736  -1.807
  308   2HB   GLN  44          2HB       GLN  44   3.282  -5.557  -3.266
  309   1HG   GLN  44          1HG       GLN  44   5.078  -4.445  -4.552
  310   2HG   GLN  44          2HG       GLN  44   5.502  -3.454  -3.160
  311   1HE2  GLN  44          1HE2      GLN  44   5.874  -4.844  -1.056
  312   2HE2  GLN  44          2HE2      GLN  44   6.225  -6.555  -1.223
  313    H    MET  45           H        MET  45   3.856  -1.563  -4.422
  314    HA   MET  45           HA       MET  45   1.275  -0.976  -4.860
  315   1HB   MET  45          1HB       MET  45   1.940   1.008  -5.919
  316   2HB   MET  45          2HB       MET  45   3.500   0.474  -5.338
  317   1HG   MET  45          1HG       MET  45   4.048   0.853  -7.569
  318   2HG   MET  45          2HG       MET  45   3.541  -0.823  -7.701
  319   1HE   MET  45          1HE       MET  45   1.943  -0.603 -10.649
  320   2HE   MET  45          2HE       MET  45   2.927   0.862 -10.754
  321   3HE   MET  45          3HE       MET  45   3.533  -0.557  -9.877
  322    H    PHE  46           H        PHE  46  -0.353  -0.975  -6.468
  323    HA   PHE  46           HA       PHE  46  -0.191  -3.678  -7.113
  324   1HB   PHE  46          1HB       PHE  46  -2.387  -3.166  -6.460
  325   2HB   PHE  46          2HB       PHE  46  -2.315  -1.569  -7.140
  326    HD1  PHE  46           HD1      PHE  46  -2.262  -5.125  -8.534
  327    HD2  PHE  46           HD2      PHE  46  -3.966  -1.112  -8.701
  328    HE1  PHE  46           HE1      PHE  46  -3.752  -5.841 -10.421
  329    HE2  PHE  46           HE2      PHE  46  -5.458  -1.828 -10.598
  330    HZ   PHE  46           HZ       PHE  46  -5.347  -4.191 -11.464
  331    H    CYS  47           H        CYS  47   0.534  -1.116  -8.910
  332    HA   CYS  47           HA       CYS  47  -1.434  -1.664 -10.911
  333   1HB   CYS  47          2HB       CYS  47   0.381   0.614 -10.457
  334   2HB   CYS  47          1HB       CYS  47   0.135   0.342 -12.160
  335    H    ASN  48           H        ASN  48  -1.448  -2.712 -12.865
  336    HA   ASN  48           HA       ASN  48   1.074  -3.790 -13.766
  337   1HB   ASN  48          2HB       ASN  48   0.748  -6.085 -12.770
  338   2HB   ASN  48          1HB       ASN  48   0.883  -4.870 -11.503
  339   1HD2  ASN  48           HD2      ASN  48  -1.365  -5.586  -9.769
  340    H    GLN  49           H        GLN  49  -1.037  -2.719 -15.299
  341    HA   GLN  49           HA       GLN  49  -0.395  -4.840 -17.093
  342   1HB   GLN  49          2HB       GLN  49  -2.380  -5.977 -16.369
  343   2HB   GLN  49          1HB       GLN  49  -3.286  -4.491 -16.212
  344   1HG   GLN  49          2HG       GLN  49  -3.374  -4.234 -18.682
  345   2HG   GLN  49          1HG       GLN  49  -2.366  -5.663 -18.888
  346   1HE2  GLN  49          2HE2      GLN  49  -5.494  -4.409 -18.411
  347   2HE2  GLN  49          1HE2      GLN  49  -6.302  -5.926 -18.760
  348    H    THR  50           H        THR  50   0.037  -3.313 -19.330
  349    HA   THR  50           HA       THR  50   0.997  -2.158 -16.959
  350    HB   THR  50           HB       THR  50   2.779  -1.255 -18.305
  351    HG1  THR  50           HG1      THR  50   2.125  -1.319 -20.708
  352   1HG2  THR  50          1HG2      THR  50   1.894  -3.906 -18.808
  353   2HG2  THR  50          2HG2      THR  50   3.494  -3.250 -19.157
  354   3HG2  THR  50          3HG2      THR  50   2.245  -3.234 -20.400
  355    H    ALA  51           H        ALA  51  -1.712  -1.110 -17.095
  356    HA   ALA  51           HA       ALA  51  -1.681   0.112 -15.148
  357   1HB   ALA  51          1HB       ALA  51   0.637  -0.187 -14.012
  358   2HB   ALA  51          2HB       ALA  51   1.249  -0.771 -15.552
  359   3HB   ALA  51          3HB       ALA  51   0.001  -1.680 -14.700
  360    H    CYS  52           H        CYS  52   0.305   1.413 -13.861
  361    HA   CYS  52           HA       CYS  52  -1.012   3.782 -14.947
  362   1HB   CYS  52          2HB       CYS  52  -0.412   3.178 -12.048
  363   2HB   CYS  52          1HB       CYS  52  -1.732   4.134 -12.707
  364    HA   PRO  53           HA       PRO  53   0.736   6.474 -15.319
  365   1HB   PRO  53          2HB       PRO  53   0.759   8.712 -13.568
  366   2HB   PRO  53          1HB       PRO  53  -0.729   7.915 -14.067
  367   1HG   PRO  53          2HG       PRO  53   0.607   7.818 -11.431
  368   2HG   PRO  53          1HG       PRO  53  -1.015   7.290 -11.853
  369   1HD   PRO  53          2HD       PRO  53   1.383   5.640 -11.505
  370   2HD   PRO  53          1HD       PRO  53  -0.280   5.124 -11.767
  371    H    ALA  54           H        ALA  54   3.329   5.606 -13.579
  372    HA   ALA  54           HA       ALA  54   4.642   6.937 -12.042
  373   1HB   ALA  54          1HB       ALA  54   6.428   7.710 -13.370
  374   2HB   ALA  54          2HB       ALA  54   5.383   8.770 -14.314
  375   3HB   ALA  54          3HB       ALA  54   5.492   7.053 -14.713
  376    H    ASP  55           H        ASP  55   5.520   9.649 -12.589
  377    HA   ASP  55           HA       ASP  55   5.015  11.588 -11.480
  378   1HB   ASP  55          1HB       ASP  55   4.519  12.263 -13.685
  379   2HB   ASP  55          2HB       ASP  55   3.166  11.156 -13.816
  380    H    CYS  56           H        CYS  56   3.935   9.224 -10.042
  381    HA   CYS  56           HA       CYS  56   2.125   9.761  -8.336
  382   1HB   CYS  56          2HB       CYS  56   4.832  10.075  -7.212
  383   2HB   CYS  56          1HB       CYS  56   3.641   8.775  -6.990
  384    H    ASP  57           H        ASP  57   3.474  11.005  -6.142
  385    HA   ASP  57           HA       ASP  57   2.205  13.357  -5.950
  386   1HB   ASP  57          2HB       ASP  57   3.843  12.127  -4.268
  387   2HB   ASP  57          1HB       ASP  57   5.079  13.194  -4.920
  388    HA   PRO  58           HA       PRO  58   4.328  16.621  -8.277
  389   1HB   PRO  58          2HB       PRO  58   3.721  18.412  -6.058
  390   2HB   PRO  58          1HB       PRO  58   3.039  18.425  -7.677
  391   1HG   PRO  58          2HG       PRO  58   1.762  17.528  -5.241
  392   2HG   PRO  58          1HG       PRO  58   1.080  17.539  -6.862
  393   1HD   PRO  58          2HD       PRO  58   1.952  15.235  -5.343
  394   2HD   PRO  58          1HD       PRO  58   1.303  15.242  -6.990
  395    H    ASN  59           H        ASN  59   4.564  16.587  -4.609
  396    HA   ASN  59           HA       ASN  59   6.362  18.688  -5.071
  397   1HB   ASN  59          1HB       ASN  59   4.803  17.864  -2.965
  398   2HB   ASN  59          2HB       ASN  59   6.407  17.407  -2.360
  399   1HD2  ASN  59          1HD2      ASN  59   4.299  19.498  -1.861
  400   2HD2  ASN  59          2HD2      ASN  59   5.169  21.016  -1.713
  401    H    THR  60           H        THR  60   6.736  15.897  -3.492
  402    HA   THR  60           HA       THR  60   9.655  16.201  -3.533
  403    HB   THR  60           HB       THR  60   9.298  16.083  -1.303
  404    HG1  THR  60           HG1      THR  60  10.221  14.369  -0.754
  405   1HG2  THR  60          1HG2      THR  60   7.469  14.317  -0.464
  406   2HG2  THR  60          2HG2      THR  60   6.899  14.484  -2.139
  407   3HG2  THR  60          3HG2      THR  60   6.985  15.910  -1.101
  408    H    GLN  61           H        GLN  61   8.257  14.503  -5.681
  409    HA   GLN  61           HA       GLN  61   6.952  12.539  -4.560
  410   1HB   GLN  61          1HB       GLN  61   7.027  11.171  -6.566
  411   2HB   GLN  61          2HB       GLN  61   7.231  12.827  -7.082
  412   1HG   GLN  61          2HG       GLN  61   9.874  12.068  -6.659
  413   2HG   GLN  61          1HG       GLN  61   9.155  10.566  -7.231
  414   1HE2  GLN  61          2HE2      GLN  61   8.144  10.659  -9.634
  415   2HE2  GLN  61          1HE2      GLN  61   7.365  12.223  -9.779
  416    H    ALA  62           H        ALA  62   9.048  12.530  -2.665
  417    HA   ALA  62           HA       ALA  62   9.993  10.093  -2.266
  418   1HB   ALA  62          1HB       ALA  62   8.841  12.045  -0.608
  419   2HB   ALA  62          2HB       ALA  62   9.672  10.593  -0.048
  420   3HB   ALA  62          3HB       ALA  62   7.916  10.594  -0.218
  421    H    SER  63           H        SER  63   8.821   8.803  -4.116
  422    HA   SER  63           HA       SER  63   6.294   7.689  -3.584
  423   1HB   SER  63          2HB       SER  63   5.830  10.136  -5.321
  424   2HB   SER  63          1HB       SER  63   4.700   9.321  -4.247
  425    HG   SER  63           HG       SER  63   5.601  10.295  -2.556
  426    H    CYS  64           H        CYS  64   8.451   6.531  -5.216
  427    HA   CYS  64           HA       CYS  64   5.849   5.496  -5.563
  428   1HB   CYS  64          2HB       CYS  64   7.221   6.500  -8.026
  429   2HB   CYS  64          1HB       CYS  64   6.611   4.866  -8.174
  430    H    GLU  65           H        GLU  65   5.976   3.021  -6.420
  431    HA   GLU  65           HA       GLU  65   8.004   2.426  -4.374
  432   1HB   GLU  65          1HB       GLU  65   5.530   3.511  -3.835
  433   2HB   GLU  65          2HB       GLU  65   5.124   1.823  -3.768
  434   1HG   GLU  65          2HG       GLU  65   6.588   1.381  -1.929
  435   2HG   GLU  65          1HG       GLU  65   7.532   2.841  -2.209
  436    H    CYS  66           H        CYS  66   6.905   1.321  -7.023
  437    HA   CYS  66           HA       CYS  66   5.208  -0.692  -6.617
  438   1HB   CYS  66          1HB       CYS  66   6.968  -1.067  -8.959
  439   2HB   CYS  66          2HB       CYS  66   5.266  -0.601  -8.897
  440    HA   PRO  67           HA       PRO  67   7.237  -4.438  -5.783
  441   1HB   PRO  67          1HB       PRO  67   6.771  -6.011  -8.147
  442   2HB   PRO  67          2HB       PRO  67   5.744  -5.941  -6.699
  443   1HG   PRO  67          2HG       PRO  67   5.200  -4.830  -9.329
  444   2HG   PRO  67          1HG       PRO  67   4.154  -4.823  -7.915
  445   1HD   PRO  67          2HD       PRO  67   5.687  -2.600  -9.021
  446   2HD   PRO  67          1HD       PRO  67   4.576  -2.555  -7.643
  447    H    GLU  68           H        GLU  68   8.957  -6.306  -6.880
  448    HA   GLU  68           HA       GLU  68  10.736  -5.532  -5.472
  449   1HB   GLU  68          2HB       GLU  68  11.537  -5.414  -8.422
  450   2HB   GLU  68          1HB       GLU  68  12.675  -5.581  -7.105
  451   1HG   GLU  68          2HG       GLU  68  10.401  -7.562  -7.211
  452   2HG   GLU  68          1HG       GLU  68  11.685  -7.734  -8.401
  453    H    GLY  69           H        GLY  69  12.967  -3.680  -5.981
  454   1HA   GLY  69          1HA       GLY  69  11.908  -1.570  -7.645
  455   2HA   GLY  69          2HA       GLY  69  13.622  -2.077  -7.524
  456    H    TYR  70           H        TYR  70  10.455  -3.054  -8.764
  457    HA   TYR  70           HA       TYR  70  10.628  -4.919 -10.502
  458   1HB   TYR  70          2HB       TYR  70   8.816  -3.122 -10.512
  459   2HB   TYR  70          1HB       TYR  70   9.841  -2.150 -11.552
  460    HD1  TYR  70           HD1      TYR  70   8.948  -5.844 -11.465
  461    HD2  TYR  70           HD2      TYR  70   9.075  -2.144 -13.771
  462    HE1  TYR  70           HE1      TYR  70   8.075  -7.072 -13.482
  463    HE2  TYR  70           HE2      TYR  70   8.203  -3.371 -15.789
  464    HH   TYR  70           HH       TYR  70   7.138  -6.763 -15.605
  465    H    ILE  71           H        ILE  71  11.268  -2.637 -13.212
  466    HA   ILE  71           HA       ILE  71  13.292  -1.679 -11.334
  467    HB   ILE  71           HB       ILE  71  14.227  -3.213 -13.284
  468   1HG1  ILE  71          1HG1      ILE  71  15.477  -0.533 -12.581
  469   2HG1  ILE  71          2HG1      ILE  71  15.645  -2.016 -11.673
  470   1HG2  ILE  71          1HG2      ILE  71  14.746  -2.089 -15.369
  471   2HG2  ILE  71          2HG2      ILE  71  14.125  -0.553 -14.762
  472   3HG2  ILE  71          3HG2      ILE  71  13.020  -1.892 -15.076
  473   1HD1  ILE  71          1HD1      ILE  71  16.889  -3.086 -13.496
  474   2HD1  ILE  71          2HD1      ILE  71  17.618  -1.505 -13.211
  475   3HD1  ILE  71          3HD1      ILE  71  16.546  -1.745 -14.589
  476    H    LEU  72           H        LEU  72  13.134   0.394 -11.051
  477    HA   LEU  72           HA       LEU  72  10.784   1.503 -11.489
  478   1HB   LEU  72          2HB       LEU  72  13.006   2.447 -10.261
  479   2HB   LEU  72          1HB       LEU  72  13.163   3.369 -11.734
  480    HG   LEU  72           HG       LEU  72  11.722   4.091  -9.491
  481   1HD1  LEU  72          1HD2      LEU  72  12.842   5.621 -10.999
  482   2HD1  LEU  72          2HD2      LEU  72  11.125   6.050 -10.987
  483   3HD1  LEU  72          3HD2      LEU  72  11.805   5.145 -12.344
  484   1HD2  LEU  72          1HD1      LEU  72   9.839   3.450 -11.787
  485   2HD2  LEU  72          2HD1      LEU  72   9.426   4.393 -10.352
  486   3HD2  LEU  72          3HD1      LEU  72   9.838   2.676 -10.194
  487    H    ASP  73           H        ASP  73   9.556   2.402 -13.115
  488    HA   ASP  73           HA       ASP  73  10.950   2.213 -15.696
  489   1HB   ASP  73          2HB       ASP  73   9.900  -0.068 -14.395
  490   2HB   ASP  73          1HB       ASP  73   8.612   0.369 -15.509
  491    H    ASP  74           H        ASP  74   8.382   1.565 -17.138
  492    HA   ASP  74           HA       ASP  74   9.332   3.742 -18.298
  493   1HB   ASP  74          2HB       ASP  74   6.422   2.796 -18.553
  494   2HB   ASP  74          1HB       ASP  74   7.177   3.910 -19.687
  495    H    GLY  75           H        GLY  75   9.493   5.060 -16.153
  496   1HA   GLY  75          1HA       GLY  75   9.102   7.482 -17.144
  497   2HA   GLY  75          2HA       GLY  75   7.479   7.182 -16.492
  498    H    PHE  76           H        PHE  76   8.154   5.823 -14.531
  499    HA   PHE  76           HA       PHE  76  10.061   6.137 -12.669
  500   1HB   PHE  76          2HB       PHE  76   8.701   8.732 -12.984
  501   2HB   PHE  76          1HB       PHE  76   8.607   8.207 -11.314
  502    HD1  PHE  76           HD1      PHE  76  11.369   7.490 -13.791
  503    HD2  PHE  76           HD2      PHE  76  10.149   9.661 -10.211
  504    HE1  PHE  76           HE1      PHE  76  13.752   8.204 -13.414
  505    HE2  PHE  76           HE2      PHE  76  12.533  10.375  -9.831
  506    HZ   PHE  76           HZ       PHE  76  14.336   9.644 -11.433
  507    H    ILE  77           H        ILE  77   8.128   4.354 -13.148
  508    HA   ILE  77           HA       ILE  77   5.829   5.667 -12.976
  509    HB   ILE  77           HB       ILE  77   6.336   3.823 -14.431
  510   1HG1  ILE  77          1HG1      ILE  77   3.697   3.502 -13.024
  511   2HG1  ILE  77          2HG1      ILE  77   4.050   4.503 -14.426
  512   1HG2  ILE  77          1HG2      ILE  77   5.310   1.736 -12.727
  513   2HG2  ILE  77          2HG2      ILE  77   6.762   2.500 -12.034
  514   3HG2  ILE  77          3HG2      ILE  77   6.824   1.798 -13.676
  515   1HD1  ILE  77          1HD1      ILE  77   3.120   1.881 -14.521
  516   2HD1  ILE  77          2HD1      ILE  77   4.849   1.675 -14.802
  517   3HD1  ILE  77          3HD1      ILE  77   3.902   2.723 -15.859
  518    H    CYS  78           H        CYS  78   3.773   5.349 -11.733
  519    HA   CYS  78           HA       CYS  78   2.717   3.333 -10.879
  520   1HB   CYS  78          2HB       CYS  78   4.853   3.536  -8.684
  521   2HB   CYS  78          1HB       CYS  78   3.518   2.424  -8.666
  522    H    THR  79           H        THR  79   2.515   3.834  -7.559
  523    HA   THR  79           HA       THR  79   0.383   2.806  -8.358
  524    HB   THR  79           HB       THR  79   0.011   3.525  -6.175
  525    HG1  THR  79           HG1      THR  79  -1.876   3.828  -7.186
  526   1HG2  THR  79          1HG2      THR  79   0.724   6.354  -7.104
  527   2HG2  THR  79          2HG2      THR  79   1.694   5.315  -6.061
  528   3HG2  THR  79          3HG2      THR  79   0.166   5.974  -5.475
  529    H    ASP  80           H        ASP  80  -0.985   2.985 -10.433
  530    HA   ASP  80           HA       ASP  80  -2.754   4.390  -8.704
  531   1HB   ASP  80          1HB       ASP  80  -2.179   5.570 -11.408
  532   2HB   ASP  80          2HB       ASP  80  -3.872   5.601 -10.875
  533    H    ILE  81           H        ILE  81  -3.585   3.037 -12.273
  534    HA   ILE  81           HA       ILE  81  -5.205   4.880 -12.173
  535    HB   ILE  81           HB       ILE  81  -5.779   2.724 -13.321
  536   1HG1  ILE  81          2HG1      ILE  81  -8.225   3.890 -11.962
  537   2HG1  ILE  81          1HG1      ILE  81  -7.336   4.752 -13.196
  538   1HG2  ILE  81          1HG2      ILE  81  -5.810   1.498 -10.954
  539   2HG2  ILE  81          2HG2      ILE  81  -6.823   0.922 -12.278
  540   3HG2  ILE  81          3HG2      ILE  81  -7.520   1.919 -10.999
  541   1HD1  ILE  81          1HD1      ILE  81  -7.692   2.311 -14.455
  542   2HD1  ILE  81          2HD1      ILE  81  -8.786   3.683 -14.641
  543   3HD1  ILE  81          3HD1      ILE  81  -9.160   2.408 -13.481
  544    H    ASP  82           H        ASP  82  -5.251   6.150  -9.948
  545    HA   ASP  82           HA       ASP  82  -8.114   5.585 -10.303
  546   1HB   ASP  82          1HB       ASP  82  -7.292   5.455  -7.786
  547   2HB   ASP  82          2HB       ASP  82  -7.176   7.209  -7.892
  548    H    GLU  83           H        GLU  83  -7.778   6.697 -12.243
  549    HA   GLU  83           HA       GLU  83  -6.711   9.353 -12.213
  550   1HB   GLU  83          1HB       GLU  83  -8.520   8.035 -14.309
  551   2HB   GLU  83          2HB       GLU  83  -7.535   9.453 -14.578
  552   1HG   GLU  83          1HG       GLU  83  -5.942   7.193 -13.526
  553   2HG   GLU  83          2HG       GLU  83  -6.744   6.800 -15.043
  554    H1   NAG 121           H1       ASN  21 -13.749  -1.129  12.219
  555    H2   NAG 121           H2       ASN  21 -16.440  -1.379  12.286
  556    H3   NAG 121           H3       ASN  21 -16.250   1.580  11.792
  557    H4   NAG 121           H4       ASN  21 -16.715   0.397  14.563
  558    H5   NAG 121           H5       ASN  21 -14.542   2.359  14.173
  559   1H6   NAG 121          1H6       ASN  21 -15.218   0.100  15.956
  560   2H6   NAG 121          2H6       ASN  21 -14.271   1.550  16.290
  561   1H8   NAG 121          1H8       ASN  21 -14.863  -3.574   9.659
  562   2H8   NAG 121          2H8       ASN  21 -13.960  -2.206   8.986
  563   3H8   NAG 121          3H8       ASN  21 -13.968  -2.486  10.740
  564    HN2  NAG 121           HN2      ASN  21 -15.220   0.298  10.186
  565    HO4  NAG 121           HO4      ASN  21 -17.303   2.681  13.375
  566    HO3  NAG 121           HO3      ASN  21 -18.231   1.270  11.676
  567    HO6  NAG 121           H6       ASN  21 -13.153  -0.285  14.597
  568    H1   NAG 148           H1       ASN  48   0.586  -7.334 -10.392
  569    H2   NAG 148           H2       ASN  48  -2.034  -7.921  -8.914
  570    H3   NAG 148           H3       ASN  48   0.565  -9.455  -8.563
  571    H4   NAG 148           H4       ASN  48  -1.831 -10.503 -10.107
  572    H5   NAG 148           H5       ASN  48   0.761  -9.434 -11.302
  573   1H6   NAG 148          1H6       ASN  48  -1.137 -11.322 -12.309
  574   2H6   NAG 148          2H6       ASN  48   0.166 -10.537 -13.204
  575   1H8   NAG 148          1H8       ASN  48  -1.606  -4.980  -6.667
  576   2H8   NAG 148          2H8       ASN  48  -1.360  -5.716  -5.103
  577   3H8   NAG 148          3H8       ASN  48   0.047  -5.372  -6.113
  578    HN2  NAG 148           HN2      ASN  48   0.439  -6.652  -8.062
  579    HO4  NAG 148           HO4      ASN  48   0.810 -11.345 -10.177
  580    HO3  NAG 148           HO3      ASN  48  -1.996 -10.335  -8.028
  581    HO6  NAG 148           H6       ASN  48  -2.384  -9.466 -12.756
  Start of MODEL   11
    1   1H    HIS   1          1H        HIS   1   7.222 -13.247  23.643
    2   2H    HIS   1          2H        HIS   1   5.695 -13.986  23.718
    3   3H    HIS   1          3H        HIS   1   6.950 -14.721  22.844
    4    HA   HIS   1           HA       HIS   1   5.627 -12.171  22.251
    5   1HB   HIS   1          1HB       HIS   1   6.958 -12.342  20.080
    6   2HB   HIS   1          2HB       HIS   1   7.903 -11.958  21.501
    7    HD2  HIS   1           HD2      HIS   1   9.356 -14.082  22.575
    8    HE1  HIS   1           HE1      HIS   1   9.328 -16.467  19.004
    9    HE2  HIS   1           HE2      HIS   1  10.443 -16.178  21.306
   10    H    MET   2           H        MET   2   3.497 -14.175  22.348
   11    HA   MET   2           HA       MET   2   3.603 -12.072  20.319
   12   1HB   MET   2          1HB       MET   2   1.489 -13.049  19.205
   13   2HB   MET   2          2HB       MET   2   3.004 -13.832  18.820
   14   1HG   MET   2          1HG       MET   2   1.652 -14.969  21.216
   15   2HG   MET   2          2HG       MET   2   0.736 -15.146  19.729
   16   1HE   MET   2          1HE       MET   2   1.684 -15.787  17.582
   17   2HE   MET   2          2HE       MET   2   2.869 -17.084  17.349
   18   3HE   MET   2          3HE       MET   2   3.413 -15.407  17.516
   19    H    GLU   3           H        GLU   3   0.567 -11.910  20.163
   20    HA   GLU   3           HA       GLU   3   2.003  -9.756  21.456
   21   1HB   GLU   3          1HB       GLU   3   0.306  -8.347  19.992
   22   2HB   GLU   3          2HB       GLU   3   1.548  -9.296  19.179
   23   1HG   GLU   3          1HG       GLU   3  -0.083 -11.136  18.788
   24   2HG   GLU   3          2HG       GLU   3  -1.331 -10.231  19.636
   25    HA   PRO   4           HA       PRO   4  -1.630  -8.049  23.647
   26   1HB   PRO   4          1HB       PRO   4  -0.196  -5.559  23.743
   27   2HB   PRO   4          2HB       PRO   4  -0.597  -6.598  25.106
   28   1HG   PRO   4          1HG       PRO   4   2.002  -6.176  23.891
   29   2HG   PRO   4          2HG       PRO   4   1.615  -7.172  25.293
   30   1HD   PRO   4          1HD       PRO   4   2.261  -8.070  22.591
   31   2HD   PRO   4          2HD       PRO   4   1.924  -9.077  24.010
   32    H    VAL   5           H        VAL   5  -2.848  -5.963  22.816
   33    HA   VAL   5           HA       VAL   5  -2.772  -6.608  19.966
   34    HB   VAL   5           HB       VAL   5  -4.689  -8.012  21.808
   35   1HG1  VAL   5          1HG2      VAL   5  -4.061  -8.396  18.861
   36   2HG1  VAL   5          2HG2      VAL   5  -4.927  -9.626  19.781
   37   3HG1  VAL   5          3HG2      VAL   5  -5.611  -8.010  19.611
   38   1HG2  VAL   5          1HG1      VAL   5  -1.938  -8.911  20.998
   39   2HG2  VAL   5          2HG1      VAL   5  -2.805  -9.191  22.513
   40   3HG2  VAL   5          3HG1      VAL   5  -3.183 -10.149  21.083
   41    H    ASP   6           H        ASP   6  -3.625  -4.086  21.214
   42    HA   ASP   6           HA       ASP   6  -4.657  -2.822  19.546
   43   1HB   ASP   6          2HB       ASP   6  -3.502  -3.278  17.655
   44   2HB   ASP   6          1HB       ASP   6  -2.721  -4.511  18.577
   45    HA   PRO   7           HA       PRO   7  -6.985  -3.953  16.404
   46   1HB   PRO   7          1HB       PRO   7  -7.438  -1.150  16.072
   47   2HB   PRO   7          2HB       PRO   7  -8.644  -2.435  16.100
   48   1HG   PRO   7          1HG       PRO   7  -8.113  -0.431  18.157
   49   2HG   PRO   7          2HG       PRO   7  -9.414  -1.613  18.102
   50   1HD   PRO   7          1HD       PRO   7  -7.016  -1.696  19.748
   51   2HD   PRO   7          2HD       PRO   7  -8.332  -2.881  19.704
   52    H    CYS   8           H        CYS   8  -5.797  -0.735  17.356
   53    HA   CYS   8           HA       CYS   8  -3.902  -0.980  15.173
   54   1HB   CYS   8          2HB       CYS   8  -5.365   1.081  15.614
   55   2HB   CYS   8          1HB       CYS   8  -4.361   1.392  17.027
   56    H    PHE   9           H        PHE   9  -3.734  -0.917  18.733
   57    HA   PHE   9           HA       PHE   9  -1.149  -0.581  19.205
   58   1HB   PHE   9          2HB       PHE   9  -3.155  -1.873  20.434
   59   2HB   PHE   9          1HB       PHE   9  -2.208  -3.280  19.981
   60    HD1  PHE   9           HD1      PHE   9   0.023  -3.779  20.794
   61    HD2  PHE   9           HD2      PHE   9  -2.162  -0.248  22.127
   62    HE1  PHE   9           HE1      PHE   9   1.646  -3.498  22.689
   63    HE2  PHE   9           HE2      PHE   9  -0.539   0.036  24.031
   64    HZ   PHE   9           HZ       PHE   9   1.364  -1.590  24.317
   65    H    ARG  10           H        ARG  10   0.701  -2.121  19.318
   66    HA   ARG  10           HA       ARG  10   2.027  -3.749  18.460
   67   1HB   ARG  10          2HB       ARG  10  -0.476  -4.828  18.700
   68   2HB   ARG  10          1HB       ARG  10   0.093  -5.423  17.142
   69   1HG   ARG  10          1HG       ARG  10   1.194  -5.783  19.926
   70   2HG   ARG  10          2HG       ARG  10   0.971  -6.914  18.645
   71   1HD   ARG  10          1HD       ARG  10   3.210  -6.919  18.308
   72   2HD   ARG  10          2HD       ARG  10   2.987  -5.316  17.577
   73    HE   ARG  10           HE       ARG  10   3.148  -4.739  20.227
   74   1HH1  ARG  10          2HH2      ARG  10   4.761  -7.509  19.011
   75   2HH1  ARG  10          1HH2      ARG  10   6.265  -7.072  19.749
   76   1HH2  ARG  10          2HH1      ARG  10   5.647  -3.996  20.625
   77   2HH2  ARG  10          1HH1      ARG  10   6.532  -4.440  19.204
   78    H    ALA  11           H        ALA  11   0.699  -1.635  16.602
   79    HA   ALA  11           HA       ALA  11  -0.689  -3.128  14.854
   80   1HB   ALA  11          1HB       ALA  11  -0.279  -0.805  13.246
   81   2HB   ALA  11          2HB       ALA  11  -1.588  -1.099  14.377
   82   3HB   ALA  11          3HB       ALA  11  -0.128  -0.270  14.920
   83    H    ASN  12           H        ASN  12   2.997  -2.949  13.951
   84    HA   ASN  12           HA       ASN  12   1.689  -0.492  13.245
   85   1HB   ASN  12          1HB       ASN  12   4.652  -1.207  12.878
   86   2HB   ASN  12          2HB       ASN  12   3.982   0.414  13.049
   87   1HD2  ASN  12          1HD2      ASN  12   3.713   1.279  14.983
   88   2HD2  ASN  12          2HD2      ASN  12   4.433   0.535  16.398
   89    H    CYS  13           H        CYS  13   0.412  -1.374  11.191
   90    HA   CYS  13           HA       CYS  13   0.711  -0.461   8.942
   91   1HB   CYS  13          1HB       CYS  13   0.437   1.659  11.146
   92   2HB   CYS  13          2HB       CYS  13  -0.126   1.814   9.478
   93    H    GLU  14           H        GLU  14   2.619  -0.572   7.926
   94    HA   GLU  14           HA       GLU  14   4.764   0.934   7.764
   95   1HB   GLU  14          1HB       GLU  14   3.538  -0.172   5.808
   96   2HB   GLU  14          2HB       GLU  14   2.660   1.316   5.615
   97   1HG   GLU  14          1HG       GLU  14   5.697   1.378   5.698
   98   2HG   GLU  14          2HG       GLU  14   4.870   0.924   4.211
   99    H    TYR  15           H        TYR  15   2.701   3.080   5.928
  100    HA   TYR  15           HA       TYR  15   2.506   5.131   7.799
  101   1HB   TYR  15          2HB       TYR  15   1.549   4.924   5.364
  102   2HB   TYR  15          1HB       TYR  15   0.089   4.311   6.128
  103    HD1  TYR  15           HD1      TYR  15   0.224   6.847   4.458
  104    HD2  TYR  15           HD2      TYR  15   0.836   6.233   8.733
  105    HE1  TYR  15           HE1      TYR  15  -0.503   9.212   4.901
  106    HE2  TYR  15           HE2      TYR  15   0.098   8.591   9.179
  107    HH   TYR  15           HH       TYR  15  -1.328  10.392   7.944
  108    H    GLN  16           H        GLN  16  -0.509   4.669   7.716
  109    HA   GLN  16           HA       GLN  16  -0.408   3.643  10.509
  110   1HB   GLN  16          1HB       GLN  16  -0.955   6.160   9.820
  111   2HB   GLN  16          2HB       GLN  16  -2.589   5.524   9.619
  112   1HG   GLN  16          1HG       GLN  16  -2.164   4.492  12.039
  113   2HG   GLN  16          2HG       GLN  16  -0.861   5.662  12.132
  114   1HE2  GLN  16          1HE2      GLN  16  -4.523   5.776  11.185
  115   2HE2  GLN  16          2HE2      GLN  16  -4.590   6.083  12.911
  116    H    CYS  17           H        CYS  17  -3.175   4.161  10.785
  117    HA   CYS  17           HA       CYS  17  -3.711   1.262  10.468
  118   1HB   CYS  17          1HB       CYS  17  -3.999   3.248  12.644
  119   2HB   CYS  17          2HB       CYS  17  -5.376   2.174  12.546
  120    H    GLN  18           H        GLN  18  -5.856   0.673   9.064
  121    HA   GLN  18           HA       GLN  18  -7.810   2.056  10.751
  122   1HB   GLN  18          2HB       GLN  18  -8.080   0.976   8.303
  123   2HB   GLN  18          1HB       GLN  18  -8.512  -0.452   9.254
  124   1HG   GLN  18          1HG       GLN  18 -10.518   0.927   8.670
  125   2HG   GLN  18          2HG       GLN  18 -10.280   0.854  10.409
  126   1HE2  GLN  18          2HE2      GLN  18  -8.198   2.729   8.286
  127   2HE2  GLN  18          1HE2      GLN  18  -8.489   4.267   9.075
  128    HA   PRO  19           HA       PRO  19  -8.728  -1.764  12.934
  129   1HB   PRO  19          1HB       PRO  19 -10.920  -0.291  14.168
  130   2HB   PRO  19          2HB       PRO  19  -9.595  -1.110  14.977
  131   1HG   PRO  19          1HG       PRO  19  -9.956   1.711  14.758
  132   2HG   PRO  19          2HG       PRO  19  -8.527   0.880  15.377
  133   1HD   PRO  19          1HD       PRO  19  -8.885   2.222  12.762
  134   2HD   PRO  19          2HD       PRO  19  -7.384   1.687  13.537
  135    H    LEU  20           H        LEU  20  -9.888  -1.948  10.186
  136    HA   LEU  20           HA       LEU  20 -10.342  -4.111  10.781
  137   1HB   LEU  20          1HB       LEU  20  -9.848  -4.505  12.964
  138   2HB   LEU  20          2HB       LEU  20 -10.272  -2.884  13.432
  139    HG   LEU  20           HG       LEU  20 -12.341  -4.962  12.939
  140   1HD1  LEU  20          1HD2      LEU  20 -12.196  -5.814  15.137
  141   2HD1  LEU  20          2HD2      LEU  20 -10.499  -5.614  14.698
  142   3HD1  LEU  20          3HD2      LEU  20 -11.292  -4.419  15.726
  143   1HD2  LEU  20          1HD1      LEU  20 -12.383  -2.189  13.768
  144   2HD2  LEU  20          2HD1      LEU  20 -13.748  -3.254  13.436
  145   3HD2  LEU  20          3HD1      LEU  20 -13.057  -3.186  15.058
  146    H    ASN  21           H        ASN  21 -12.320  -1.975  11.948
  147    HA   ASN  21           HA       ASN  21 -14.984  -2.160  11.680
  148   1HB   ASN  21          1HB       ASN  21 -13.296  -0.300  10.036
  149   2HB   ASN  21          2HB       ASN  21 -14.986  -0.469   9.509
  150   1HD2  ASN  21           HD2      ASN  21 -15.700   1.504  10.107
  151    H    GLN  22           H        GLN  22 -14.286  -1.604   8.306
  152    HA   GLN  22           HA       GLN  22 -15.543  -3.903   7.334
  153   1HB   GLN  22          1HB       GLN  22 -13.697  -1.883   6.325
  154   2HB   GLN  22          2HB       GLN  22 -13.184  -3.445   5.735
  155   1HG   GLN  22          1HG       GLN  22 -15.847  -3.682   5.213
  156   2HG   GLN  22          2HG       GLN  22 -15.709  -1.930   5.124
  157   1HE2  GLN  22          1HE2      GLN  22 -16.036  -3.909   2.659
  158   2HE2  GLN  22          2HE2      GLN  22 -15.548  -2.349   2.021
  159    H    THR  23           H        THR  23 -12.365  -3.514   8.861
  160    HA   THR  23           HA       THR  23 -11.536  -5.271   6.691
  161    HB   THR  23           HB       THR  23  -9.744  -3.501   8.404
  162    HG1  THR  23           HG1      THR  23 -10.867  -2.006   7.651
  163   1HG2  THR  23          1HG2      THR  23  -9.443  -4.847   5.701
  164   2HG2  THR  23          2HG2      THR  23  -8.606  -3.321   5.998
  165   3HG2  THR  23          3HG2      THR  23  -8.267  -4.729   7.012
  166    H    SER  24           H        SER  24 -11.742  -5.432   9.849
  167    HA   SER  24           HA       SER  24 -10.518  -5.878  11.649
  168   1HB   SER  24          1HB       SER  24  -9.969  -8.139  12.139
  169   2HB   SER  24          2HB       SER  24 -11.436  -8.128  11.173
  170    HG   SER  24           HG       SER  24 -10.441  -9.058   9.613
  171    H    TYR  25           H        TYR  25  -8.566  -5.775  12.461
  172    HA   TYR  25           HA       TYR  25  -8.490  -3.494  11.057
  173   1HB   TYR  25          2HB       TYR  25  -6.904  -2.547  12.786
  174   2HB   TYR  25          1HB       TYR  25  -8.024  -3.678  13.541
  175    HD1  TYR  25           HD1      TYR  25  -4.517  -2.945  12.790
  176    HD2  TYR  25           HD2      TYR  25  -7.277  -6.098  13.998
  177    HE1  TYR  25           HE1      TYR  25  -2.572  -4.381  13.479
  178    HE2  TYR  25           HE2      TYR  25  -5.330  -7.554  14.652
  179    HH   TYR  25           HH       TYR  25  -1.947  -6.350  14.465
  180    H    LEU  26           H        LEU  26  -7.287  -2.288  10.140
  181    HA   LEU  26           HA       LEU  26  -5.340  -3.664   8.430
  182   1HB   LEU  26          2HB       LEU  26  -6.771  -3.218   6.766
  183   2HB   LEU  26          1HB       LEU  26  -7.907  -2.833   8.060
  184    HG   LEU  26           HG       LEU  26  -6.755  -0.424   7.827
  185   1HD1  LEU  26          1HD2      LEU  26  -5.486  -1.717   5.715
  186   2HD1  LEU  26          2HD2      LEU  26  -6.828  -0.907   4.912
  187   3HD1  LEU  26          3HD2      LEU  26  -5.685   0.032   5.866
  188   1HD2  LEU  26          1HD1      LEU  26  -8.852  -1.330   5.809
  189   2HD2  LEU  26          2HD1      LEU  26  -9.215  -1.135   7.520
  190   3HD2  LEU  26          3HD1      LEU  26  -8.705   0.255   6.558
  191    H    CYS  27           H        CYS  27  -4.288  -1.816   6.791
  192    HA   CYS  27           HA       CYS  27  -3.612   0.471   8.542
  193   1HB   CYS  27          1HB       CYS  27  -1.560  -1.208   7.090
  194   2HB   CYS  27          2HB       CYS  27  -1.200   0.368   7.805
  195    H    VAL  28           H        VAL  28  -3.582   2.263   7.712
  196    HA   VAL  28           HA       VAL  28  -4.508   2.569   4.964
  197    HB   VAL  28           HB       VAL  28  -3.803   5.118   5.745
  198   1HG1  VAL  28          1HG2      VAL  28  -6.007   4.426   4.825
  199   2HG1  VAL  28          2HG2      VAL  28  -6.461   3.773   6.402
  200   3HG1  VAL  28          3HG2      VAL  28  -6.191   5.505   6.208
  201   1HG2  VAL  28          1HG1      VAL  28  -4.636   5.376   8.134
  202   2HG2  VAL  28          2HG1      VAL  28  -4.515   3.622   8.290
  203   3HG2  VAL  28          3HG1      VAL  28  -3.071   4.573   7.948
  204    H    CYS  29           H        CYS  29  -2.934   3.620   3.151
  205    HA   CYS  29           HA       CYS  29  -1.059   5.164   4.740
  206   1HB   CYS  29          1HB       CYS  29  -1.283   4.117   1.998
  207   2HB   CYS  29          2HB       CYS  29  -0.335   5.571   2.097
  208    H    ALA  30           H        ALA  30  -0.913   7.107   2.610
  209    HA   ALA  30           HA       ALA  30  -2.672   9.061   3.120
  210   1HB   ALA  30          1HB       ALA  30  -1.930  10.200   1.109
  211   2HB   ALA  30          2HB       ALA  30  -0.590   9.202   1.681
  212   3HB   ALA  30          3HB       ALA  30  -1.565   8.670   0.309
  213    H    GLU  31           H        GLU  31  -4.730   6.971   2.876
  214    HA   GLU  31           HA       GLU  31  -4.062   5.409   0.920
  215   1HB   GLU  31          1HB       GLU  31  -5.725   4.259   1.907
  216   2HB   GLU  31          2HB       GLU  31  -6.274   5.706   2.683
  217   1HG   GLU  31          1HG       GLU  31  -7.702   6.250   0.681
  218   2HG   GLU  31          2HG       GLU  31  -7.241   4.703  -0.025
  219    H    GLY  32           H        GLY  32  -5.732   4.693  -1.156
  220   1HA   GLY  32          1HA       GLY  32  -5.244   5.539  -3.349
  221   2HA   GLY  32          2HA       GLY  32  -4.359   6.903  -2.613
  222    H    PHE  33           H        PHE  33  -3.099   5.643  -0.926
  223    HA   PHE  33           HA       PHE  33  -1.218   3.577  -1.981
  224   1HB   PHE  33          2HB       PHE  33  -1.003   5.933  -0.121
  225   2HB   PHE  33          1HB       PHE  33  -0.118   4.523   0.447
  226    HD1  PHE  33           HD1      PHE  33  -0.355   7.103  -2.166
  227    HD2  PHE  33           HD2      PHE  33   1.787   3.553  -0.811
  228    HE1  PHE  33           HE1      PHE  33   1.611   7.741  -3.605
  229    HE2  PHE  33           HE2      PHE  33   3.748   4.186  -2.250
  230    HZ   PHE  33           HZ       PHE  33   3.669   6.288  -3.637
  231    H    ALA  34           H        ALA  34  -1.497   1.597  -1.382
  232    HA   ALA  34           HA       ALA  34  -2.801   0.762   0.986
  233   1HB   ALA  34          1HB       ALA  34  -5.006   0.072  -0.474
  234   2HB   ALA  34          2HB       ALA  34  -4.914   1.630   0.351
  235   3HB   ALA  34          3HB       ALA  34  -4.548   1.517  -1.371
  236    HA   PRO  35           HA       PRO  35  -1.047  -2.338   0.967
  237   1HB   PRO  35          1HB       PRO  35  -2.731  -4.706   0.765
  238   2HB   PRO  35          2HB       PRO  35  -2.137  -3.916   2.220
  239   1HG   PRO  35          1HG       PRO  35  -4.827  -3.855   1.181
  240   2HG   PRO  35          2HG       PRO  35  -4.219  -3.013   2.599
  241   1HD   PRO  35          2HD       PRO  35  -4.929  -1.858   0.026
  242   2HD   PRO  35          1HD       PRO  35  -4.335  -1.007   1.462
  243    H    ILE  36           H        ILE  36   0.090  -1.987  -1.019
  244    HA   ILE  36           HA       ILE  36   0.292  -3.586  -3.107
  245    HB   ILE  36           HB       ILE  36   2.061  -2.397  -2.976
  246   1HG1  ILE  36          1HG1      ILE  36   2.706  -5.045  -2.941
  247   2HG1  ILE  36          2HG1      ILE  36   3.733  -3.718  -3.416
  248   1HG2  ILE  36          1HG2      ILE  36   3.500  -1.986  -0.928
  249   2HG2  ILE  36          2HG2      ILE  36   1.817  -1.487  -0.761
  250   3HG2  ILE  36          3HG2      ILE  36   2.349  -2.926   0.005
  251   1HD1  ILE  36          1HD1      ILE  36   4.570  -5.373  -1.567
  252   2HD1  ILE  36          2HD1      ILE  36   4.860  -3.625  -1.385
  253   3HD1  ILE  36          3HD1      ILE  36   3.539  -4.365  -0.523
  254    HA   PRO  37           HA       PRO  37   2.983  -6.551  -1.699
  255   1HB   PRO  37          1HB       PRO  37   3.493  -7.348   0.960
  256   2HB   PRO  37          2HB       PRO  37   4.217  -6.006   0.265
  257   1HG   PRO  37          1HG       PRO  37   2.162  -5.858   2.329
  258   2HG   PRO  37          2HG       PRO  37   2.961  -4.519   1.504
  259   1HD   PRO  37          1HD       PRO  37   0.265  -5.654   1.038
  260   2HD   PRO  37          2HD       PRO  37   0.866  -4.067   0.591
  261    H    HIS  38           H        HIS  38   3.352  -9.213  -1.207
  262    HA   HIS  38           HA       HIS  38   2.549 -10.778   0.440
  263   1HB   HIS  38          1HB       HIS  38   3.890  -8.809   2.265
  264   2HB   HIS  38          2HB       HIS  38   4.196 -10.535   2.062
  265    HD1  HIS  38           HD1      HIS  38   4.657 -10.083  -1.308
  266    HD2  HIS  38           HD2      HIS  38   6.567  -8.338   2.041
  267    HE1  HIS  38           HE1      HIS  38   6.928  -9.206  -2.141
  268    H    GLU  39           H        GLU  39   2.082  -7.671   1.394
  269    HA   GLU  39           HA       GLU  39   1.402  -8.940   3.981
  270   1HB   GLU  39          2HB       GLU  39   3.479  -7.034   3.185
  271   2HB   GLU  39          1HB       GLU  39   2.615  -6.426   4.608
  272   1HG   GLU  39          2HG       GLU  39   3.100  -9.235   4.974
  273   2HG   GLU  39          1HG       GLU  39   4.599  -8.519   4.414
  274    HA   PRO  40           HA       PRO  40  -1.675  -5.858   5.212
  275   1HB   PRO  40          1HB       PRO  40  -1.207  -6.739   7.932
  276   2HB   PRO  40          2HB       PRO  40  -2.649  -7.001   6.960
  277   1HG   PRO  40          1HG       PRO  40  -0.649  -8.959   7.699
  278   2HG   PRO  40          2HG       PRO  40  -2.084  -9.219   6.717
  279   1HD   PRO  40          1HD       PRO  40   0.689  -9.064   5.831
  280   2HD   PRO  40          2HD       PRO  40  -0.741  -9.405   4.840
  281    H    HIS  41           H        HIS  41   0.768  -4.441   4.645
  282    HA   HIS  41           HA       HIS  41  -0.817  -2.978   6.562
  283   1HB   HIS  41          2HB       HIS  41   1.356  -1.618   7.232
  284   2HB   HIS  41          1HB       HIS  41   0.965  -3.107   8.080
  285    HD1  HIS  41           HD1      HIS  41   2.184  -5.277   5.986
  286    HD2  HIS  41           HD2      HIS  41   3.949  -1.613   7.118
  287    HE1  HIS  41           HE1      HIS  41   4.695  -5.574   5.637
  288    H    ARG  42           H        ARG  42   1.629  -2.902   4.481
  289    HA   ARG  42           HA       ARG  42   2.009  -0.252   3.847
  290   1HB   ARG  42          2HB       ARG  42   2.286  -2.596   1.949
  291   2HB   ARG  42          1HB       ARG  42   3.078  -1.114   1.610
  292   1HG   ARG  42          2HG       ARG  42   4.626  -1.357   3.345
  293   2HG   ARG  42          1HG       ARG  42   3.493  -2.263   4.334
  294   1HD   ARG  42          2HD       ARG  42   3.985  -4.320   3.178
  295   2HD   ARG  42          1HD       ARG  42   4.665  -3.481   1.775
  296    HE   ARG  42           HE       ARG  42   6.081  -3.172   4.331
  297   1HH1  ARG  42          1HH2      ARG  42   5.632  -4.927   1.270
  298   2HH1  ARG  42          2HH2      ARG  42   7.106  -5.800   1.527
  299   1HH2  ARG  42          2HH1      ARG  42   8.544  -3.108   2.681
  300   2HH2  ARG  42          1HH1      ARG  42   8.651  -4.632   3.496
  301    H    CYS  43           H        CYS  43   1.917   0.519   1.748
  302    HA   CYS  43           HA       CYS  43  -0.714   0.353   0.491
  303   1HB   CYS  43          2HB       CYS  43   0.065   2.737  -0.233
  304   2HB   CYS  43          1HB       CYS  43  -0.646   2.341   1.364
  305    H    GLN  44           H        GLN  44   2.403   0.784  -0.176
  306    HA   GLN  44           HA       GLN  44   3.309   2.090  -2.114
  307   1HB   GLN  44          1HB       GLN  44   4.537   0.050  -1.854
  308   2HB   GLN  44          2HB       GLN  44   3.280  -0.894  -2.582
  309   1HG   GLN  44          1HG       GLN  44   3.821   0.774  -4.692
  310   2HG   GLN  44          2HG       GLN  44   5.388   0.799  -3.892
  311   1HE2  GLN  44          1HE2      GLN  44   2.812  -1.364  -5.034
  312   2HE2  GLN  44          2HE2      GLN  44   3.737  -2.854  -4.945
  313    H    MET  45           H        MET  45   2.749   3.125  -3.866
  314    HA   MET  45           HA       MET  45   0.195   3.792  -3.471
  315   1HB   MET  45          1HB       MET  45   0.034   4.701  -5.909
  316   2HB   MET  45          2HB       MET  45   1.377   5.278  -4.959
  317   1HG   MET  45          1HG       MET  45   2.818   4.492  -6.524
  318   2HG   MET  45          2HG       MET  45   2.258   2.856  -6.262
  319   1HE   MET  45          1HE       MET  45   2.366   1.961  -8.934
  320   2HE   MET  45          2HE       MET  45   2.374   3.283 -10.109
  321   3HE   MET  45          3HE       MET  45   3.440   3.352  -8.696
  322    H    PHE  46           H        PHE  46  -1.742   2.706  -3.452
  323    HA   PHE  46           HA       PHE  46  -2.002   0.241  -3.676
  324   1HB   PHE  46          1HB       PHE  46  -4.143   0.854  -3.225
  325   2HB   PHE  46          2HB       PHE  46  -3.732   2.458  -3.679
  326    HD1  PHE  46           HD1      PHE  46  -4.804   3.596  -5.407
  327    HD2  PHE  46           HD2      PHE  46  -4.995  -0.761  -5.242
  328    HE1  PHE  46           HE1      PHE  46  -6.491   3.596  -7.272
  329    HE2  PHE  46           HE2      PHE  46  -6.681  -0.761  -7.093
  330    HZ   PHE  46           HZ       PHE  46  -7.437   1.415  -8.111
  331    H    CYS  47           H        CYS  47  -0.819  -1.016  -4.991
  332    HA   CYS  47           HA       CYS  47  -0.599   0.224  -7.671
  333   1HB   CYS  47          2HB       CYS  47   1.517   0.504  -6.697
  334   2HB   CYS  47          1HB       CYS  47   1.421  -0.975  -5.770
  335    H    ASN  48           H        ASN  48  -2.038  -1.434  -9.144
  336    HA   ASN  48           HA       ASN  48  -3.149  -2.021  -6.679
  337   1HB   ASN  48          2HB       ASN  48  -4.679  -1.630  -8.506
  338   2HB   ASN  48          1HB       ASN  48  -3.920  -2.853  -9.517
  339   1HD2  ASN  48           HD2      ASN  48  -5.846  -2.613  -6.344
  340    H    GLN  49           H        GLN  49  -3.611  -5.359  -8.333
  341    HA   GLN  49           HA       GLN  49  -1.180  -4.163  -9.340
  342   1HB   GLN  49          2HB       GLN  49   0.335  -5.983  -8.989
  343   2HB   GLN  49          1HB       GLN  49  -0.495  -5.840  -7.458
  344   1HG   GLN  49          2HG       GLN  49  -1.320  -7.809  -9.656
  345   2HG   GLN  49          1HG       GLN  49  -0.313  -8.229  -8.275
  346   1HE2  GLN  49          1HE2      GLN  49  -1.672  -6.816  -6.104
  347   2HE2  GLN  49          2HE2      GLN  49  -2.395  -8.391  -5.835
  348    H    THR  50           H        THR  50  -1.366  -4.154 -11.501
  349    HA   THR  50           HA       THR  50  -1.942  -6.864 -12.549
  350    HB   THR  50           HB       THR  50  -2.500  -4.122 -13.760
  351    HG1  THR  50           HG1      THR  50  -4.495  -4.893 -13.874
  352   1HG2  THR  50          1HG2      THR  50  -1.736  -5.025 -15.760
  353   2HG2  THR  50          2HG2      THR  50  -3.325  -5.789 -15.751
  354   3HG2  THR  50          3HG2      THR  50  -1.910  -6.690 -15.204
  355    H    ALA  51           H        ALA  51   0.576  -6.997 -11.862
  356    HA   ALA  51           HA       ALA  51   2.211  -5.489 -11.219
  357   1HB   ALA  51          1HB       ALA  51   2.799  -5.537 -14.230
  358   2HB   ALA  51          2HB       ALA  51   3.078  -6.940 -13.193
  359   3HB   ALA  51          3HB       ALA  51   3.969  -5.444 -12.915
  360    H    CYS  52           H        CYS  52   2.645  -3.433 -10.810
  361    HA   CYS  52           HA       CYS  52   1.406  -1.311 -12.228
  362   1HB   CYS  52          2HB       CYS  52   3.715  -1.586 -10.317
  363   2HB   CYS  52          1HB       CYS  52   3.625  -0.090 -11.219
  364    HA   PRO  53           HA       PRO  53   5.091   0.349 -12.484
  365   1HB   PRO  53          2HB       PRO  53   7.567  -0.784 -13.498
  366   2HB   PRO  53          1HB       PRO  53   7.191  -0.328 -11.840
  367   1HG   PRO  53          2HG       PRO  53   7.405  -2.999 -12.902
  368   2HG   PRO  53          1HG       PRO  53   6.961  -2.536 -11.263
  369   1HD   PRO  53          2HD       PRO  53   5.207  -3.578 -13.352
  370   2HD   PRO  53          1HD       PRO  53   4.790  -3.190 -11.675
  371    H    ALA  54           H        ALA  54   6.136   1.843 -13.741
  372    HA   ALA  54           HA       ALA  54   4.277   2.239 -15.590
  373   1HB   ALA  54          1HB       ALA  54   5.941   4.101 -16.571
  374   2HB   ALA  54          2HB       ALA  54   6.914   3.649 -15.173
  375   3HB   ALA  54          3HB       ALA  54   5.272   4.253 -14.947
  376    H    ASP  55           H        ASP  55   4.362   2.557 -18.236
  377    HA   ASP  55           HA       ASP  55   7.104   3.377 -18.262
  378   1HB   ASP  55          1HB       ASP  55   6.648   1.130 -19.660
  379   2HB   ASP  55          2HB       ASP  55   5.937   2.244 -20.816
  380    H    CYS  56           H        CYS  56   5.112   5.526 -17.809
  381    HA   CYS  56           HA       CYS  56   3.355   3.744 -17.887
  382   1HB   CYS  56          1HB       CYS  56   2.256   6.489 -18.295
  383   2HB   CYS  56          2HB       CYS  56   2.106   5.366 -16.930
  384    H    ASP  57           H        ASP  57   0.815   4.040 -19.350
  385    HA   ASP  57           HA       ASP  57   2.557   1.955 -19.176
  386   1HB   ASP  57          1HB       ASP  57   0.132   1.585 -18.992
  387   2HB   ASP  57          2HB       ASP  57  -0.093   1.878 -20.720
  388    HA   PRO  58           HA       PRO  58   2.783   3.839 -23.313
  389   1HB   PRO  58          2HB       PRO  58   0.549   3.498 -25.043
  390   2HB   PRO  58          1HB       PRO  58   2.173   2.896 -25.313
  391   1HG   PRO  58          2HG       PRO  58  -0.217   1.355 -24.594
  392   2HG   PRO  58          1HG       PRO  58   1.354   0.762 -25.121
  393   1HD   PRO  58          2HD       PRO  58   0.283   0.823 -22.417
  394   2HD   PRO  58          1HD       PRO  58   1.847   0.171 -22.938
  395    H    ASN  59           H        ASN  59  -0.942   3.350 -23.043
  396    HA   ASN  59           HA       ASN  59  -0.475   6.090 -23.835
  397   1HB   ASN  59          2HB       ASN  59  -1.927   3.799 -24.863
  398   2HB   ASN  59          1HB       ASN  59  -3.120   5.033 -24.466
  399   1HD2  ASN  59          1HD2      ASN  59  -0.866   3.934 -26.773
  400   2HD2  ASN  59          2HD2      ASN  59  -0.181   5.449 -27.333
  401    H    THR  60           H        THR  60  -2.274   4.189 -21.906
  402    HA   THR  60           HA       THR  60  -4.500   5.969 -22.586
  403    HB   THR  60           HB       THR  60  -4.672   3.946 -23.731
  404    HG1  THR  60           HG1      THR  60  -6.499   3.776 -21.628
  405   1HG2  THR  60          1HG2      THR  60  -4.772   1.783 -22.541
  406   2HG2  THR  60          2HG2      THR  60  -4.604   2.638 -20.988
  407   3HG2  THR  60          3HG2      THR  60  -3.269   2.651 -22.157
  408    H    GLN  61           H        GLN  61  -3.233   6.210 -19.845
  409    HA   GLN  61           HA       GLN  61  -4.849   4.187 -18.435
  410   1HB   GLN  61          2HB       GLN  61  -1.823   4.673 -18.530
  411   2HB   GLN  61          1HB       GLN  61  -2.509   3.642 -17.302
  412   1HG   GLN  61          2HG       GLN  61  -2.828   3.212 -20.303
  413   2HG   GLN  61          1HG       GLN  61  -1.672   2.361 -19.289
  414   1HE2  GLN  61          2HE2      GLN  61  -2.832   0.343 -19.993
  415   2HE2  GLN  61          1HE2      GLN  61  -4.586   0.321 -19.976
  416    H    ALA  62           H        ALA  62  -4.269   7.294 -17.957
  417    HA   ALA  62           HA       ALA  62  -1.771   7.265 -17.558
  418   1HB   ALA  62          1HB       ALA  62  -3.431   8.877 -15.538
  419   2HB   ALA  62          2HB       ALA  62  -2.735   9.461 -17.049
  420   3HB   ALA  62          3HB       ALA  62  -1.686   9.085 -15.683
  421    H    SER  63           H        SER  63  -1.116   5.245 -17.033
  422    HA   SER  63           HA       SER  63  -1.175   4.594 -14.141
  423   1HB   SER  63          2HB       SER  63  -2.050   2.736 -15.597
  424   2HB   SER  63          1HB       SER  63  -0.551   2.778 -16.547
  425    HG   SER  63           HG       SER  63  -0.272   2.520 -13.847
  426    H    CYS  64           H        CYS  64   0.725   6.628 -15.065
  427    HA   CYS  64           HA       CYS  64   2.348   4.904 -13.285
  428   1HB   CYS  64          2HB       CYS  64   3.250   7.584 -12.941
  429   2HB   CYS  64          1HB       CYS  64   4.064   6.336 -13.847
  430    H    GLU  65           H        GLU  65   0.765   4.408 -11.829
  431    HA   GLU  65           HA       GLU  65  -1.116   6.426 -11.067
  432   1HB   GLU  65          1HB       GLU  65  -0.953   3.630 -11.043
  433   2HB   GLU  65          2HB       GLU  65  -0.904   4.011  -9.344
  434   1HG   GLU  65          2HG       GLU  65  -3.044   4.958  -9.301
  435   2HG   GLU  65          1HG       GLU  65  -2.999   5.397 -11.007
  436    H    CYS  66           H        CYS  66   1.828   6.522 -10.224
  437    HA   CYS  66           HA       CYS  66   2.057   6.046  -7.492
  438   1HB   CYS  66          1HB       CYS  66   3.523   7.278  -9.799
  439   2HB   CYS  66          2HB       CYS  66   3.943   8.034  -8.361
  440    HA   PRO  67           HA       PRO  67   1.022  10.304  -5.877
  441   1HB   PRO  67          1HB       PRO  67   3.819  11.245  -5.825
  442   2HB   PRO  67          2HB       PRO  67   2.680  11.047  -4.475
  443   1HG   PRO  67          2HG       PRO  67   4.888   9.335  -5.115
  444   2HG   PRO  67          1HG       PRO  67   3.654   9.048  -3.895
  445   1HD   PRO  67          2HD       PRO  67   3.996   7.678  -6.427
  446   2HD   PRO  67          1HD       PRO  67   2.765   7.358  -5.205
  447    H    GLU  68           H        GLU  68   1.387  12.578  -6.460
  448    HA   GLU  68           HA       GLU  68   0.018  12.578  -8.729
  449   1HB   GLU  68          2HB       GLU  68   0.502  15.106  -8.908
  450   2HB   GLU  68          1HB       GLU  68  -0.099  14.543  -7.367
  451   1HG   GLU  68          2HG       GLU  68   2.192  14.549  -6.419
  452   2HG   GLU  68          1HG       GLU  68   2.872  14.959  -7.989
  453    H    GLY  69           H        GLY  69   0.945  11.395 -10.450
  454   1HA   GLY  69          1HA       GLY  69   2.158  11.300 -12.445
  455   2HA   GLY  69          2HA       GLY  69   2.849  12.904 -12.049
  456    H    TYR  70           H        TYR  70   4.029  11.237  -9.166
  457    HA   TYR  70           HA       TYR  70   4.824  13.666  -9.850
  458   1HB   TYR  70          2HB       TYR  70   5.725  11.749  -8.018
  459   2HB   TYR  70          1HB       TYR  70   7.185  12.136  -8.894
  460    HD1  TYR  70           HD1      TYR  70   8.346  14.229  -8.573
  461    HD2  TYR  70           HD2      TYR  70   4.371  13.613  -6.898
  462    HE1  TYR  70           HE1      TYR  70   8.588  16.344  -7.229
  463    HE2  TYR  70           HE2      TYR  70   4.608  15.728  -5.551
  464    HH   TYR  70           HH       TYR  70   6.817  17.136  -4.642
  465    H    ILE  71           H        ILE  71   6.666  14.742 -10.953
  466    HA   ILE  71           HA       ILE  71   8.257  13.542 -12.854
  467    HB   ILE  71           HB       ILE  71   8.386  15.805 -11.218
  468   1HG1  ILE  71          1HG1      ILE  71   9.050  15.129 -13.769
  469   2HG1  ILE  71          2HG1      ILE  71   9.340  16.690 -13.039
  470   1HG2  ILE  71          1HG2      ILE  71   9.964  14.559  -9.683
  471   2HG2  ILE  71          2HG2      ILE  71  10.653  16.017 -10.398
  472   3HG2  ILE  71          3HG2      ILE  71  11.094  14.431 -11.031
  473   1HD1  ILE  71          1HD1      ILE  71  11.373  14.397 -13.038
  474   2HD1  ILE  71          2HD1      ILE  71  11.655  16.030 -12.430
  475   3HD1  ILE  71          3HD1      ILE  71  11.398  15.763 -14.153
  476    H    LEU  72           H        LEU  72  10.819  11.902 -11.886
  477    HA   LEU  72           HA       LEU  72  10.075   9.935 -12.772
  478   1HB   LEU  72          2HB       LEU  72   9.318  10.309 -10.076
  479   2HB   LEU  72          1HB       LEU  72   7.777   9.919 -10.806
  480    HG   LEU  72           HG       LEU  72   9.845   8.202  -9.903
  481   1HD1  LEU  72          1HD1      LEU  72   7.009   8.087 -10.643
  482   2HD1  LEU  72          2HD1      LEU  72   7.886   7.210  -9.387
  483   3HD1  LEU  72          3HD1      LEU  72   7.863   6.595 -11.040
  484   1HD2  LEU  72          1HD2      LEU  72  10.847   8.228 -12.096
  485   2HD2  LEU  72          2HD2      LEU  72   9.284   7.936 -12.866
  486   3HD2  LEU  72          3HD2      LEU  72  10.017   6.675 -11.872
  487    H    ASP  73           H        ASP  73   7.299   8.775 -12.699
  488    HA   ASP  73           HA       ASP  73   6.226   8.645 -14.853
  489   1HB   ASP  73          2HB       ASP  73   8.366  10.715 -15.572
  490   2HB   ASP  73          1HB       ASP  73   7.583   9.772 -16.826
  491    H    ASP  74           H        ASP  74   6.532   6.863 -15.924
  492    HA   ASP  74           HA       ASP  74   7.675   5.037 -16.809
  493   1HB   ASP  74          2HB       ASP  74   7.959   6.661 -18.625
  494   2HB   ASP  74          1HB       ASP  74   9.190   7.546 -17.731
  495    H    GLY  75           H        GLY  75   8.672   4.844 -14.031
  496   1HA   GLY  75          2HA       GLY  75   8.592   2.609 -15.391
  497   2HA   GLY  75          1HA       GLY  75  10.214   3.138 -15.863
  498    H    PHE  76           H        PHE  76   8.660   3.376 -13.008
  499    HA   PHE  76           HA       PHE  76  10.486   1.599 -11.482
  500   1HB   PHE  76          2HB       PHE  76  11.880   3.574 -12.141
  501   2HB   PHE  76          1HB       PHE  76  10.754   4.653 -11.343
  502    HD1  PHE  76           HD1      PHE  76  11.267   5.394  -9.179
  503    HD2  PHE  76           HD2      PHE  76  12.795   1.544 -10.542
  504    HE1  PHE  76           HE1      PHE  76  12.535   5.138  -7.023
  505    HE2  PHE  76           HE2      PHE  76  14.075   1.289  -8.392
  506    HZ   PHE  76           HZ       PHE  76  13.953   3.089  -6.632
  507    H    ILE  77           H        ILE  77   7.497   1.954 -11.341
  508    HA   ILE  77           HA       ILE  77   7.536   4.550 -11.069
  509    HB   ILE  77           HB       ILE  77   4.982   3.274 -10.235
  510   1HG1  ILE  77          2HG1      ILE  77   5.928   3.495 -13.100
  511   2HG1  ILE  77          1HG1      ILE  77   6.089   2.034 -12.161
  512   1HG2  ILE  77          1HG2      ILE  77   5.670   5.891 -10.724
  513   2HG2  ILE  77          2HG2      ILE  77   4.042   5.249 -11.020
  514   3HG2  ILE  77          3HG2      ILE  77   5.206   5.376 -12.343
  515   1HD1  ILE  77          1HD1      ILE  77   3.701   1.747 -11.980
  516   2HD1  ILE  77          2HD1      ILE  77   3.910   2.322 -13.633
  517   3HD1  ILE  77          3HD1      ILE  77   3.389   3.435 -12.371
  518    H    CYS  78           H        CYS  78   6.047   2.584  -8.976
  519    HA   CYS  78           HA       CYS  78   7.327   3.739  -6.559
  520   1HB   CYS  78          2HB       CYS  78   4.322   3.216  -6.793
  521   2HB   CYS  78          1HB       CYS  78   5.100   3.440  -5.244
  522    H    THR  79           H        THR  79   4.884   0.895  -7.056
  523    HA   THR  79           HA       THR  79   6.563   0.182  -8.953
  524    HB   THR  79           HB       THR  79   8.199  -1.519  -7.897
  525    HG1  THR  79           HG1      THR  79   8.470  -1.513  -5.836
  526   1HG2  THR  79          1HG2      THR  79   9.316   0.825  -6.675
  527   2HG2  THR  79          2HG2      THR  79   8.404   1.357  -8.091
  528   3HG2  THR  79          3HG2      THR  79   9.688   0.161  -8.269
  529    H    ASP  80           H        ASP  80   6.140  -2.104  -9.834
  530    HA   ASP  80           HA       ASP  80   5.645  -3.801  -7.456
  531   1HB   ASP  80          1HB       ASP  80   4.191  -3.907  -9.748
  532   2HB   ASP  80          2HB       ASP  80   5.517  -4.965 -10.254
  533    H    ILE  81           H        ILE  81   7.952  -3.317 -10.293
  534    HA   ILE  81           HA       ILE  81   8.107  -5.236 -11.624
  535    HB   ILE  81           HB       ILE  81  10.111  -5.958  -9.468
  536   1HG1  ILE  81          2HG1      ILE  81  10.059  -3.502 -11.223
  537   2HG1  ILE  81          1HG1      ILE  81  10.362  -3.616  -9.507
  538   1HG2  ILE  81          1HG2      ILE  81  11.004  -7.257 -11.079
  539   2HG2  ILE  81          2HG2      ILE  81  11.165  -5.869 -12.161
  540   3HG2  ILE  81          3HG2      ILE  81   9.677  -6.814 -12.150
  541   1HD1  ILE  81          1HD1      ILE  81  12.597  -3.639  -9.955
  542   2HD1  ILE  81          2HD1      ILE  81  12.285  -3.709 -11.688
  543   3HD1  ILE  81          3HD1      ILE  81  12.403  -5.201 -10.749
  544    H    ASP  82           H        ASP  82   9.198  -7.778 -10.965
  545    HA   ASP  82           HA       ASP  82   6.949  -9.198 -10.053
  546   1HB   ASP  82          1HB       ASP  82   9.170 -10.026 -11.262
  547   2HB   ASP  82          2HB       ASP  82   9.806 -10.205  -9.632
  548    H    GLU  83           H        GLU  83   9.423  -7.419  -7.949
  549    HA   GLU  83           HA       GLU  83  10.439 -10.003  -7.756
  550   1HB   GLU  83          1HB       GLU  83  12.220  -8.956  -6.776
  551   2HB   GLU  83          2HB       GLU  83  11.341  -7.480  -7.076
  552   1HG   GLU  83          1HG       GLU  83  10.384  -7.531  -4.786
  553   2HG   GLU  83          2HG       GLU  83  11.149  -9.086  -4.479
  554    H1   NAG 121           H1       ASN  21 -15.153   2.206  12.934
  555    H2   NAG 121           H2       ASN  21 -14.012   3.409  10.570
  556    H3   NAG 121           H3       ASN  21 -14.558   5.828  11.168
  557    H4   NAG 121           H4       ASN  21 -16.956   6.064  12.119
  558    H5   NAG 121           H5       ASN  21 -16.510   3.757  13.882
  559   1H6   NAG 121          1H6       ASN  21 -18.926   4.576  12.192
  560   2H6   NAG 121          2H6       ASN  21 -18.606   5.152  13.828
  561   1H8   NAG 121          1H8       ASN  21 -11.015   1.798  12.003
  562   2H8   NAG 121          2H8       ASN  21 -12.726   1.499  12.358
  563   3H8   NAG 121          3H8       ASN  21 -12.229   1.966  10.720
  564    HN2  NAG 121           HN2      ASN  21 -13.704   4.250  13.390
  565    HO4  NAG 121           HO4      ASN  21 -16.126   6.152  14.153
  566    HO3  NAG 121           HO3      ASN  21 -15.447   4.529   9.440
  567    HO6  NAG 121           H6       ASN  21 -19.232   2.601  12.933
  568    H1   NAG 148           H1       ASN  48  -4.299  -4.796  -5.683
  569    H2   NAG 148           H2       ASN  48  -6.902  -3.678  -4.622
  570    H3   NAG 148           H3       ASN  48  -6.400  -5.501  -2.701
  571    H4   NAG 148           H4       ASN  48  -6.029  -7.724  -3.790
  572    H5   NAG 148           H5       ASN  48  -4.564  -7.202  -6.059
  573   1H6   NAG 148          1H6       ASN  48  -7.422  -7.677  -6.667
  574   2H6   NAG 148          2H6       ASN  48  -6.800  -8.732  -5.398
  575   1H8   NAG 148          1H8       ASN  48  -3.369  -2.217  -2.564
  576   2H8   NAG 148          2H8       ASN  48  -3.649  -0.984  -3.799
  577   3H8   NAG 148          3H8       ASN  48  -4.391  -0.816  -2.195
  578    HN2  NAG 148           HN2      ASN  48  -4.340  -4.058  -3.196
  579    HO4  NAG 148           HO4      ASN  48  -3.773  -7.251  -4.227
  580    HO3  NAG 148           HO3      ASN  48  -7.975  -6.801  -3.912
  581    HO6  NAG 148           H6       ASN  48  -5.721  -8.322  -7.947
  Start of MODEL   12
    1   1H    HIS   1          1H        HIS   1   0.960 -10.857  28.340
    2   2H    HIS   1          2H        HIS   1   1.034 -10.140  26.803
    3   3H    HIS   1          3H        HIS   1   2.382 -10.972  27.417
    4    HA   HIS   1           HA       HIS   1   1.262  -8.733  28.885
    5   1HB   HIS   1          1HB       HIS   1   3.666  -8.424  29.524
    6   2HB   HIS   1          2HB       HIS   1   3.051  -9.999  29.972
    7    HD2  HIS   1           HD2      HIS   1   5.947 -10.325  29.823
    8    HE1  HIS   1           HE1      HIS   1   5.822 -11.264  25.634
    9    HE2  HIS   1           HE2      HIS   1   7.289 -11.362  27.748
   10    H    MET   2           H        MET   2   0.589  -8.499  26.309
   11    HA   MET   2           HA       MET   2   2.216  -6.077  25.857
   12   1HB   MET   2          2HB       MET   2   1.061  -7.885  23.665
   13   2HB   MET   2          1HB       MET   2   1.825  -6.341  23.362
   14   1HG   MET   2          1HG       MET   2   3.911  -7.244  23.486
   15   2HG   MET   2          2HG       MET   2   3.560  -8.030  25.016
   16   1HE   MET   2          1HE       MET   2   5.355  -9.131  22.392
   17   2HE   MET   2          2HE       MET   2   4.189  -8.216  21.421
   18   3HE   MET   2          3HE       MET   2   4.367  -9.962  21.178
   19    H    GLU   3           H        GLU   3   0.903  -4.171  25.015
   20    HA   GLU   3           HA       GLU   3  -0.577  -3.506  23.428
   21   1HB   GLU   3          2HB       GLU   3  -1.324  -5.087  21.837
   22   2HB   GLU   3          1HB       GLU   3   0.060  -5.914  22.545
   23   1HG   GLU   3          1HG       GLU   3  -1.432  -7.242  24.008
   24   2HG   GLU   3          2HG       GLU   3  -2.838  -6.353  23.427
   25    HA   PRO   4           HA       PRO   4  -4.838  -3.589  24.411
   26   1HB   PRO   4          1HB       PRO   4  -4.798  -1.119  22.930
   27   2HB   PRO   4          2HB       PRO   4  -5.299  -1.335  24.602
   28   1HG   PRO   4          1HG       PRO   4  -2.877  -0.072  23.619
   29   2HG   PRO   4          2HG       PRO   4  -3.408  -0.231  25.291
   30   1HD   PRO   4          2HD       PRO   4  -1.294  -1.719  23.942
   31   2HD   PRO   4          1HD       PRO   4  -1.781  -1.850  25.637
   32    H    VAL   5           H        VAL   5  -6.270  -3.498  22.405
   33    HA   VAL   5           HA       VAL   5  -4.490  -5.267  20.826
   34    HB   VAL   5           HB       VAL   5  -7.354  -5.946  21.483
   35   1HG1  VAL   5          1HG2      VAL   5  -6.895  -8.003  20.627
   36   2HG1  VAL   5          2HG2      VAL   5  -5.478  -7.237  19.909
   37   3HG1  VAL   5          3HG2      VAL   5  -5.333  -8.101  21.440
   38   1HG2  VAL   5          1HG1      VAL   5  -6.645  -5.653  23.692
   39   2HG2  VAL   5          2HG1      VAL   5  -6.222  -7.345  23.429
   40   3HG2  VAL   5          3HG1      VAL   5  -4.976  -6.099  23.334
   41    H    ASP   6           H        ASP   6  -5.990  -2.657  20.204
   42    HA   ASP   6           HA       ASP   6  -8.181  -2.219  19.073
   43   1HB   ASP   6          2HB       ASP   6  -5.687  -2.157  17.396
   44   2HB   ASP   6          1HB       ASP   6  -7.224  -1.409  16.885
   45    HA   PRO   7           HA       PRO   7  -6.979  -5.257  15.688
   46   1HB   PRO   7          1HB       PRO   7  -7.147  -3.599  13.365
   47   2HB   PRO   7          2HB       PRO   7  -8.130  -5.023  13.693
   48   1HG   PRO   7          1HG       PRO   7  -8.955  -2.231  13.723
   49   2HG   PRO   7          2HG       PRO   7  -9.962  -3.654  13.953
   50   1HD   PRO   7          1HD       PRO   7  -9.010  -1.787  15.992
   51   2HD   PRO   7          2HD       PRO   7 -10.098  -3.168  16.209
   52    H    CYS   8           H        CYS   8  -6.818  -1.734  15.224
   53    HA   CYS   8           HA       CYS   8  -4.609  -1.933  13.529
   54   1HB   CYS   8          2HB       CYS   8  -5.629   0.161  13.331
   55   2HB   CYS   8          1HB       CYS   8  -5.915   0.289  15.067
   56    H    PHE   9           H        PHE   9  -4.676  -0.789  16.899
   57    HA   PHE   9           HA       PHE   9  -2.443   0.277  17.417
   58   1HB   PHE   9          1HB       PHE   9  -4.024  -0.622  19.170
   59   2HB   PHE   9          2HB       PHE   9  -3.169  -2.171  19.040
   60    HD1  PHE   9           HD1      PHE   9  -0.672  -2.289  19.611
   61    HD2  PHE   9           HD2      PHE   9  -3.152   1.188  20.489
   62    HE1  PHE   9           HE1      PHE   9   1.053  -1.475  21.252
   63    HE2  PHE   9           HE2      PHE   9  -1.429   2.006  22.130
   64    HZ   PHE   9           HZ       PHE   9   0.677   0.676  22.510
   65    H    ARG  10           H        ARG  10  -2.594  -2.947  17.406
   66    HA   ARG  10           HA       ARG  10   0.112  -3.617  17.961
   67   1HB   ARG  10          2HB       ARG  10  -2.209  -5.079  17.638
   68   2HB   ARG  10          1HB       ARG  10  -1.213  -5.695  16.306
   69   1HG   ARG  10          2HG       ARG  10   0.538  -5.532  18.524
   70   2HG   ARG  10          1HG       ARG  10  -0.948  -6.164  19.184
   71   1HD   ARG  10          1HD       ARG  10   0.412  -7.305  16.674
   72   2HD   ARG  10          2HD       ARG  10   0.621  -7.984  18.302
   73    HE   ARG  10           HE       ARG  10  -1.704  -8.247  16.589
   74   1HH1  ARG  10          2HH2      ARG  10  -0.209  -9.168  19.811
   75   2HH1  ARG  10          1HH2      ARG  10  -1.120 -10.576  19.373
   76   1HH2  ARG  10          1HH1      ARG  10  -3.452  -7.831  19.003
   77   2HH2  ARG  10          2HH1      ARG  10  -3.619  -9.552  18.900
   78    H    ALA  11           H        ALA  11  -0.639  -2.099  15.418
   79    HA   ALA  11           HA       ALA  11  -1.210  -4.013  13.674
   80   1HB   ALA  11          1HB       ALA  11  -1.082  -1.122  13.530
   81   2HB   ALA  11          2HB       ALA  11  -0.699  -1.799  11.944
   82   3HB   ALA  11          3HB       ALA  11  -2.213  -2.215  12.748
   83    H    ASN  12           H        ASN  12   2.267  -3.475  14.156
   84    HA   ASN  12           HA       ASN  12   2.262  -1.327  12.524
   85   1HB   ASN  12          1HB       ASN  12   4.298  -3.020  13.713
   86   2HB   ASN  12          2HB       ASN  12   4.834  -2.611  12.087
   87   1HD2  ASN  12          2HD2      ASN  12   4.808   0.024  11.591
   88   2HD2  ASN  12          1HD2      ASN  12   6.200   0.044  12.659
   89    H    CYS  13           H        CYS  13   0.691  -2.702  10.371
   90    HA   CYS  13           HA       CYS  13   1.474  -1.409   8.438
   91   1HB   CYS  13          1HB       CYS  13   0.727   0.267  10.898
   92   2HB   CYS  13          2HB       CYS  13   0.599   0.805   9.221
   93    H    GLU  14           H        GLU  14   3.476  -1.407   7.784
   94    HA   GLU  14           HA       GLU  14   5.680  -0.050   8.631
   95   1HB   GLU  14          1HB       GLU  14   5.741  -0.850   6.390
   96   2HB   GLU  14          2HB       GLU  14   4.261  -0.025   5.967
   97   1HG   GLU  14          1HG       GLU  14   5.340   2.044   5.637
   98   2HG   GLU  14          2HG       GLU  14   6.626   1.675   6.782
   99    H    TYR  15           H        TYR  15   3.540   1.863   6.475
  100    HA   TYR  15           HA       TYR  15   3.464   4.108   8.201
  101   1HB   TYR  15          2HB       TYR  15   2.550   3.639   5.709
  102   2HB   TYR  15          1HB       TYR  15   1.022   3.394   6.526
  103    HD1  TYR  15           HD1      TYR  15   3.725   5.769   5.621
  104    HD2  TYR  15           HD2      TYR  15  -0.063   5.347   7.749
  105    HE1  TYR  15           HE1      TYR  15   3.485   8.271   5.696
  106    HE2  TYR  15           HE2      TYR  15  -0.302   7.842   7.821
  107    HH   TYR  15           HH       TYR  15   0.598   9.833   7.176
  108    H    GLN  16           H        GLN  16   0.452   3.880   8.064
  109    HA   GLN  16           HA       GLN  16   0.264   2.443  10.666
  110   1HB   GLN  16          2HB       GLN  16  -0.012   5.127  10.332
  111   2HB   GLN  16          1HB       GLN  16  -1.685   4.646  10.090
  112   1HG   GLN  16          1HG       GLN  16  -1.656   3.457  12.297
  113   2HG   GLN  16          2HG       GLN  16   0.028   3.900  12.526
  114   1HE2  GLN  16          1HE2      GLN  16  -2.696   5.724  11.161
  115   2HE2  GLN  16          2HE2      GLN  16  -2.450   7.170  12.121
  116    H    CYS  17           H        CYS  17  -2.450   3.192  10.812
  117    HA   CYS  17           HA       CYS  17  -3.355   0.625   9.643
  118   1HB   CYS  17          1HB       CYS  17  -4.775   2.180  11.851
  119   2HB   CYS  17          2HB       CYS  17  -4.911   0.467  11.499
  120    H    GLN  18           H        GLN  18  -4.787   0.886   7.662
  121    HA   GLN  18           HA       GLN  18  -7.212   2.167   8.691
  122   1HB   GLN  18          2HB       GLN  18  -6.504   1.484   6.188
  123   2HB   GLN  18          1HB       GLN  18  -7.298  -0.024   6.634
  124   1HG   GLN  18          1HG       GLN  18  -9.270   0.950   6.063
  125   2HG   GLN  18          2HG       GLN  18  -9.115   1.938   7.510
  126   1HE2  GLN  18          1HE2      GLN  18  -7.181   3.822   6.987
  127   2HE2  GLN  18          2HE2      GLN  18  -6.848   4.052   5.281
  128    HA   PRO  19           HA       PRO  19  -7.684  -1.340  11.640
  129   1HB   PRO  19          1HB       PRO  19  -9.884   0.463  12.430
  130   2HB   PRO  19          2HB       PRO  19  -8.635  -0.288  13.424
  131   1HG   PRO  19          1HG       PRO  19  -8.591   2.386  12.704
  132   2HG   PRO  19          2HG       PRO  19  -7.123   1.447  13.043
  133   1HD   PRO  19          1HD       PRO  19  -8.152   2.404  10.425
  134   2HD   PRO  19          2HD       PRO  19  -6.504   1.934  10.886
  135    H    LEU  20           H        LEU  20  -9.240  -0.913   8.891
  136    HA   LEU  20           HA       LEU  20  -9.698  -3.515   9.066
  137   1HB   LEU  20          1HB       LEU  20 -11.291  -3.586  10.735
  138   2HB   LEU  20          2HB       LEU  20 -12.100  -2.131  10.190
  139    HG   LEU  20           HG       LEU  20 -12.317  -4.076   8.110
  140   1HD1  LEU  20          1HD1      LEU  20 -13.002  -6.054   9.072
  141   2HD1  LEU  20          2HD1      LEU  20 -11.853  -5.548  10.311
  142   3HD1  LEU  20          3HD1      LEU  20 -13.579  -5.273  10.545
  143   1HD2  LEU  20          1HD2      LEU  20 -13.889  -2.134   8.943
  144   2HD2  LEU  20          2HD2      LEU  20 -14.609  -3.584   8.243
  145   3HD2  LEU  20          3HD2      LEU  20 -14.572  -3.376   9.993
  146    H    ASN  21           H        ASN  21 -11.587  -1.098   8.570
  147    HA   ASN  21           HA       ASN  21 -13.532  -1.904   6.939
  148   1HB   ASN  21          1HB       ASN  21 -12.577   0.830   7.417
  149   2HB   ASN  21          2HB       ASN  21 -13.292   0.703   5.794
  150   1HD2  ASN  21           HD2      ASN  21 -14.440   2.206   7.984
  151    H    GLN  22           H        GLN  22 -13.706  -1.561   3.789
  152    HA   GLN  22           HA       GLN  22 -13.482  -3.577   5.858
  153   1HB   GLN  22          1HB       GLN  22 -15.098  -4.878   4.437
  154   2HB   GLN  22          2HB       GLN  22 -15.654  -3.252   4.750
  155   1HG   GLN  22          1HG       GLN  22 -14.454  -2.683   2.437
  156   2HG   GLN  22          2HG       GLN  22 -14.599  -4.416   2.160
  157   1HE2  GLN  22          2HE2      GLN  22 -15.961  -3.144   0.394
  158   2HE2  GLN  22          1HE2      GLN  22 -17.457  -2.371   0.883
  159    H    THR  23           H        THR  23 -11.024  -2.955   4.720
  160    HA   THR  23           HA       THR  23 -10.315  -5.383   3.422
  161    HB   THR  23           HB       THR  23  -8.414  -3.825   5.227
  162    HG1  THR  23           HG1      THR  23  -8.109  -2.625   3.170
  163   1HG2  THR  23          1HG2      THR  23  -7.966  -5.116   2.482
  164   2HG2  THR  23          2HG2      THR  23  -6.728  -4.368   3.491
  165   3HG2  THR  23          3HG2      THR  23  -7.518  -5.855   4.019
  166    H    SER  24           H        SER  24 -11.007  -4.554   6.497
  167    HA   SER  24           HA       SER  24 -10.416  -5.251   8.588
  168   1HB   SER  24          1HB       SER  24 -10.510  -7.539   9.134
  169   2HB   SER  24          2HB       SER  24 -11.674  -7.200   7.862
  170    HG   SER  24           HG       SER  24  -9.758  -8.968   7.873
  171    H    TYR  25           H        TYR  25  -8.605  -5.397   9.739
  172    HA   TYR  25           HA       TYR  25  -8.013  -3.226   8.163
  173   1HB   TYR  25          2HB       TYR  25  -6.743  -2.328  10.233
  174   2HB   TYR  25          1HB       TYR  25  -8.187  -3.221  10.714
  175    HD1  TYR  25           HD1      TYR  25  -4.592  -2.921  10.973
  176    HD2  TYR  25           HD2      TYR  25  -7.888  -5.753  11.340
  177    HE1  TYR  25           HE1      TYR  25  -3.125  -4.450  12.332
  178    HE2  TYR  25           HE2      TYR  25  -6.425  -7.281  12.704
  179    HH   TYR  25           HH       TYR  25  -3.241  -7.242  12.784
  180    H    LEU  26           H        LEU  26  -6.467  -2.163   7.591
  181    HA   LEU  26           HA       LEU  26  -4.501  -3.859   6.274
  182   1HB   LEU  26          2HB       LEU  26  -5.413  -3.012   4.370
  183   2HB   LEU  26          1HB       LEU  26  -6.700  -2.448   5.437
  184    HG   LEU  26           HG       LEU  26  -5.031  -0.346   5.674
  185   1HD1  LEU  26          1HD2      LEU  26  -3.507  -0.070   3.999
  186   2HD1  LEU  26          2HD2      LEU  26  -3.694  -1.799   3.694
  187   3HD1  LEU  26          3HD2      LEU  26  -4.630  -0.631   2.762
  188   1HD2  LEU  26          1HD1      LEU  26  -6.724  -0.507   3.171
  189   2HD2  LEU  26          2HD1      LEU  26  -7.498  -0.622   4.747
  190   3HD2  LEU  26          3HD1      LEU  26  -6.574   0.821   4.315
  191    H    CYS  27           H        CYS  27  -2.817  -1.942   5.017
  192    HA   CYS  27           HA       CYS  27  -2.188  -0.125   7.262
  193   1HB   CYS  27          1HB       CYS  27  -0.233  -2.076   6.042
  194   2HB   CYS  27          2HB       CYS  27   0.295  -0.662   6.971
  195    H    VAL  28           H        VAL  28  -0.968   1.750   6.782
  196    HA   VAL  28           HA       VAL  28  -2.997   2.454   4.928
  197    HB   VAL  28           HB       VAL  28  -1.055   4.063   6.595
  198   1HG1  VAL  28          1HG2      VAL  28  -1.763   5.796   5.248
  199   2HG1  VAL  28          2HG2      VAL  28  -3.263   4.974   4.803
  200   3HG1  VAL  28          3HG2      VAL  28  -3.145   5.810   6.355
  201   1HG2  VAL  28          1HG1      VAL  28  -2.992   2.491   7.643
  202   2HG2  VAL  28          2HG1      VAL  28  -2.535   4.042   8.391
  203   3HG2  VAL  28          3HG1      VAL  28  -3.961   3.933   7.378
  204    H    CYS  29           H        CYS  29   0.089   2.118   4.460
  205    HA   CYS  29           HA       CYS  29   1.462   4.324   4.076
  206   1HB   CYS  29          1HB       CYS  29   1.651   1.631   2.868
  207   2HB   CYS  29          2HB       CYS  29   2.465   2.801   1.876
  208    H    ALA  30           H        ALA  30   2.559   4.557   2.206
  209    HA   ALA  30           HA       ALA  30   1.427   7.043   1.896
  210   1HB   ALA  30          1HB       ALA  30   3.272   7.457  -0.070
  211   2HB   ALA  30          2HB       ALA  30   3.737   7.279   1.622
  212   3HB   ALA  30          3HB       ALA  30   3.856   5.903   0.526
  213    H    GLU  31           H        GLU  31  -0.665   7.102   0.924
  214    HA   GLU  31           HA       GLU  31  -1.456   4.933  -0.307
  215   1HB   GLU  31          1HB       GLU  31  -2.695   7.172   0.412
  216   2HB   GLU  31          2HB       GLU  31  -2.675   7.504  -1.300
  217   1HG   GLU  31          1HG       GLU  31  -3.586   4.903  -1.307
  218   2HG   GLU  31          2HG       GLU  31  -4.218   5.459   0.242
  219    H    GLY  32           H        GLY  32  -2.246   4.423  -2.524
  220   1HA   GLY  32          1HA       GLY  32  -0.954   3.190  -4.019
  221   2HA   GLY  32          2HA       GLY  32  -0.365   4.783  -4.585
  222    H    PHE  33           H        PHE  33   0.076   3.668  -1.234
  223    HA   PHE  33           HA       PHE  33   2.056   1.773  -2.261
  224   1HB   PHE  33          2HB       PHE  33   2.664   3.969  -0.300
  225   2HB   PHE  33          1HB       PHE  33   3.227   2.334   0.104
  226    HD1  PHE  33           HD1      PHE  33   4.031   5.307  -1.689
  227    HD2  PHE  33           HD2      PHE  33   4.501   0.975  -1.759
  228    HE1  PHE  33           HE1      PHE  33   6.130   5.560  -3.062
  229    HE2  PHE  33           HE2      PHE  33   6.588   1.221  -3.141
  230    HZ   PHE  33           HZ       PHE  33   7.410   3.513  -3.788
  231    H    ALA  34           H        ALA  34   0.515   0.271  -2.011
  232    HA   ALA  34           HA       ALA  34  -0.658  -0.025   0.691
  233   1HB   ALA  34          1HB       ALA  34  -1.994  -1.647  -1.349
  234   2HB   ALA  34          2HB       ALA  34  -2.656  -0.272  -0.465
  235   3HB   ALA  34          3HB       ALA  34  -1.782  -0.009  -1.974
  236    HA   PRO  35           HA       PRO  35   0.803  -4.291   1.117
  237   1HB   PRO  35          1HB       PRO  35  -1.720  -5.585   0.306
  238   2HB   PRO  35          2HB       PRO  35  -0.888  -5.650   1.855
  239   1HG   PRO  35          1HG       PRO  35  -3.235  -4.132   1.257
  240   2HG   PRO  35          2HG       PRO  35  -2.284  -4.041   2.735
  241   1HD   PRO  35          1HD       PRO  35  -2.481  -2.059   0.632
  242   2HD   PRO  35          2HD       PRO  35  -1.530  -1.943   2.120
  243    H    ILE  36           H        ILE  36   2.040  -3.579  -0.963
  244    HA   ILE  36           HA       ILE  36   2.228  -5.207  -3.010
  245    HB   ILE  36           HB       ILE  36   4.008  -4.087  -1.948
  246   1HG1  ILE  36          1HG1      ILE  36   4.393  -6.695  -2.936
  247   2HG1  ILE  36          2HG1      ILE  36   5.515  -5.379  -2.884
  248   1HG2  ILE  36          1HG2      ILE  36   5.013  -5.076   0.250
  249   2HG2  ILE  36          2HG2      ILE  36   3.540  -4.113   0.317
  250   3HG2  ILE  36          3HG2      ILE  36   3.431  -5.864   0.386
  251   1HD1  ILE  36          1HD1      ILE  36   5.069  -7.079  -0.421
  252   2HD1  ILE  36          2HD1      ILE  36   6.175  -7.603  -1.702
  253   3HD1  ILE  36          3HD1      ILE  36   6.464  -6.081  -0.835
  254    HA   PRO  37           HA       PRO  37   2.136  -9.809  -1.845
  255   1HB   PRO  37          2HB       PRO  37   4.973  -9.120  -2.546
  256   2HB   PRO  37          1HB       PRO  37   4.035 -10.529  -3.012
  257   1HG   PRO  37          1HG       PRO  37   4.466  -8.236  -4.626
  258   2HG   PRO  37          2HG       PRO  37   3.233  -9.455  -4.925
  259   1HD   PRO  37          1HD       PRO  37   2.806  -6.717  -4.140
  260   2HD   PRO  37          2HD       PRO  37   1.561  -7.966  -4.312
  261    H    HIS  38           H        HIS  38   5.088 -10.208  -0.644
  262    HA   HIS  38           HA       HIS  38   3.434 -11.701   0.624
  263   1HB   HIS  38          1HB       HIS  38   4.859 -11.503   2.845
  264   2HB   HIS  38          2HB       HIS  38   5.512 -12.242   1.377
  265    HD1  HIS  38           HD1      HIS  38   8.025 -11.610   2.332
  266    HD2  HIS  38           HD2      HIS  38   5.405  -8.429   1.382
  267    HE1  HIS  38           HE1      HIS  38   9.478  -9.493   2.200
  268    H    GLU  39           H        GLU  39   4.450  -9.326   2.571
  269    HA   GLU  39           HA       GLU  39   2.745 -10.236   4.570
  270   1HB   GLU  39          2HB       GLU  39   3.842  -7.404   4.710
  271   2HB   GLU  39          1HB       GLU  39   3.406  -8.427   6.087
  272   1HG   GLU  39          2HG       GLU  39   5.370  -9.727   4.297
  273   2HG   GLU  39          1HG       GLU  39   5.969  -8.215   4.972
  274    HA   PRO  40           HA       PRO  40  -1.009  -7.688   4.460
  275   1HB   PRO  40          1HB       PRO  40  -1.568  -8.617   7.136
  276   2HB   PRO  40          2HB       PRO  40  -2.390  -9.093   5.656
  277   1HG   PRO  40          1HG       PRO  40  -0.531 -10.665   7.240
  278   2HG   PRO  40          2HG       PRO  40  -1.397 -11.162   5.791
  279   1HD   PRO  40          1HD       PRO  40   1.423 -10.494   6.035
  280   2HD   PRO  40          2HD       PRO  40   0.565 -11.022   4.578
  281    H    HIS  41           H        HIS  41   1.659  -6.483   5.138
  282    HA   HIS  41           HA       HIS  41  -0.476  -4.614   5.796
  283   1HB   HIS  41          2HB       HIS  41   1.328  -3.016   6.842
  284   2HB   HIS  41          1HB       HIS  41   0.828  -4.392   7.826
  285    HD1  HIS  41           HD1      HIS  41   2.603  -6.759   6.992
  286    HD2  HIS  41           HD2      HIS  41   3.892  -2.730   6.995
  287    HE1  HIS  41           HE1      HIS  41   5.173  -6.822   7.043
  288    H    ARG  42           H        ARG  42   1.791  -5.450   3.685
  289    HA   ARG  42           HA       ARG  42   3.410  -3.222   4.338
  290   1HB   ARG  42          1HB       ARG  42   3.727  -5.348   2.268
  291   2HB   ARG  42          2HB       ARG  42   4.641  -3.897   1.961
  292   1HG   ARG  42          1HG       ARG  42   5.963  -4.095   3.856
  293   2HG   ARG  42          2HG       ARG  42   4.760  -5.053   4.728
  294   1HD   ARG  42          1HD       ARG  42   5.346  -7.065   3.451
  295   2HD   ARG  42          2HD       ARG  42   6.272  -6.120   2.273
  296    HE   ARG  42           HE       ARG  42   7.298  -7.195   4.645
  297   1HH1  ARG  42          2HH1      ARG  42   9.324  -5.542   2.493
  298   2HH1  ARG  42          1HH1      ARG  42   8.307  -4.140   2.515
  299   1HH2  ARG  42          1HH2      ARG  42   7.806  -4.525   5.898
  300   2HH2  ARG  42          2HH2      ARG  42   9.460  -4.729   5.428
  301    H    CYS  43           H        CYS  43   4.244  -1.423   3.049
  302    HA   CYS  43           HA       CYS  43   2.830  -0.993   0.557
  303   1HB   CYS  43          2HB       CYS  43   4.590   1.083   0.792
  304   2HB   CYS  43          1HB       CYS  43   2.968   0.938   1.485
  305    H    GLN  44           H        GLN  44   3.514  -1.812  -1.247
  306    HA   GLN  44           HA       GLN  44   5.908  -0.560  -2.043
  307   1HB   GLN  44          1HB       GLN  44   7.061  -2.519  -1.374
  308   2HB   GLN  44          2HB       GLN  44   5.909  -3.582  -2.136
  309   1HG   GLN  44          1HG       GLN  44   6.767  -2.120  -4.332
  310   2HG   GLN  44          2HG       GLN  44   8.200  -2.036  -3.324
  311   1HE2  GLN  44          2HE2      GLN  44   8.454  -4.470  -2.104
  312   2HE2  GLN  44          1HE2      GLN  44   7.583  -5.772  -2.893
  313    H    MET  45           H        MET  45   5.355   0.301  -3.893
  314    HA   MET  45           HA       MET  45   3.214   1.398  -3.862
  315   1HB   MET  45          1HB       MET  45   2.963  -0.836  -5.979
  316   2HB   MET  45          2HB       MET  45   1.813   0.471  -5.880
  317   1HG   MET  45          1HG       MET  45   4.579   1.476  -6.086
  318   2HG   MET  45          2HG       MET  45   4.084   0.454  -7.433
  319   1HE   MET  45          1HE       MET  45   4.328   3.267  -8.906
  320   2HE   MET  45          2HE       MET  45   3.933   1.573  -9.233
  321   3HE   MET  45          3HE       MET  45   2.791   2.850  -9.676
  322    H    PHE  46           H        PHE  46   0.331   0.578  -3.797
  323    HA   PHE  46           HA       PHE  46   1.137  -2.144  -4.631
  324   1HB   PHE  46          2HB       PHE  46  -0.174  -2.244  -2.469
  325   2HB   PHE  46          1HB       PHE  46  -1.535  -1.490  -3.283
  326    HD1  PHE  46           HD1      PHE  46  -3.229  -3.136  -3.443
  327    HD2  PHE  46           HD2      PHE  46   0.878  -4.147  -4.507
  328    HE1  PHE  46           HE1      PHE  46  -3.992  -5.400  -4.237
  329    HE2  PHE  46           HE2      PHE  46   0.115  -6.407  -5.309
  330    HZ   PHE  46           HZ       PHE  46  -2.320  -7.036  -5.170
  331    H    CYS  47           H        CYS  47   1.093  -1.789  -6.914
  332    HA   CYS  47           HA       CYS  47   0.008   0.813  -7.335
  333   1HB   CYS  47          2HB       CYS  47   1.368   0.891  -9.221
  334   2HB   CYS  47          1HB       CYS  47   2.146  -0.411  -8.354
  335    H    ASN  48           H        ASN  48  -1.506  -2.334  -7.970
  336    HA   ASN  48           HA       ASN  48  -3.731  -2.165  -7.391
  337   1HB   ASN  48          2HB       ASN  48  -3.087   0.328  -6.761
  338   2HB   ASN  48          1HB       ASN  48  -3.797   0.750  -8.317
  339   1HD2  ASN  48           HD2      ASN  48  -4.653   1.446  -5.612
  340    H    GLN  49           H        GLN  49  -6.083  -1.527  -9.112
  341    HA   GLN  49           HA       GLN  49  -4.955  -4.069  -8.902
  342   1HB   GLN  49          2HB       GLN  49  -7.124  -4.892  -9.359
  343   2HB   GLN  49          1HB       GLN  49  -7.480  -3.256  -8.863
  344   1HG   GLN  49          2HG       GLN  49  -7.597  -2.527 -11.246
  345   2HG   GLN  49          1HG       GLN  49  -7.175  -4.151 -11.777
  346   1HE2  GLN  49          1HE2      GLN  49  -9.597  -2.043 -11.295
  347   2HE2  GLN  49          2HE2      GLN  49 -10.960  -3.145 -11.240
  348    H    THR  50           H        THR  50  -4.406  -5.812 -11.157
  349    HA   THR  50           HA       THR  50  -2.528  -4.383  -9.770
  350    HB   THR  50           HB       THR  50  -0.837  -5.567 -11.486
  351    HG1  THR  50           HG1      THR  50  -2.510  -5.773 -13.000
  352   1HG2  THR  50          1HG2      THR  50  -2.762  -6.989  -9.594
  353   2HG2  THR  50          2HG2      THR  50  -1.066  -6.589  -9.322
  354   3HG2  THR  50          3HG2      THR  50  -1.499  -7.868 -10.457
  355    H    ALA  51           H        ALA  51  -3.093  -4.355 -13.267
  356    HA   ALA  51           HA       ALA  51  -0.993  -2.999 -14.130
  357   1HB   ALA  51          1HB       ALA  51  -2.953  -3.717 -15.570
  358   2HB   ALA  51          2HB       ALA  51  -2.319  -2.137 -16.028
  359   3HB   ALA  51          3HB       ALA  51  -3.807  -2.248 -15.087
  360    H    CYS  52           H        CYS  52  -0.571  -0.741 -14.782
  361    HA   CYS  52           HA       CYS  52  -0.396  -0.128 -11.935
  362   1HB   CYS  52          1HB       CYS  52   1.352  -1.258 -13.647
  363   2HB   CYS  52          2HB       CYS  52   1.898   0.400 -13.798
  364    HA   PRO  53           HA       PRO  53   1.749   3.484 -13.898
  365   1HB   PRO  53          2HB       PRO  53   0.820   4.459 -16.421
  366   2HB   PRO  53          1HB       PRO  53   2.259   3.481 -16.149
  367   1HG   PRO  53          2HG       PRO  53  -0.318   2.678 -17.276
  368   2HG   PRO  53          1HG       PRO  53   1.213   1.763 -17.225
  369   1HD   PRO  53          2HD       PRO  53  -1.148   1.280 -15.663
  370   2HD   PRO  53          1HD       PRO  53   0.436   0.482 -15.522
  371    H    ALA  54           H        ALA  54   0.241   3.960 -12.376
  372    HA   ALA  54           HA       ALA  54   0.687   6.017 -11.274
  373   1HB   ALA  54          1HB       ALA  54   2.597   7.014 -12.431
  374   2HB   ALA  54          2HB       ALA  54   1.911   6.668 -14.027
  375   3HB   ALA  54          3HB       ALA  54   2.532   5.375 -13.029
  376    H    ASP  55           H        ASP  55   0.965   8.511 -11.925
  377    HA   ASP  55           HA       ASP  55  -1.771   9.189 -12.567
  378   1HB   ASP  55          1HB       ASP  55  -1.271   9.310 -10.056
  379   2HB   ASP  55          2HB       ASP  55  -0.017  10.493 -10.420
  380    H    CYS  56           H        CYS  56   1.256  10.329 -13.334
  381    HA   CYS  56           HA       CYS  56   1.016  10.790 -15.769
  382   1HB   CYS  56          1HB       CYS  56   0.588   8.039 -14.599
  383   2HB   CYS  56          2HB       CYS  56   1.561   8.577 -15.930
  384    H    ASP  57           H        ASP  57  -0.980   8.841 -14.115
  385    HA   ASP  57           HA       ASP  57  -3.087   7.849 -14.312
  386   1HB   ASP  57          2HB       ASP  57  -4.122   9.418 -13.281
  387   2HB   ASP  57          1HB       ASP  57  -2.855  10.481 -13.547
  388    HA   PRO  58           HA       PRO  58  -5.982   8.514 -17.609
  389   1HB   PRO  58          2HB       PRO  58  -7.645   6.926 -15.849
  390   2HB   PRO  58          1HB       PRO  58  -7.233   6.596 -17.526
  391   1HG   PRO  58          2HG       PRO  58  -6.238   5.235 -15.173
  392   2HG   PRO  58          1HG       PRO  58  -5.826   4.910 -16.853
  393   1HD   PRO  58          2HD       PRO  58  -4.176   6.223 -14.838
  394   2HD   PRO  58          1HD       PRO  58  -3.741   5.839 -16.511
  395    H    ASN  59           H        ASN  59  -6.959   7.773 -14.103
  396    HA   ASN  59           HA       ASN  59  -7.662  10.477 -13.860
  397   1HB   ASN  59          2HB       ASN  59  -8.475   9.033 -11.653
  398   2HB   ASN  59          1HB       ASN  59  -9.449   9.310 -13.112
  399   1HD2  ASN  59          1HD2      ASN  59  -6.990   7.110 -11.758
  400   2HD2  ASN  59          2HD2      ASN  59  -7.933   5.659 -12.042
  401    H    THR  60           H        THR  60  -6.867   8.297 -11.623
  402    HA   THR  60           HA       THR  60  -4.849  10.112 -10.429
  403    HB   THR  60           HB       THR  60  -5.648   8.605  -8.302
  404    HG1  THR  60           HG1      THR  60  -8.021   8.698  -8.890
  405   1HG2  THR  60          1HG2      THR  60  -5.691  11.097  -8.481
  406   2HG2  THR  60          2HG2      THR  60  -7.217  10.479  -7.838
  407   3HG2  THR  60          3HG2      THR  60  -7.109  10.997  -9.524
  408    H    GLN  61           H        GLN  61  -5.390   7.252  -9.183
  409    HA   GLN  61           HA       GLN  61  -4.917   5.079  -9.899
  410   1HB   GLN  61          1HB       GLN  61  -3.726   5.575 -11.977
  411   2HB   GLN  61          2HB       GLN  61  -2.392   6.290 -11.191
  412   1HG   GLN  61          2HG       GLN  61  -1.353   4.249 -11.059
  413   2HG   GLN  61          1HG       GLN  61  -2.657   3.590 -10.130
  414   1HE2  GLN  61          1HE2      GLN  61  -2.958   4.823 -13.595
  415   2HE2  GLN  61          2HE2      GLN  61  -2.106   3.380 -14.112
  416    H    ALA  62           H        ALA  62  -3.493   6.881  -7.709
  417    HA   ALA  62           HA       ALA  62  -1.852   6.798  -6.209
  418   1HB   ALA  62          1HB       ALA  62  -2.642   5.162  -4.712
  419   2HB   ALA  62          2HB       ALA  62  -1.844   3.903  -5.656
  420   3HB   ALA  62          3HB       ALA  62  -3.483   4.411  -6.064
  421    H    SER  63           H        SER  63   0.378   7.295  -6.566
  422    HA   SER  63           HA       SER  63   1.206   6.295  -9.058
  423   1HB   SER  63          2HB       SER  63  -1.579   7.662  -8.956
  424   2HB   SER  63          1HB       SER  63  -0.672   7.487 -10.383
  425    HG   SER  63           HG       SER  63  -0.518   5.219  -9.086
  426    H    CYS  64           H        CYS  64   3.012   8.328  -7.831
  427    HA   CYS  64           HA       CYS  64   2.508   7.207 -10.455
  428   1HB   CYS  64          2HB       CYS  64   4.077   9.808 -10.201
  429   2HB   CYS  64          1HB       CYS  64   4.567   8.664 -11.412
  430    H    GLU  65           H        GLU  65   3.625   5.215  -9.122
  431    HA   GLU  65           HA       GLU  65   4.629   6.894  -7.041
  432   1HB   GLU  65          1HB       GLU  65   3.056   4.775  -6.942
  433   2HB   GLU  65          2HB       GLU  65   4.549   3.910  -6.669
  434   1HG   GLU  65          2HG       GLU  65   3.912   4.450  -4.475
  435   2HG   GLU  65          1HG       GLU  65   4.978   5.804  -4.840
  436    H    CYS  66           H        CYS  66   5.801   3.901  -7.893
  437    HA   CYS  66           HA       CYS  66   8.036   3.998  -6.402
  438   1HB   CYS  66          1HB       CYS  66   8.197   2.273  -8.812
  439   2HB   CYS  66          2HB       CYS  66   8.160   1.852  -7.093
  440    HA   PRO  67           HA       PRO  67  10.129   2.740  -6.623
  441   1HB   PRO  67          1HB       PRO  67  12.703   2.093  -7.808
  442   2HB   PRO  67          2HB       PRO  67  11.295   1.044  -7.588
  443   1HG   PRO  67          2HG       PRO  67  12.292   2.200 -10.063
  444   2HG   PRO  67          1HG       PRO  67  10.975   1.059  -9.839
  445   1HD   PRO  67          2HD       PRO  67  10.779   3.919 -10.410
  446   2HD   PRO  67          1HD       PRO  67   9.462   2.750 -10.273
  447    H    GLU  68           H        GLU  68  12.811   3.259  -5.436
  448    HA   GLU  68           HA       GLU  68  14.310   5.252  -6.326
  449   1HB   GLU  68          2HB       GLU  68  14.727   2.291  -6.358
  450   2HB   GLU  68          1HB       GLU  68  15.853   3.191  -7.346
  451   1HG   GLU  68          2HG       GLU  68  15.345   4.234  -4.565
  452   2HG   GLU  68          1HG       GLU  68  16.296   2.759  -4.716
  453    H    GLY  69           H        GLY  69  14.998   6.260  -8.170
  454   1HA   GLY  69          1HA       GLY  69  14.006   7.284 -10.004
  455   2HA   GLY  69          2HA       GLY  69  14.522   5.759 -10.788
  456    H    TYR  70           H        TYR  70  11.251   5.120  -8.698
  457    HA   TYR  70           HA       TYR  70  10.539   7.210  -7.999
  458   1HB   TYR  70          2HB       TYR  70  12.990   6.565  -7.036
  459   2HB   TYR  70          1HB       TYR  70  13.479   7.965  -7.963
  460    HD1  TYR  70           HD1      TYR  70  13.958   9.654  -6.397
  461    HD2  TYR  70           HD2      TYR  70  10.281   7.343  -6.008
  462    HE1  TYR  70           HE1      TYR  70  13.206  11.166  -4.530
  463    HE2  TYR  70           HE2      TYR  70   9.529   8.850  -4.139
  464    HH   TYR  70           HH       TYR  70  11.195  10.599  -2.351
  465    H    ILE  71           H        ILE  71  12.142  10.112  -8.671
  466    HA   ILE  71           HA       ILE  71   9.548   9.610  -7.980
  467    HB   ILE  71           HB       ILE  71  10.477  12.100  -9.483
  468   1HG1  ILE  71          1HG1      ILE  71  10.447  12.049  -6.497
  469   2HG1  ILE  71          2HG1      ILE  71  11.748  11.193  -7.284
  470   1HG2  ILE  71          1HG2      ILE  71   8.426  12.945  -9.109
  471   2HG2  ILE  71          2HG2      ILE  71   8.629  12.715  -7.373
  472   3HG2  ILE  71          3HG2      ILE  71   7.927  11.430  -8.358
  473   1HD1  ILE  71          1HD1      ILE  71  12.816  13.202  -7.489
  474   2HD1  ILE  71          2HD1      ILE  71  11.371  14.088  -7.002
  475   3HD1  ILE  71          3HD1      ILE  71  11.606  13.647  -8.693
  476    H    LEU  72           H        LEU  72   9.294   7.893  -9.698
  477    HA   LEU  72           HA       LEU  72   9.192   8.445 -12.275
  478   1HB   LEU  72          2HB       LEU  72   8.532   6.166 -10.879
  479   2HB   LEU  72          1HB       LEU  72   6.954   6.654 -11.399
  480    HG   LEU  72           HG       LEU  72   8.704   5.082 -12.783
  481   1HD1  LEU  72          1HD1      LEU  72   6.026   5.866 -12.948
  482   2HD1  LEU  72          2HD1      LEU  72   6.831   4.698 -13.992
  483   3HD1  LEU  72          3HD1      LEU  72   6.701   6.388 -14.486
  484   1HD2  LEU  72          1HD2      LEU  72  10.022   7.050 -13.468
  485   2HD2  LEU  72          2HD2      LEU  72   8.567   7.780 -14.154
  486   3HD2  LEU  72          3HD2      LEU  72   9.217   6.290 -14.859
  487    H    ASP  73           H        ASP  73   6.393   7.553 -13.115
  488    HA   ASP  73           HA       ASP  73   5.464  10.027 -13.971
  489   1HB   ASP  73          2HB       ASP  73   8.436   9.754 -13.952
  490   2HB   ASP  73          1HB       ASP  73   7.752  10.374 -15.464
  491    H    ASP  74           H        ASP  74   4.670   7.774 -14.371
  492    HA   ASP  74           HA       ASP  74   3.459   6.861 -16.214
  493   1HB   ASP  74          2HB       ASP  74   3.281   9.512 -16.289
  494   2HB   ASP  74          1HB       ASP  74   4.477   9.437 -17.574
  495    H    GLY  75           H        GLY  75   6.305   5.861 -16.172
  496   1HA   GLY  75          1HA       GLY  75   4.489   4.203 -16.534
  497   2HA   GLY  75          2HA       GLY  75   4.671   4.529 -18.266
  498    H    PHE  76           H        PHE  76   5.590   2.982 -15.690
  499    HA   PHE  76           HA       PHE  76   8.188   1.908 -16.554
  500   1HB   PHE  76          2HB       PHE  76   7.985   4.563 -15.613
  501   2HB   PHE  76          1HB       PHE  76   8.546   3.700 -14.197
  502    HD1  PHE  76           HD1      PHE  76  10.864   3.160 -13.948
  503    HD2  PHE  76           HD2      PHE  76   9.269   4.140 -17.886
  504    HE1  PHE  76           HE1      PHE  76  13.195   3.130 -14.897
  505    HE2  PHE  76           HE2      PHE  76  11.598   4.109 -18.839
  506    HZ   PHE  76           HZ       PHE  76  13.562   3.605 -17.344
  507    H    ILE  77           H        ILE  77   5.745   1.305 -14.748
  508    HA   ILE  77           HA       ILE  77   6.667   3.036 -12.921
  509    HB   ILE  77           HB       ILE  77   4.147   1.585 -12.375
  510   1HG1  ILE  77          1HG1      ILE  77   3.674   3.875 -13.644
  511   2HG1  ILE  77          2HG1      ILE  77   5.202   3.588 -14.337
  512   1HG2  ILE  77          1HG2      ILE  77   3.608   3.691 -11.279
  513   2HG2  ILE  77          2HG2      ILE  77   5.025   4.467 -11.954
  514   3HG2  ILE  77          3HG2      ILE  77   5.238   3.280 -10.671
  515   1HD1  ILE  77          1HD1      ILE  77   4.177   1.088 -14.776
  516   2HD1  ILE  77          2HD1      ILE  77   3.917   2.390 -15.934
  517   3HD1  ILE  77          3HD1      ILE  77   2.663   1.964 -14.772
  518    H    CYS  78           H        CYS  78   5.285   0.245 -12.131
  519    HA   CYS  78           HA       CYS  78   7.439  -0.720 -10.319
  520   1HB   CYS  78          2HB       CYS  78   4.610  -0.286  -9.555
  521   2HB   CYS  78          1HB       CYS  78   5.161  -1.900  -9.151
  522    H    THR  79           H        THR  79   4.257  -2.463 -11.602
  523    HA   THR  79           HA       THR  79   5.166  -1.140 -13.762
  524    HB   THR  79           HB       THR  79   7.311  -2.465 -13.550
  525    HG1  THR  79           HG1      THR  79   6.849  -3.415 -15.835
  526   1HG2  THR  79          1HG2      THR  79   5.619  -4.851 -14.452
  527   2HG2  THR  79          2HG2      THR  79   6.198  -4.639 -12.799
  528   3HG2  THR  79          3HG2      THR  79   7.350  -4.850 -14.119
  529    H    ASP  80           H        ASP  80   2.720  -1.270 -14.464
  530    HA   ASP  80           HA       ASP  80   1.950  -2.504 -16.449
  531   1HB   ASP  80          2HB       ASP  80   2.985  -1.033 -18.124
  532   2HB   ASP  80          1HB       ASP  80   2.772  -0.114 -16.625
  533    H    ILE  81           H        ILE  81   2.316  -4.634 -16.437
  534    HA   ILE  81           HA       ILE  81   4.531  -5.987 -15.977
  535    HB   ILE  81           HB       ILE  81   3.389  -7.356 -18.262
  536   1HG1  ILE  81          2HG1      ILE  81   1.302  -6.405 -16.273
  537   2HG1  ILE  81          1HG1      ILE  81   1.458  -5.805 -17.907
  538   1HG2  ILE  81          1HG2      ILE  81   2.485  -8.466 -15.775
  539   2HG2  ILE  81          2HG2      ILE  81   4.138  -7.894 -15.553
  540   3HG2  ILE  81          3HG2      ILE  81   3.768  -9.046 -16.835
  541   1HD1  ILE  81          1HD1      ILE  81   0.495  -8.507 -16.968
  542   2HD1  ILE  81          2HD1      ILE  81   1.332  -8.437 -18.519
  543   3HD1  ILE  81          3HD1      ILE  81  -0.131  -7.488 -18.264
  544    H    ASP  82           H        ASP  82   6.675  -5.284 -16.819
  545    HA   ASP  82           HA       ASP  82   7.234  -6.418 -19.334
  546   1HB   ASP  82          2HB       ASP  82   8.941  -5.763 -17.506
  547   2HB   ASP  82          1HB       ASP  82   8.531  -7.262 -16.679
  548    H    GLU  83           H        GLU  83   5.328  -8.202 -16.604
  549    HA   GLU  83           HA       GLU  83   7.951  -9.555 -16.894
  550   1HB   GLU  83          1HB       GLU  83   7.338  -7.548 -15.076
  551   2HB   GLU  83          2HB       GLU  83   6.968  -8.966 -14.125
  552   1HG   GLU  83          1HG       GLU  83   9.572  -9.072 -15.611
  553   2HG   GLU  83          2HG       GLU  83   9.484  -7.902 -14.298
  554    H1   NAG 121           H1       ASN  21 -15.444   0.225   9.816
  555    H2   NAG 121           H2       ASN  21 -15.390   3.256   9.708
  556    H3   NAG 121           H3       ASN  21 -16.539   2.858  12.135
  557    H4   NAG 121           H4       ASN  21 -18.557   1.411  11.787
  558    H5   NAG 121           H5       ASN  21 -17.805  -0.495   9.969
  559   1H6   NAG 121          1H6       ASN  21 -20.062   0.106   9.862
  560   2H6   NAG 121          2H6       ASN  21 -19.479   0.878   8.388
  561   1H8   NAG 121          1H8       ASN  21 -13.153   0.369  10.056
  562   2H8   NAG 121          2H8       ASN  21 -12.552  -0.274  11.597
  563   3H8   NAG 121          3H8       ASN  21 -14.021  -0.950  10.867
  564    HN2  NAG 121           HN2      ASN  21 -13.735   2.871  11.219
  565    HO4  NAG 121           HO4      ASN  21 -17.355  -0.533  11.969
  566    HO3  NAG 121           HO3      ASN  21 -18.061   3.968  11.312
  567    HO6  NAG 121           H6       ASN  21 -19.125   2.737   9.752
  568    H1   NAG 148           H1       ASN  48  -6.736  -0.287  -4.810
  569    H2   NAG 148           H2       ASN  48  -6.307   2.708  -4.345
  570    H3   NAG 148           H3       ASN  48  -8.175   0.991  -2.686
  571    H4   NAG 148           H4       ASN  48  -9.198   2.867  -4.837
  572    H5   NAG 148           H5       ASN  48  -8.974  -0.165  -5.044
  573   1H6   NAG 148          1H6       ASN  48 -10.470  -0.045  -6.761
  574   2H6   NAG 148          2H6       ASN  48  -9.591   1.288  -7.509
  575   1H8   NAG 148          1H8       ASN  48  -2.830   2.168  -3.621
  576   2H8   NAG 148          2H8       ASN  48  -2.743   1.773  -1.892
  577   3H8   NAG 148          3H8       ASN  48  -3.355   0.572  -3.049
  578    HN2  NAG 148           HN2      ASN  48  -5.724   0.373  -2.629
  579    HO4  NAG 148           HO4      ASN  48 -10.875   2.453  -3.817
  580    HO3  NAG 148           HO3      ASN  48  -8.697   2.832  -1.871
  581    HO6  NAG 148           H6       ASN  48 -11.718   1.291  -5.788