*HEADER    HYDROLASE INHIBITOR                     27-SEP-02   1MVZ              
*TITLE     NMR SOLUTION STRUCTURE OF A BOWMAN BIRK INHIBITOR ISOLATED            
*TITLE    2 FROM SNAIL MEDIC SEEDS (MEDICAGO SCUTELLATA)                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BOWMAN-BIRK TYPE PROTEASE INHIBITOR, (MSTI);               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MSTI                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MEDICAGO SCUTELLATA;                            
*SOURCE   3 ORGANISM_COMMON: SNAIL MEDIC;                                        
*SOURCE   4 TISSUE: SEEDS                                                        
*KEYWDS    SERINE PROTEASE INHIBITOR, THREE STRANDED BETA-SHEET, VIB             
*KEYWDS   2 TYPE TURN                                                            
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    M.CATALANO, L.RAGONA, H.MOLINARI, A.TAVA, L.ZETTA                     
*REVDAT   1   22-APR-03 1MVZ    0                                              

!BIOSYM restraint 1
!
#NOE_distance
1:THRN_1:HA       1:THRN_1:HB    1.800     2.400    10.000    10.000    10.000   100.000  0.00
1:THRN_1:HA       1:THRN_1:HG2*    1.800     3.430    10.000    10.000    10.000   100.000  0.00
1:SER_3:HA       1:THR_4:HN    1.800     3.110    10.000    10.000    10.000   100.000  0.00
1:SER_3:HB1       1:THR_4:HN    1.800     4.880    10.000    10.000    10.000   100.000  0.00
1:SER_3:HB2       1:THR_4:HN    1.800     4.880    10.000    10.000    10.000   100.000  0.00
1:THR_4:HN       1:THR_4:HB    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:THR_4:HA       1:THR_4:HB    1.800     2.870    10.000    10.000    10.000   100.000  0.00
1:THR_4:HA       1:THR_5:HN    1.800     2.930    10.000    10.000    10.000   100.000  0.00
1:THR_4:HG2*       1:THR_5:HN    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:THR_5:HN       1:THR_5:HB    1.800     3.580    10.000    10.000    10.000   100.000  0.00
1:THR_5:HN       1:THR_5:HG2*    1.800     4.920    10.000    10.000    10.000   100.000  0.00
1:THR_5:HN       1:THR_6:HN    1.800     3.900    10.000    10.000    10.000   100.000  0.00
1:THR_5:HA       1:THR_5:HB    1.800     2.830    10.000    10.000    10.000   100.000  0.00
1:THR_5:HA       1:THR_6:HN    1.800     2.870    10.000    10.000    10.000   100.000  0.00
1:THR_6:HN       1:THR_6:HA    1.800     2.930    10.000    10.000    10.000   100.000  0.00
1:THR_6:HN       1:THR_6:HB    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:THR_6:HN       1:THR_6:HG2*    1.800     4.730    10.000    10.000    10.000   100.000  0.00
1:THR_6:HA       1:THR_6:HB    1.800     2.400    10.000    10.000    10.000   100.000  0.00
1:THR_6:HA       1:THR_6:HG2*    1.800     3.430    10.000    10.000    10.000   100.000  0.00
1:THR_6:HA       1:ALA_7:HN    1.800     2.400    10.000    10.000    10.000   100.000  0.00
1:THR_6:HB       1:ALA_7:HN    1.800     3.140    10.000    10.000    10.000   100.000  0.00
1:THR_6:HG2*       1:ALA_7:HN    1.800     4.570    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HN       1:ALA_7:HB*    1.800     3.490    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HA       1:CYS_8:HN    1.800     2.520    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:CYS_8:HN    1.800     4.360    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HA       1:HIS+_32:HB1    1.800     5.220    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HA       1:HIS+_32:HB2    1.800     5.220    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HA       1:HIS+_32:HB*    1.800     4.630    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HA       1:HIS+_32:HD2    1.800     5.000    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HA       1:ALA_34:HN    1.800     3.730    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:HIS+_32:HB1    1.800     6.400    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:HIS+_32:HB2    1.800     6.400    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:HIS+_32:HB*    1.800     6.000    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:HIS+_32:HD2    1.800     6.600    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:HIS+_32:HE1    1.800     5.700    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:SER_33:HN    1.800     5.320    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:ALA_34:HN    1.800     4.570    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:ALA_34:HB*    1.800     5.910    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:TYR_58:HB*    1.800     7.400    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:TYR_58:HD*    1.800     6.900    10.000    10.000    10.000   100.000  0.00
1:ALA_7:HB*       1:TYR_58:HE*    1.800     6.860    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HN       1:CYS_8:HB1    1.800     4.010    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HN       1:CYS_8:HB2    1.800     4.010    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HN       1:CYS_8:HB*    1.800     3.810    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HN       1:HIS+_32:HB1    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HN       1:HIS+_32:HB2    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HN       1:HIS+_32:HB*    1.800     3.820    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HN       1:HIS+_32:HA    1.800     4.800    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:CYS_9:HN    1.800     2.650    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:CYS_9:HB1    1.800     4.660    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:CYS_9:HB2    1.800     4.660    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:CYS_9:HB*    1.800     4.470    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:TYR_58:HN    1.800     5.200    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:TYR_58:HB1    1.800     4.320    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:TYR_58:HB2    1.800     4.320    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:TYR_58:HB*    1.800     3.860    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:TYR_58:HD*    1.800     7.300    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:PRO_59:HD*    1.800     5.540    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HA       1:CYS_61:HN    1.800     5.200    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB1       1:CYS_61:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB1       1:CYS_61:HA    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB2       1:CYS_61:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB2       1:CYS_61:HA    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB*       1:CYS_61:HN    1.800     5.170    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB*       1:CYS_61:HA    1.800     3.280    10.000    10.000    10.000   100.000  0.00
1:CYS_8:CB       1:CYS_61:SG    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_8:SG       1:CYS_61:CB    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_8:SG       1:CYS_61:SG    1.800     2.100    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB1       1:CYS_9:HN    1.800     3.210    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB2       1:CYS_9:HN    1.800     3.210    10.000    10.000    10.000   100.000  0.00
1:CYS_8:HB*       1:CYS_9:HN    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HN       1:CYS_9:HB1    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HN       1:CYS_9:HB2    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HN       1:CYS_9:HB*    1.800     3.250    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HN       1:TYR_58:HB*    1.800     5.380    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HN       1:TYR_58:HD*    1.800     7.640    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HN       1:CYS_61:HA    1.800     4.000    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB1       1:TYR_58:HB1    1.800     7.070    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB1       1:TYR_58:HB2    1.800     7.070    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB1       1:TYR_58:HD*    1.800     7.640    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB2       1:TYR_58:HB1    1.800     7.070    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB2       1:TYR_58:HB2    1.800     7.070    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB2       1:TYR_58:HD*    1.800     7.640    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB*       1:TYR_58:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB*       1:TYR_58:HB*    1.800     5.990    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB*       1:TYR_58:HD*    1.800     7.250    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HA       1:ASP_10:HN    1.800     2.620    10.000    10.000    10.000   100.000  0.00
1:CYS_9:CB       1:CYS_24:SG    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_9:SG       1:CYS_24:CB    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_9:SG       1:CYS_24:SG    1.800     2.100    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB2       1:ASP_10:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB1       1:ASP_10:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:CYS_9:HB*       1:ASP_10:HN    1.800     4.000    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HA       1:SER_60:HB1    1.800     4.600    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HA       1:SER_60:HB2    1.800     4.600    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HA       1:CYS_61:HN    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HN       1:ASP_10:HB1    1.800     3.390    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HN       1:ASP_10:HB2    1.800     3.390    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HN       1:ASP_10:HB*    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HN       1:PHE_11:HN    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HB1       1:PHE_11:HN    1.800     3.950    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HB2       1:PHE_11:HN    1.800     3.950    10.000    10.000    10.000   100.000  0.00
1:ASP_10:HB*       1:PHE_11:HN    1.800     3.680    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HN       1:PHE_11:HB1    1.800     3.550    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HN       1:PHE_11:HB2    1.800     3.550    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HD*       1:THR_25:HG2*    1.800     8.430    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HE*       1:THR_25:HG2*    1.800     8.850    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HN       1:THR_25:HN    1.800     4.460    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HA       1:CYS_12:HN    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HB1       1:CYS_12:HN    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HB2       1:CYS_12:HN    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:PHE_11:HB*       1:CYS_12:HN    1.800     3.900    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HN       1:CYS_12:HB1    1.800     3.610    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HN       1:CYS_12:HB2    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HN       1:CYS_12:HB*    1.800     3.410    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HA       1:PRO_13:HD*    1.800     3.500    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HA       1:CYS_24:HA    1.800     3.600    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HA       1:THR_25:HN    1.800     4.650    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HA       1:THR_25:HG2*    1.800     6.100    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HB1       1:CYS_24:HA    1.800     6.000    10.000    10.000    10.000   100.000  0.00
1:CYS_12:HB2       1:CYS_24:HA    1.800     6.000    10.000    10.000    10.000   100.000  0.00
1:CYS_12:CB       1:CYS_57:SG    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_12:SG       1:CYS_57:CB    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_12:SG       1:CYS_57:SG    1.800     2.100    10.000    10.000    10.000   100.000  0.00
1:PRO_13:HG*       1:GLN_23:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:PRO_13:HD*       1:GLN_23:HN    1.800     6.800    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HN       1:CYS_14:HB1    1.800     3.580    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HN       1:CYS_14:HB2    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HN       1:CYS_14:HB*    1.800     3.280    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HA       1:THR_15:HN    1.800     2.650    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HA       1:THR_15:HG2*    1.800     6.160    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HA       1:CYS_22:HA    1.800     2.710    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HA       1:CYS_22:HB1    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HA       1:CYS_22:HB2    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HA       1:GLN_23:HN    1.800     3.210    10.000    10.000    10.000   100.000  0.00
1:CYS_14:CB       1:CYS_22:SG    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HB1       1:THR_15:HN    1.800     3.580    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HB2       1:THR_15:HN    1.800     3.580    10.000    10.000    10.000   100.000  0.00
1:CYS_14:HB*       1:THR_15:HN    1.800     3.540    10.000    10.000    10.000   100.000  0.00
1:CYS_14:SG       1:CYS_22:CB    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_14:SG       1:CYS_22:SG    1.800     2.100    10.000    10.000    10.000   100.000  0.00
1:THR_15:HN       1:THR_15:HB    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:THR_15:HN       1:THR_15:HG2*    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:THR_15:HN       1:GLN_21:HN    1.800     3.600    10.000    10.000    10.000   100.000  0.00
1:THR_15:HN       1:PRO_20:HA    1.800     4.400    10.000    10.000    10.000   100.000  0.00
1:THR_15:HN       1:GLN_21:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:THR_15:N       1:GLN_21:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:THR_15:HG2*       1:GLN_21:HN    1.800     5.130    10.000    10.000    10.000   100.000  0.00
1:THR_15:HG2*       1:GLN_21:HB1    1.800     5.910    10.000    10.000    10.000   100.000  0.00
1:THR_15:HG2*       1:GLN_21:HB2    1.800     5.910    10.000    10.000    10.000   100.000  0.00
1:THR_15:HG2*       1:GLN_21:HB*    1.800     5.300    10.000    10.000    10.000   100.000  0.00
1:THR_15:HG2*       1:GLN_21:HG*    1.800     7.060    10.000    10.000    10.000   100.000  0.00
1:THR_15:HG2*       1:GLN_21:HE2*    1.800     6.250    10.000    10.000    10.000   100.000  0.00
1:THR_15:HN       1:CYS_22:HA    1.800     3.500    10.000    10.000    10.000   100.000  0.00
1:THR_15:HA       1:THR_15:HB    1.800     2.650    10.000    10.000    10.000   100.000  0.00
1:THR_15:HA       1:THR_15:HG2*    1.800     3.430    10.000    10.000    10.000   100.000  0.00
1:THR_15:HA       1:ARG_16:HN    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:THR_15:HB       1:ARG_16:HN    1.800     2.770    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HN       1:ARG_16:HA    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HN       1:ARG_16:HB*    1.800     3.720    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HN       1:ARG_16:HG1    1.800     4.070    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HN       1:ARG_16:HG2    1.800     4.070    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HN       1:ARG_16:HG*    1.800     3.500    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HN       1:SER_17:HN    1.800     3.110    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HA       1:ARG_16:HG1    1.800     3.760    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HA       1:ARG_16:HG2    1.800     3.760    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HA       1:ARG_16:HD*    1.800     6.040    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HA       1:SER_17:HN    1.800     3.200    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HB1       1:SER_17:HN    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HB2       1:SER_17:HN    1.800     4.400    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HG1       1:SER_17:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HG2       1:SER_17:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:ARG_16:HG*       1:SER_17:HN    1.800     5.020    10.000    10.000    10.000   100.000  0.00
1:SER_17:HN       1:SER_17:HA    1.800     2.910    10.000    10.000    10.000   100.000  0.00
1:SER_17:HN       1:SER_17:HB1    1.800     3.330    10.000    10.000    10.000   100.000  0.00
1:SER_17:HN       1:SER_17:HB2    1.800     3.330    10.000    10.000    10.000   100.000  0.00
1:SER_17:HN       1:SER_17:HB*    1.800     3.040    10.000    10.000    10.000   100.000  0.00
1:SER_17:HA       1:SER_17:HB1    1.800     2.800    10.000    10.000    10.000   100.000  0.00
1:SER_17:HA       1:SER_17:HB2    1.800     2.520    10.000    10.000    10.000   100.000  0.00
1:SER_17:HA       1:ILE_18:HN    1.800     2.590    10.000    10.000    10.000   100.000  0.00
1:SER_17:HN       1:PRO_20:HA    1.800     3.500    10.000    10.000    10.000   100.000  0.00
1:SER_17:HB1       1:ILE_18:HN    1.800     3.270    10.000    10.000    10.000   100.000  0.00
1:SER_17:HB2       1:ILE_18:HN    1.800     3.270    10.000    10.000    10.000   100.000  0.00
1:SER_17:HB*       1:ILE_18:HN    1.800     2.990    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HN       1:ILE_18:HB    1.800     2.960    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HN       1:ILE_18:HG1*    1.800     5.200    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HN       1:ILE_18:HD1*    1.800     5.410    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HN       1:PRO_19:HA    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HA       1:ILE_18:HG1*    1.800     3.490    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HA       1:ILE_18:HD1*    1.800     3.950    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HA       1:PRO_19:HA    1.800     2.490    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HA       1:PRO_19:HB1    1.800     4.570    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HA       1:PRO_19:HB2    1.800     4.320    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HB       1:ILE_18:HD1*    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HB       1:PRO_19:HA    1.800     4.500    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HG2*       1:PRO_19:HA    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:ILE_18:HD1*       1:PRO_19:HA    1.800     4.080    10.000    10.000    10.000   100.000  0.00
1:PRO_19:HA       1:PRO_20:HD1    1.800     2.930    10.000    10.000    10.000   100.000  0.00
1:PRO_19:HA       1:PRO_20:HD2    1.800     2.930    10.000    10.000    10.000   100.000  0.00
1:PRO_20:HA       1:GLN_21:HN    1.800     2.560    10.000    10.000    10.000   100.000  0.00
1:PRO_20:HB1       1:GLN_21:HE21    1.800     6.860    10.000    10.000    10.000   100.000  0.00
1:PRO_20:HB1       1:GLN_21:HE22    1.800     6.860    10.000    10.000    10.000   100.000  0.00
1:PRO_20:HB2       1:GLN_21:HE21    1.800     6.860    10.000    10.000    10.000   100.000  0.00
1:PRO_20:HB2       1:GLN_21:HE22    1.800     6.860    10.000    10.000    10.000   100.000  0.00
1:PRO_20:HB*       1:GLN_21:HE2*    1.800     5.660    10.000    10.000    10.000   100.000  0.00
1:PRO_20:HG*       1:GLN_21:HE2*    1.800     7.150    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HN       1:GLN_21:HB1    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HN       1:GLN_21:HB2    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HN       1:GLN_21:HB*    1.800     3.200    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HN       1:GLN_21:HG*    1.800     6.100    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HN       1:THR_15:OG1    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:GLN_21:N       1:THR_15:OG1    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HA       1:CYS_22:HN    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HA       1:ILE_53:HG2*    1.800     4.260    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB1       1:ILE_53:HG2*    1.800     5.160    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB2       1:ILE_53:HG2*    1.800     5.160    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB*       1:ILE_53:HG2*    1.800     4.630    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HG*       1:ILE_53:HG2*    1.800     5.360    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HG*       1:ILE_53:HD1*    1.800     6.500    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HE2*       1:ILE_53:HG2*    1.800     6.250    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB1       1:GLN_21:HE21    1.800     5.380    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB1       1:GLN_21:HE22    1.800     5.380    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB1       1:CYS_22:HN    1.800     4.850    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB2       1:GLN_21:HE21    1.800     5.380    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB2       1:GLN_21:HE22    1.800     5.380    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB2       1:CYS_22:HN    1.800     4.850    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB*       1:GLN_21:HE2*    1.800     4.260    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HB*       1:CYS_22:HN    1.800     4.510    10.000    10.000    10.000   100.000  0.00
1:GLN_21:HG*       1:CYS_22:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HN       1:CYS_22:HB1    1.800     4.010    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HN       1:CYS_22:HB2    1.800     4.010    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HN       1:CYS_22:HB*    1.800     3.850    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HN       1:THR_54:HN    1.800     4.450    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HN       1:THR_54:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:CYS_22:N       1:THR_54:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HN       1:ASP_55:HA    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HA       1:GLN_23:HN    1.800     2.560    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HB1       1:GLN_23:HN    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HB2       1:GLN_23:HN    1.800     3.600    10.000    10.000    10.000   100.000  0.00
1:CYS_22:HB*       1:GLN_23:HN    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HN       1:GLN_23:HB1    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HN       1:GLN_23:HB2    1.800     3.860    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HN       1:GLN_23:HB*    1.800     3.500    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HN       1:GLN_23:HG1    1.800     4.570    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HN       1:GLN_23:HG2    1.800     4.570    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HN       1:GLN_23:HG*    1.800     4.410    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HN       1:PRO_13:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:GLN_23:N       1:PRO_13:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HA       1:CYS_24:HN    1.800     3.400    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB1       1:GLN_23:HE21    1.800     6.010    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB1       1:GLN_23:HE22    1.800     6.010    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB1       1:CYS_24:HN    1.800     4.350    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB1       1:ILE_53:HD1*    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB2       1:GLN_23:HE21    1.800     6.010    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB2       1:GLN_23:HE22    1.800     6.010    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB2       1:CYS_24:HN    1.800     4.350    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB2       1:ILE_53:HD1*    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB*       1:CYS_24:HN    1.800     3.930    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HB*       1:ILE_53:HD1*    1.800     5.820    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HE21       1:ILE_53:HD1*    1.800     5.660    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HE22       1:ILE_53:HD1*    1.800     5.660    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HE2*       1:ILE_53:HD1*    1.800     5.530    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HG1       1:CYS_24:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HG1       1:CYS_24:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HG2       1:CYS_24:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:GLN_23:HG*       1:CYS_24:HN    1.800     4.850    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HN       1:CYS_24:HB1    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HN       1:CYS_24:HB2    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HN       1:CYS_24:HB*    1.800     3.460    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HA       1:THR_25:HN    1.800     2.710    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HA       1:THR_25:HG2*    1.800     5.660    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HA       1:ASP_26:HN    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HB1       1:THR_25:HN    1.800     4.350    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HB1       1:THR_25:HG2*    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HB2       1:THR_25:HN    1.800     4.350    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HB2       1:THR_25:HG2*    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:CYS_24:HB*       1:THR_25:HG2*    1.800     6.310    10.000    10.000    10.000   100.000  0.00
1:THR_25:HN       1:THR_25:HB    1.800     3.830    10.000    10.000    10.000   100.000  0.00
1:THR_25:HN       1:THR_25:HG2*    1.800     4.420    10.000    10.000    10.000   100.000  0.00
1:THR_25:HN       1:ASP_26:HN    1.800     2.870    10.000    10.000    10.000   100.000  0.00
1:THR_25:HN       1:PHE_11:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:THR_25:N       1:PHE_11:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:THR_25:HA       1:THR_25:HB    1.800     2.650    10.000    10.000    10.000   100.000  0.00
1:THR_25:HA       1:THR_25:HG2*    1.800     3.640    10.000    10.000    10.000   100.000  0.00
1:THR_25:HA       1:ASP_26:HN    1.800     3.550    10.000    10.000    10.000   100.000  0.00
1:THR_25:HB       1:ASP_26:HN    1.800     4.450    10.000    10.000    10.000   100.000  0.00
1:THR_25:HG2*       1:ASP_26:HN    1.800     5.600    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HN       1:ASP_26:HA    1.800     2.770    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HN       1:ASP_26:HB1    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HN       1:ASP_26:HB2    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HN       1:ASP_26:HB*    1.800     2.930    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HA       1:VAL_27:HN    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HA       1:VAL_27:HG*    1.800     6.600    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HB1       1:VAL_27:HN    1.800     3.640    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HB2       1:VAL_27:HN    1.800     3.640    10.000    10.000    10.000   100.000  0.00
1:ASP_26:HB*       1:VAL_27:HN    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HN       1:VAL_27:HB    1.800     2.770    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HN       1:VAL_27:HG*    1.800     4.250    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HA       1:ARG_28:HN    1.800     2.990    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HB       1:ARG_28:HN    1.800     4.660    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG1*       1:ARG_28:HN    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG1*       1:ARG_49:HB1    1.800     5.580    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG1*       1:ARG_49:HB2    1.800     5.580    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG1*       1:ARG_49:HD1    1.800     8.690    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG1*       1:ARG_49:HD2    1.800     8.690    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG2*       1:ARG_28:HN    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG2*       1:ARG_49:HB1    1.800     5.580    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG2*       1:ARG_49:HB2    1.800     5.580    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG2*       1:ARG_49:HD1    1.800     8.690    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG2*       1:ARG_49:HD2    1.800     8.690    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG*       1:ARG_28:HN    1.800     5.970    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG*       1:ARG_49:HB*    1.800     4.370    10.000    10.000    10.000   100.000  0.00
1:VAL_27:HG*       1:ARG_49:HD*    1.800     6.800    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HN       1:ARG_28:HG1    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HN       1:ARG_28:HG2    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HN       1:CYS_48:HN    1.800     3.920    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HN       1:CYS_48:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:ARG_28:N       1:CYS_48:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HA       1:ARG_28:HD1    1.800     4.690    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HA       1:ARG_28:HD2    1.800     4.690    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HA       1:ARG_28:HD*    1.800     4.530    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HA       1:ARG_28:HH1*    1.800     6.500    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HA       1:GLU_29:HN    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HB1       1:ARG_28:HH2*    1.800     6.370    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HB2       1:ARG_28:HH2*    1.800     6.370    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HB*       1:ARG_28:HH1*    1.800     5.570    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HB*       1:ARG_28:HH2*    1.800     6.170    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HB*       1:GLU_29:HN    1.800     3.590    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HG1       1:ARG_28:HH2*    1.800     6.340    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HG1       1:GLU_29:HN    1.800     5.070    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HG2       1:ARG_28:HH2*    1.800     6.340    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HG2       1:GLU_29:HN    1.800     5.070    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HG*       1:ARG_28:HH2*    1.800     6.180    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HG*       1:GLU_29:HN    1.800     4.900    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HD1       1:GLU_29:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:ARG_28:HD2       1:GLU_29:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HN       1:GLU_29:HB1    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HN       1:GLU_29:HB2    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HN       1:GLU_29:HB*    1.800     2.830    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HN       1:GLU_29:HG1    1.800     4.420    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HN       1:GLU_29:HG2    1.800     4.420    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HN       1:GLU_29:HG*    1.800     4.250    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HA       1:GLU_29:HG1    1.800     4.260    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HA       1:GLU_29:HG2    1.800     4.260    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HA       1:GLU_29:HG*    1.800     3.970    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HA       1:LYS_30:HN    1.800     3.400    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HA       1:CYS_48:HN    1.800     3.670    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HB1       1:LYS_30:HN    1.800     3.450    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HB2       1:LYS_30:HN    1.800     3.450    10.000    10.000    10.000   100.000  0.00
1:GLU_29:HB*       1:LYS_30:HN    1.800     3.060    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HN       1:LYS_30:HA    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HN       1:LYS_30:HB1    1.800     3.450    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HN       1:LYS_30:HB2    1.800     3.450    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HN       1:LYS_30:HB*    1.800     3.010    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HN       1:LYS_30:HG1    1.800     4.720    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HN       1:LYS_30:HG2    1.800     4.720    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HN       1:LYS_30:HG*    1.800     4.280    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HA       1:LYS_30:HD*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HA       1:CYS_31:HN    1.800     2.600    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HB1       1:LYS_30:HE*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HB1       1:CYS_31:HN    1.800     3.360    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HB2       1:LYS_30:HE*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HB2       1:CYS_31:HN    1.800     3.360    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HB*       1:CYS_31:HN    1.800     3.070    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HG1       1:CYS_31:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HG2       1:CYS_31:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HG*       1:CYS_31:HN    1.800     5.350    10.000    10.000    10.000   100.000  0.00
1:LYS_30:HD*       1:CYS_31:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HN       1:CYS_31:HA    1.800     2.800    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HN       1:CYS_31:HB1    1.800     3.360    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HN       1:CYS_31:HB2    1.800     3.360    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HN       1:CYS_31:HB*    1.800     3.060    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HA       1:HIS+_32:HN    1.800     2.990    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HA       1:HIS+_32:HD2    1.800     5.130    10.000    10.000    10.000   100.000  0.00
1:CYS_31:CB       1:CYS_38:SG    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HB1       1:HIS+_32:HN    1.800     3.390    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HB2       1:HIS+_32:HN    1.800     3.390    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HB*       1:HIS+_32:HN    1.800     3.180    10.000    10.000    10.000   100.000  0.00
1:CYS_31:HB*       1:HIS+_32:HD2    1.800     5.320    10.000    10.000    10.000   100.000  0.00
1:CYS_31:SG       1:CYS_38:CB    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_31:SG       1:CYS_38:SG    1.800     2.100    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HN       1:HIS+_32:HA    1.800     2.800    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HN       1:HIS+_32:HB1    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HN       1:HIS+_32:HB2    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HN       1:HIS+_32:HB*    1.800     3.230    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HN       1:HIS+_32:HD2    1.800     4.260    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HA       1:HIS+_32:HD2    1.800     4.500    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HA       1:SER_33:HN    1.800     2.710    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB1       1:HIS+_32:HD2    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB1       1:SER_33:HN    1.800     3.240    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB2       1:HIS+_32:HD2    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB2       1:SER_33:HN    1.800     3.240    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB*       1:HIS+_32:HD2    1.800     3.400    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB*       1:SER_33:HN    1.800     3.020    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HA       1:ALA_34:HN    1.800     4.380    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB1       1:ALA_34:HN    1.800     4.450    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB2       1:ALA_34:HN    1.800     4.450    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HB*       1:ALA_34:HN    1.800     4.250    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HD2       1:ALA_34:HB*    1.800     7.000    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HE1       1:ALA_34:HN    1.800     4.420    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HE1       1:ALA_34:HB*    1.800     3.490    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HD2       1:TYR_58:HD*    1.800     8.000    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HD2       1:TYR_58:HE*    1.800     8.000    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HE1       1:TYR_58:HD*    1.800     8.000    10.000    10.000    10.000   100.000  0.00
1:HIS+_32:HE1       1:TYR_58:HE*    1.800     8.000    10.000    10.000    10.000   100.000  0.00
1:SER_33:HN       1:SER_33:HA    1.800     2.870    10.000    10.000    10.000   100.000  0.00
1:SER_33:HN       1:SER_33:HB1    1.800     2.990    10.000    10.000    10.000   100.000  0.00
1:SER_33:HN       1:SER_33:HB2    1.800     2.990    10.000    10.000    10.000   100.000  0.00
1:SER_33:HN       1:ALA_34:HN    1.800     3.450    10.000    10.000    10.000   100.000  0.00
1:SER_33:HA       1:SER_33:HB1    1.800     2.830    10.000    10.000    10.000   100.000  0.00
1:SER_33:HA       1:SER_33:HB2    1.800     2.830    10.000    10.000    10.000   100.000  0.00
1:SER_33:HA       1:ALA_34:HN    1.800     3.390    10.000    10.000    10.000   100.000  0.00
1:SER_33:HA       1:ALA_34:HB*    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:ALA_34:HN       1:CYS_35:HN    1.800     2.880    10.000    10.000    10.000   100.000  0.00
1:ALA_34:HA       1:CYS_35:HN    1.800     2.800    10.000    10.000    10.000   100.000  0.00
1:ALA_34:HB*       1:TYR_58:HD*    1.800     8.670    10.000    10.000    10.000   100.000  0.00
1:ALA_34:HB*       1:TYR_58:HE*    1.800     7.260    10.000    10.000    10.000   100.000  0.00
1:CYS_35:HN       1:CYS_35:HA    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:CYS_35:HN       1:CYS_35:HB*    1.800     3.740    10.000    10.000    10.000   100.000  0.00
1:CYS_35:HA       1:LYS_36:HN    1.800     2.650    10.000    10.000    10.000   100.000  0.00
1:CYS_35:CB       1:CYS_50:SG    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_35:HB*       1:LYS_36:HN    1.800     5.760    10.000    10.000    10.000   100.000  0.00
1:CYS_35:SG       1:CYS_50:CB    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_35:SG       1:CYS_50:SG    1.800     2.100    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HN       1:LYS_36:HB1    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HN       1:LYS_36:HB2    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HN       1:LYS_36:HB*    1.800     3.150    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HN       1:LYS_36:HG1    1.800     4.760    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HN       1:LYS_36:HG2    1.800     4.760    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HN       1:LYS_36:HG*    1.800     4.440    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HN       1:SER_37:HN    1.800     2.990    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HA       1:LYS_36:HG1    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HA       1:LYS_36:HG2    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HA       1:LYS_36:HG*    1.800     3.960    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HA       1:LYS_36:HD*    1.800     5.690    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HA       1:LYS_36:HE*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HA       1:SER_37:HN    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HB1       1:LYS_36:HE*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HB1       1:SER_37:HN    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HB2       1:LYS_36:HE*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HB2       1:SER_37:HN    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HB*       1:SER_37:HN    1.800     3.180    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HG1       1:SER_37:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:LYS_36:HG2       1:SER_37:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:SER_37:HN       1:SER_37:HB1    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:SER_37:HN       1:SER_37:HB2    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:SER_37:HN       1:SER_37:HB*    1.800     2.970    10.000    10.000    10.000   100.000  0.00
1:SER_37:HA       1:CYS_38:HN    1.800     2.490    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB1       1:CYS_38:HN    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB1       1:TYR_51:HN    1.800     5.380    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB1       1:TYR_51:HB1    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB1       1:TYR_51:HB2    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB2       1:CYS_38:HN    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB2       1:TYR_51:HN    1.800     5.380    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB2       1:TYR_51:HB1    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB2       1:TYR_51:HB2    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB1       1:ASP_52:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB2       1:ASP_52:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB*       1:CYS_38:HN    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB*       1:TYR_51:HN    1.800     5.100    10.000    10.000    10.000   100.000  0.00
1:SER_37:HB*       1:TYR_51:HB*    1.800     5.300    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HA       1:CYS_50:HB*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HB1       1:CYS_50:HA    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HB2       1:CYS_50:HA    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HN       1:CYS_38:HB1    1.800     3.210    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HN       1:CYS_38:HB2    1.800     3.210    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HN       1:CYS_38:HB*    1.800     3.020    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HA       1:LEU_39:HN    1.800     2.650    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HA       1:CYS_50:HA    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HA       1:TYR_51:HN    1.800     3.450    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HB1       1:LEU_39:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HB2       1:LEU_39:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:CYS_38:HB*       1:LEU_39:HN    1.800     4.000    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:LEU_39:HB1    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:LEU_39:HB2    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:LEU_39:HG    1.800     4.880    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:LEU_39:HD1*    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:LEU_39:HD2*    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:LEU_39:HD*    1.800     6.020    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:ARG_49:HN    1.800     3.550    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:ARG_49:HN    1.800     3.550    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:ARG_49:HH1*    1.800     5.870    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:ARG_49:HH2*    1.800     5.310    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:CYS_50:HA    1.800     3.580    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HN       1:ARG_49:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:LEU_39:N       1:ARG_49:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HA       1:LEU_39:HD1*    1.800     4.820    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HA       1:LEU_39:HD2*    1.800     4.820    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HA       1:LEU_39:HD*    1.800     4.300    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HA       1:CYS_40:HN    1.800     2.490    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HA       1:LEU_39:HD1*    1.800     4.820    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HA       1:LEU_39:HD2*    1.800     4.820    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB1       1:CYS_40:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB1       1:ARG_49:HH1*    1.800     4.660    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB1       1:ARG_49:HH2*    1.800     5.250    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB2       1:CYS_40:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB2       1:ARG_49:HH1*    1.800     4.660    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB2       1:ARG_49:HH2*    1.800     5.250    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB*       1:ARG_49:HH1*    1.800     4.330    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HB*       1:CYS_40:HN    1.800     3.780    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HG       1:CYS_40:HN    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HG       1:ARG_49:HH1*    1.800     6.370    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HG       1:ARG_49:HH2*    1.800     5.870    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD1*       1:ARG_49:HH1*    1.800     6.870    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD1*       1:ARG_49:HH2*    1.800     7.180    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD2*       1:ARG_49:HH1*    1.800     6.870    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD2*       1:ARG_49:HH2*    1.800     7.180    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD*       1:ARG_49:HH1*    1.800     6.590    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD*       1:ARG_49:HH2*    1.800     6.770    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD1*       1:CYS_40:HN    1.800     6.060    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD2*       1:CYS_40:HN    1.800     6.060    10.000    10.000    10.000   100.000  0.00
1:LEU_39:HD*       1:CYS_40:HN    1.800     5.680    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HN       1:CYS_40:HB1    1.800     3.550    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HN       1:CYS_40:HB2    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HN       1:CYS_40:HB*    1.800     3.250    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HA       1:THR_41:HN    1.800     2.620    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HA       1:THR_41:HG2*    1.800     5.600    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HA       1:CYS_48:HA    1.800     2.740    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HA       1:ARG_49:HN    1.800     3.330    10.000    10.000    10.000   100.000  0.00
1:CYS_40:CB       1:CYS_48:SG    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HB1       1:THR_41:HN    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HB2       1:THR_41:HN    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:CYS_40:HB*       1:THR_41:HN    1.800     3.180    10.000    10.000    10.000   100.000  0.00
1:CYS_40:SG       1:CYS_48:CB    1.800     3.100    10.000    10.000    10.000   100.000  0.00
1:CYS_40:SG       1:CYS_48:SG    1.800     2.100    10.000    10.000    10.000   100.000  0.00
1:THR_41:HN       1:THR_41:HB    1.800     3.550    10.000    10.000    10.000   100.000  0.00
1:THR_41:HN       1:THR_41:HG2*    1.800     3.890    10.000    10.000    10.000   100.000  0.00
1:THR_41:HN       1:PRO_46:HA    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:THR_41:HN       1:GLN_47:HN    1.800     3.240    10.000    10.000    10.000   100.000  0.00
1:THR_41:HN       1:GLN_47:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:THR_41:N       1:GLN_47:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:THR_41:HG2*       1:GLN_47:HB*    1.800     5.140    10.000    10.000    10.000   100.000  0.00
1:THR_41:HG2*       1:GLN_47:HG*    1.800     6.100    10.000    10.000    10.000   100.000  0.00
1:THR_41:HN       1:CYS_48:HA    1.800     3.450    10.000    10.000    10.000   100.000  0.00
1:THR_41:HA       1:THR_41:HB    1.800     2.460    10.000    10.000    10.000   100.000  0.00
1:THR_41:HA       1:THR_41:HG2*    1.800     3.780    10.000    10.000    10.000   100.000  0.00
1:THR_41:HA       1:ARG_42:HN    1.800     2.400    10.000    10.000    10.000   100.000  0.00
1:THR_41:HG2*       1:ARG_42:HN    1.800     4.360    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HN       1:ARG_42:HB1    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HN       1:ARG_42:HB2    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HN       1:ARG_42:HG1    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HN       1:ARG_42:HG2    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HN       1:ARG_42:HG*    1.800     2.960    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HN       1:ARG_42:HD*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HN       1:SER_43:HN    1.800     3.110    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HA       1:ARG_42:HG1    1.800     3.980    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HA       1:ARG_42:HG2    1.800     3.980    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HA       1:ARG_42:HG*    1.800     3.590    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HA       1:ARG_42:HD*    1.800     6.280    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HA       1:SER_43:HN    1.800     3.200    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HB*       1:ARG_42:HG*    1.800     2.390    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HG1       1:SER_43:HN    1.800     5.310    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HG2       1:SER_43:HN    1.800     5.310    10.000    10.000    10.000   100.000  0.00
1:ARG_42:HG*       1:SER_43:HN    1.800     4.670    10.000    10.000    10.000   100.000  0.00
1:SER_43:HN       1:SER_43:HA    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SER_43:HN       1:SER_43:HB1    1.800     3.360    10.000    10.000    10.000   100.000  0.00
1:SER_43:HN       1:SER_43:HB2    1.800     3.360    10.000    10.000    10.000   100.000  0.00
1:SER_43:HN       1:SER_43:HB*    1.800     3.070    10.000    10.000    10.000   100.000  0.00
1:SER_43:HA       1:PHE_44:HN    1.800     2.800    10.000    10.000    10.000   100.000  0.00
1:SER_43:HN       1:PRO_46:HA    1.800     3.500    10.000    10.000    10.000   100.000  0.00
1:SER_43:HB1       1:PHE_44:HN    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:SER_43:HB2       1:PHE_44:HN    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:SER_43:HB*       1:PHE_44:HN    1.800     2.890    10.000    10.000    10.000   100.000  0.00
1:PHE_44:HN       1:PHE_44:HB1    1.800     3.140    10.000    10.000    10.000   100.000  0.00
1:PHE_44:HN       1:PHE_44:HB2    1.800     3.140    10.000    10.000    10.000   100.000  0.00
1:PHE_44:HA       1:PHE_44:HB1    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:PHE_44:HA       1:PHE_44:HB2    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:PHE_44:HA       1:PHE_44:HB*    1.800     2.760    10.000    10.000    10.000   100.000  0.00
1:PHE_44:HA       1:PRO_45:HA    1.800     2.520    10.000    10.000    10.000   100.000  0.00
1:PHE_44:HA       1:PRO_45:HB*    1.800     4.830    10.000    10.000    10.000   100.000  0.00
1:PRO_46:HA       1:GLN_47:HN    1.800     2.490    10.000    10.000    10.000   100.000  0.00
1:PRO_46:HB*       1:GLN_47:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:PRO_46:HG*       1:GLN_47:HN    1.800     5.400    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HA       1:PRO_46:HD1    1.800     3.110    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HA       1:PRO_46:HD2    1.800     3.110    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HA       1:PRO_46:HD*    1.800     2.860    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HB1       1:PRO_46:HD1    1.800     5.030    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HB1       1:PRO_46:HD2    1.800     5.030    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HB2       1:PRO_46:HD1    1.800     5.030    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HB2       1:PRO_46:HD2    1.800     5.030    10.000    10.000    10.000   100.000  0.00
1:PRO_45:HB*       1:PRO_46:HD*    1.800     4.350    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HN       1:GLN_47:HB1    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HN       1:GLN_47:HB2    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HN       1:GLN_47:HB*    1.800     3.110    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HN       1:GLN_47:HG*    1.800     6.130    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HA       1:GLN_47:HB1    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HA       1:GLN_47:HB2    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HA       1:CYS_48:HN    1.800     2.590    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB1       1:GLN_47:HE21    1.800     4.970    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB1       1:GLN_47:HE22    1.800     4.970    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB1       1:CYS_48:HN    1.800     4.510    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB2       1:GLN_47:HE21    1.800     4.970    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB2       1:GLN_47:HE22    1.800     4.970    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB2       1:CYS_48:HN    1.800     4.510    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB*       1:GLN_47:HE2*    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HB*       1:CYS_48:HN    1.800     4.020    10.000    10.000    10.000   100.000  0.00
1:GLN_47:HG*       1:CYS_48:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:CYS_48:HN       1:CYS_48:HB1    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:CYS_48:HN       1:CYS_48:HB2    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:CYS_48:HN       1:CYS_48:HB*    1.800     3.220    10.000    10.000    10.000   100.000  0.00
1:CYS_48:HA       1:ARG_49:HN    1.800     2.680    10.000    10.000    10.000   100.000  0.00
1:CYS_48:HB1       1:ARG_49:HN    1.800     3.830    10.000    10.000    10.000   100.000  0.00
1:CYS_48:HB2       1:ARG_49:HN    1.800     3.830    10.000    10.000    10.000   100.000  0.00
1:CYS_48:HB*       1:ARG_49:HN    1.800     3.510    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HN       1:ARG_49:HB1    1.800     3.760    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HN       1:ARG_49:HB2    1.800     3.760    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HN       1:ARG_49:HB*    1.800     3.200    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HN       1:ARG_49:HG*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HN       1:ARG_49:HH1*    1.800     6.370    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HN       1:LEU_39:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:ARG_49:N       1:LEU_39:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HA       1:ARG_49:HD*    1.800     4.450    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HA       1:CYS_50:HN    1.800     2.800    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HB1       1:CYS_50:HN    1.800     3.790    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HB2       1:CYS_50:HN    1.800     3.790    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HB*       1:ARG_49:HH1*    1.800     5.880    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HB*       1:ARG_49:HH2*    1.800     7.240    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HB*       1:CYS_50:HN    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HG*       1:ARG_49:HH2*    1.800     7.240    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HG*       1:CYS_50:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:ARG_49:HD*       1:CYS_50:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HN       1:CYS_50:HB1    1.800     3.330    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HN       1:CYS_50:HB2    1.800     3.330    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HA       1:TYR_51:HN    1.800     2.740    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HA       1:TYR_51:HD*    1.800     7.640    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HA       1:ASP_52:HN    1.800     4.200    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HB1       1:TYR_51:HN    1.800     4.480    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HB2       1:TYR_51:HN    1.800     4.480    10.000    10.000    10.000   100.000  0.00
1:CYS_50:HB*       1:TYR_51:HN    1.800     4.300    10.000    10.000    10.000   100.000  0.00
1:TYR_51:HN       1:TYR_51:HB1    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:TYR_51:HN       1:TYR_51:HB2    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:TYR_51:HN       1:TYR_51:HB*    1.800     3.050    10.000    10.000    10.000   100.000  0.00
1:TYR_51:HN       1:TYR_51:HE*    1.800     7.630    10.000    10.000    10.000   100.000  0.00
1:TYR_51:HN       1:ASP_52:HN    1.800     3.480    10.000    10.000    10.000   100.000  0.00
1:TYR_51:HN       1:SER_37:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:TYR_51:N       1:SER_37:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:ASP_52:HB*       1:ILE_53:HN    1.800     4.390    10.000    10.000    10.000   100.000  0.00
1:ASP_52:HB*       1:ILE_53:HA    1.800     5.880    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HN       1:ILE_53:HB    1.800     2.800    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HN       1:ILE_53:HG1*    1.800     5.110    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HN       1:ILE_53:HD1*    1.800     5.660    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HA       1:ILE_53:HG2*    1.800     3.770    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HA       1:ILE_53:HD1*    1.800     4.300    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HA       1:THR_54:HN    1.800     2.830    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HB       1:THR_54:HN    1.800     4.450    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HG2*       1:THR_54:HN    1.800     4.820    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HG2*       1:THR_54:HA    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HG1*       1:THR_54:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HD1*       1:THR_54:HN    1.800     6.530    10.000    10.000    10.000   100.000  0.00
1:ILE_53:HD1*       1:THR_54:HA    1.800     7.100    10.000    10.000    10.000   100.000  0.00
1:THR_54:HN       1:CYS_22:O    1.800     2.000    10.000    10.000    10.000   100.000  0.00
1:THR_54:N       1:CYS_22:O    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:THR_54:HA       1:THR_54:HB    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:THR_54:HA       1:ASP_55:HN    1.800     2.710    10.000    10.000    10.000   100.000  0.00
1:THR_54:HB       1:ASP_55:HN    1.800     2.680    10.000    10.000    10.000   100.000  0.00
1:THR_54:HB       1:ASP_55:HB1    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:THR_54:HB       1:ASP_55:HB2    1.800     5.500    10.000    10.000    10.000   100.000  0.00
1:THR_54:HG2*       1:ASP_55:HN    1.800     4.610    10.000    10.000    10.000   100.000  0.00
1:THR_54:HA       1:PHE_56:HD*    1.800     7.620    10.000    10.000    10.000   100.000  0.00
1:THR_54:HB       1:PHE_56:HD*    1.800     6.440    10.000    10.000    10.000   100.000  0.00
1:THR_54:HB       1:PHE_56:HE*    1.800     6.820    10.000    10.000    10.000   100.000  0.00
1:THR_54:HB       1:PHE_56:HZ    1.800     5.470    10.000    10.000    10.000   100.000  0.00
1:THR_54:HG2*       1:PHE_56:HN    1.800     4.670    10.000    10.000    10.000   100.000  0.00
1:THR_54:HG2*       1:PHE_56:HD*    1.800     8.030    10.000    10.000    10.000   100.000  0.00
1:THR_54:HG2*       1:PHE_56:HE*    1.800     7.500    10.000    10.000    10.000   100.000  0.00
1:THR_54:HG2*       1:PHE_56:HZ    1.800     4.980    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HN       1:ASP_55:HB1    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HN       1:ASP_55:HB2    1.800     3.520    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HN       1:ASP_55:HB*    1.800     3.310    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HN       1:PHE_56:HD*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HN       1:PHE_56:HE*    1.800     7.620    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HN       1:PHE_56:HN    1.800     3.020    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HA       1:PHE_56:HN    1.800     3.400    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HA       1:PHE_56:HD*    1.800     7.620    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HB1       1:PHE_56:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HB2       1:PHE_56:HN    1.800     4.170    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HB*       1:PHE_56:HN    1.800     3.840    10.000    10.000    10.000   100.000  0.00
1:ASP_55:HB*       1:PHE_56:HD*    1.800     8.500    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HN       1:PHE_56:HB1    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HN       1:PHE_56:HB2    1.800     3.700    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HN       1:PHE_56:HB*    1.800     3.430    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HA       1:CYS_57:HN    1.800     2.650    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HB1       1:CYS_57:HN    1.800     3.270    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HB2       1:CYS_57:HN    1.800     3.270    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HB*       1:CYS_57:HN    1.800     2.960    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HD*       1:CYS_57:HN    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HE*       1:CYS_57:HN    1.800     7.620    10.000    10.000    10.000   100.000  0.00
1:PHE_56:HE*       1:TYR_58:HA    1.800     7.440    10.000    10.000    10.000   100.000  0.00
1:CYS_57:HN       1:CYS_57:HB1    1.800     3.270    10.000    10.000    10.000   100.000  0.00
1:CYS_57:HN       1:CYS_57:HB2    1.800     3.270    10.000    10.000    10.000   100.000  0.00
1:CYS_57:HN       1:CYS_57:HB*    1.800     3.040    10.000    10.000    10.000   100.000  0.00
1:CYS_57:HA       1:TYR_58:HN    1.800     2.900    10.000    10.000    10.000   100.000  0.00
1:CYS_57:HB1       1:TYR_58:HN    1.800     3.920    10.000    10.000    10.000   100.000  0.00
1:CYS_57:HB2       1:TYR_58:HN    1.800     3.920    10.000    10.000    10.000   100.000  0.00
1:CYS_57:HB*       1:TYR_58:HN    1.800     3.800    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HN       1:TYR_58:HB1    1.800     3.390    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HN       1:TYR_58:HB2    1.800     3.390    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HN       1:TYR_58:HB*    1.800     3.150    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HN       1:TYR_58:HE*    1.800     7.630    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HN       1:PRO_59:HD*    1.800     6.380    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HB1       1:PRO_59:HD*    1.800     5.880    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HB2       1:PRO_59:HD*    1.800     5.880    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HB*       1:PRO_59:HD*    1.800     5.520    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HD*       1:PRO_59:HD*    1.800     7.310    10.000    10.000    10.000   100.000  0.00
1:TYR_58:HE*       1:PRO_59:HD*    1.800     8.510    10.000    10.000    10.000   100.000  0.00
1:PRO_59:HB1       1:SER_60:HN    1.800     3.670    10.000    10.000    10.000   100.000  0.00
1:PRO_59:HB2       1:SER_60:HN    1.800     3.670    10.000    10.000    10.000   100.000  0.00
1:PRO_59:HB*       1:SER_60:HN    1.800     3.290    10.000    10.000    10.000   100.000  0.00
1:PRO_59:HG*       1:SER_60:HN    1.800     5.170    10.000    10.000    10.000   100.000  0.00
1:SER_60:HN       1:SER_60:HA    1.800     2.710    10.000    10.000    10.000   100.000  0.00
1:SER_60:HN       1:SER_60:HB1    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:SER_60:HN       1:SER_60:HB2    1.800     3.300    10.000    10.000    10.000   100.000  0.00
1:SER_60:HA       1:SER_60:HB1    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:SER_60:HA       1:SER_60:HB2    1.800     3.000    10.000    10.000    10.000   100.000  0.00
1:SER_60:HA       1:CYS_61:HN    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SER_60:HB1       1:CYS_61:HN    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:SER_60:HB2       1:CYS_61:HN    1.800     3.420    10.000    10.000    10.000   100.000  0.00
1:SER_60:HB*       1:CYS_61:HN    1.800     3.210    10.000    10.000    10.000   100.000  0.00
1:CYS_61:HN       1:CYS_61:HB1    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:CYS_61:HN       1:CYS_61:HB2    1.800     3.170    10.000    10.000    10.000   100.000  0.00
1:CYS_61:HN       1:CYS_61:HB*    1.800     2.960    10.000    10.000    10.000   100.000  0.00
1:CYS_61:HA       1:SERC_62:HN    1.800     3.110    10.000    10.000    10.000   100.000  0.00
1:CYS_61:HB1       1:SERC_62:HN    1.800     3.640    10.000    10.000    10.000   100.000  0.00
1:CYS_61:HB2       1:SERC_62:HN    1.800     3.640    10.000    10.000    10.000   100.000  0.00
1:CYS_61:HB*       1:SERC_62:HN    1.800     3.470    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HN       1:SERC_62:HB1    1.800     3.610    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HN       1:SERC_62:HB2    1.800     3.610    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
1:SERC_62:HA       1:SERC_62:HB*    1.800     2.700    10.000    10.000    10.000   100.000  0.00
!
!
#NMR_dihedral
1:THRN_1:C         1:LYS_2:N         1:LYS_2:CA        1:LYS_2:C         -180.000 0.000 30.00 30.00 1000.000
1:LYS_2:C         1:SER_3:N         1:SER_3:CA        1:SER_3:C         -180.000 0.000 30.00 30.00 1000.000
1:SER_3:C         1:THR_4:N         1:THR_4:CA        1:THR_4:C         -180.000 0.000 30.00 30.00 1000.000
1:THR_4:C         1:THR_5:N         1:THR_5:CA        1:THR_5:C         -180.000 0.000 30.00 30.00 1000.000
1:THR_5:C         1:THR_6:N         1:THR_6:CA        1:THR_6:C         -180.000 0.000 30.00 30.00 1000.000
1:THR_6:C         1:ALA_7:N         1:ALA_7:CA        1:ALA_7:C         -180.000 0.000 30.00 30.00 1000.000
1:ALA_7:C         1:CYS_8:N         1:CYS_8:CA        1:CYS_8:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_8:C         1:CYS_9:N         1:CYS_9:CA        1:CYS_9:C         -180.000 0.000 30.00 30.00 1000.000
1:CYS_9:C         1:ASP_10:N         1:ASP_10:CA        1:ASP_10:C         -169.000 -109.000 30.00 30.00 1000.000
1:ASP_10:C         1:PHE_11:N         1:PHE_11:CA        1:PHE_11:C         -180.000 0.000 30.00 30.00 1000.000
1:PHE_11:C         1:CYS_12:N         1:CYS_12:CA        1:CYS_12:C         -169.000 -109.000 30.00 30.00 1000.000
1:PRO_13:C         1:CYS_14:N         1:CYS_14:CA        1:CYS_14:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_14:C         1:THR_15:N         1:THR_15:CA        1:THR_15:C         -90.000 -30.000 30.00 30.00 1000.000
1:THR_15:C         1:ARG_16:N         1:ARG_16:CA        1:ARG_16:C         -169.000 -109.000 30.00 30.00 1000.000
1:ARG_16:C         1:SER_17:N         1:SER_17:CA        1:SER_17:C         -180.000 0.000 30.00 30.00 1000.000
1:SER_17:C         1:ILE_18:N         1:ILE_18:CA        1:ILE_18:C         -169.000 -109.000 30.00 30.00 1000.000
1:PRO_20:C         1:GLN_21:N         1:GLN_21:CA        1:GLN_21:C         -169.000 -109.000 30.00 30.00 1000.000
1:GLN_21:C         1:CYS_22:N         1:CYS_22:CA        1:CYS_22:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_22:C         1:GLN_23:N         1:GLN_23:CA        1:GLN_23:C         -169.000 -109.000 30.00 30.00 1000.000
1:GLN_23:C         1:CYS_24:N         1:CYS_24:CA        1:CYS_24:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_24:C         1:THR_25:N         1:THR_25:CA        1:THR_25:C         -169.000 -109.000 30.00 30.00 1000.000
1:THR_25:C         1:ASP_26:N         1:ASP_26:CA        1:ASP_26:C         -180.000 0.000 30.00 30.00 1000.000
1:ASP_26:C         1:VAL_27:N         1:VAL_27:CA        1:VAL_27:C         -169.000 -109.000 30.00 30.00 1000.000
1:VAL_27:C         1:ARG_28:N         1:ARG_28:CA        1:ARG_28:C         -169.000 -109.000 30.00 30.00 1000.000
1:ARG_28:C         1:GLU_29:N         1:GLU_29:CA        1:GLU_29:C         -90.000 -30.000 30.00 30.00 1000.000
1:GLU_29:C         1:LYS_30:N         1:LYS_30:CA        1:LYS_30:C         -180.000 0.000 30.00 30.00 1000.000
1:LYS_30:C         1:CYS_31:N         1:CYS_31:CA        1:CYS_31:C         -180.000 0.000 30.00 30.00 1000.000
1:CYS_31:C         1:HIS+_32:N         1:HIS+_32:CA        1:HIS+_32:C         -180.000 0.000 30.00 30.00 1000.000
1:HIS+_32:C         1:SER_33:N         1:SER_33:CA        1:SER_33:C         -180.000 0.000 30.00 30.00 1000.000
1:SER_33:C         1:ALA_34:N         1:ALA_34:CA        1:ALA_34:C         -169.000 -109.000 30.00 30.00 1000.000
1:ALA_34:C         1:CYS_35:N         1:CYS_35:CA        1:CYS_35:C         -180.000 0.000 30.00 30.00 1000.000
1:CYS_35:C         1:LYS_36:N         1:LYS_36:CA        1:LYS_36:C         -169.000 -109.000 30.00 30.00 1000.000
1:LYS_36:C         1:SER_37:N         1:SER_37:CA        1:SER_37:C         -169.000 -109.000 30.00 30.00 1000.000
1:SER_37:C         1:CYS_38:N         1:CYS_38:CA        1:CYS_38:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_38:C         1:LEU_39:N         1:LEU_39:CA        1:LEU_39:C         -169.000 -109.000 30.00 30.00 1000.000
1:LEU_39:C         1:CYS_40:N         1:CYS_40:CA        1:CYS_40:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_40:C         1:THR_41:N         1:THR_41:CA        1:THR_41:C         -90.000 -30.000 30.00 30.00 1000.000
1:THR_41:C         1:ARG_42:N         1:ARG_42:CA        1:ARG_42:C         -180.000 0.000 30.00 30.00 1000.000
1:ARG_42:C         1:SER_43:N         1:SER_43:CA        1:SER_43:C         -180.000 0.000 30.00 30.00 1000.000
1:SER_43:C         1:PHE_44:N         1:PHE_44:CA        1:PHE_44:C         -169.000 -109.000 30.00 30.00 1000.000
1:PRO_46:C         1:GLN_47:N         1:GLN_47:CA        1:GLN_47:C         -169.000 -109.000 30.00 30.00 1000.000
1:GLN_47:C         1:CYS_48:N         1:CYS_48:CA        1:CYS_48:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_48:C         1:ARG_49:N         1:ARG_49:CA        1:ARG_49:C         -180.000 0.000 30.00 30.00 1000.000
1:ARG_49:C         1:CYS_50:N         1:CYS_50:CA        1:CYS_50:C         -180.000 0.000 30.00 30.00 1000.000
1:CYS_50:C         1:TYR_51:N         1:TYR_51:CA        1:TYR_51:C         -169.000 -109.000 30.00 30.00 1000.000
1:TYR_51:C         1:ASP_52:N         1:ASP_52:CA        1:ASP_52:C         -180.000 0.000 30.00 30.00 1000.000
1:ASP_52:C         1:ILE_53:N         1:ILE_53:CA        1:ILE_53:C         -169.000 -109.000 30.00 30.00 1000.000
1:ILE_53:C         1:THR_54:N         1:THR_54:CA        1:THR_54:C         -180.000 0.000 30.00 30.00 1000.000
1:THR_54:C         1:ASP_55:N         1:ASP_55:CA        1:ASP_55:C         -180.000 0.000 30.00 30.00 1000.000
1:ASP_55:C         1:PHE_56:N         1:PHE_56:CA        1:PHE_56:C         -180.000 0.000 30.00 30.00 1000.000
1:PHE_56:C         1:CYS_57:N         1:CYS_57:CA        1:CYS_57:C         -169.000 -109.000 30.00 30.00 1000.000
1:CYS_57:C         1:TYR_58:N         1:TYR_58:CA        1:TYR_58:C         -180.000 0.000 30.00 30.00 1000.000
1:PRO_59:C         1:SER_60:N         1:SER_60:CA        1:SER_60:C         -180.000 0.000 30.00 30.00 1000.000
1:SER_60:C         1:CYS_61:N         1:CYS_61:CA        1:CYS_61:C         -180.000 0.000 30.00 30.00 1000.000


  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1H        THR   1  -5.423  25.000   2.230
    2   2H    THR   1          2H        THR   1  -4.461  24.081   3.210
    3   3H    THR   1          3H        THR   1  -4.152  25.692   3.014
    4    HA   THR   1           HA       THR   1  -3.967  23.691   0.894
    5    HB   THR   1           HB       THR   1  -2.853  25.542  -0.345
    6    HG1  THR   1           HG1      THR   1  -2.436  26.862   1.491
    7   1HG2  THR   1          1HG2      THR   1  -4.902  26.670  -1.027
    8   2HG2  THR   1          2HG2      THR   1  -5.223  24.944  -0.781
    9   3HG2  THR   1          3HG2      THR   1  -5.745  26.131   0.437
   10    H    LYS   2           H        LYS   2  -2.306  22.331   1.347
   11    HA   LYS   2           HA       LYS   2   0.328  23.417   1.736
   12   1HB   LYS   2          1HB       LYS   2  -0.366  23.465   4.083
   13   2HB   LYS   2          2HB       LYS   2  -0.940  21.798   3.992
   14   1HG   LYS   2          1HG       LYS   2   1.224  22.007   5.148
   15   2HG   LYS   2          2HG       LYS   2   1.346  20.969   3.723
   16   1HD   LYS   2          1HD       LYS   2   2.374  22.806   2.436
   17   2HD   LYS   2          2HD       LYS   2   2.146  23.916   3.808
   18   1HE   LYS   2          1HE       LYS   2   3.677  22.509   5.169
   19   2HE   LYS   2          2HE       LYS   2   3.866  21.390   3.804
   20   1HZ   LYS   2          1HZ       LYS   2   5.667  22.921   3.903
   21   2HZ   LYS   2          2HZ       LYS   2   4.787  23.211   2.540
   22   3HZ   LYS   2          3HZ       LYS   2   4.653  24.220   3.836
   23    H    SER   3           H        SER   3  -1.566  20.380   2.205
   24    HA   SER   3           HA       SER   3  -0.327  19.066  -0.047
   25   1HB   SER   3          1HB       SER   3   0.778  17.268   1.275
   26   2HB   SER   3          2HB       SER   3   1.525  18.836   1.577
   27    HG   SER   3           HG       SER   3   0.229  18.982   3.473
   28    H    THR   4           H        THR   4  -0.947  16.474   0.411
   29    HA   THR   4           HA       THR   4  -3.558  16.177   1.652
   30    HB   THR   4           HB       THR   4  -4.087  17.291  -0.521
   31    HG1  THR   4           HG1      THR   4  -5.556  15.860   0.384
   32   1HG2  THR   4          1HG2      THR   4  -2.213  16.399  -1.890
   33   2HG2  THR   4          2HG2      THR   4  -2.934  14.776  -1.814
   34   3HG2  THR   4          3HG2      THR   4  -3.795  16.093  -2.627
   35    H    THR   5           H        THR   5  -4.363  13.856   0.480
   36    HA   THR   5           HA       THR   5  -2.502  11.946   1.658
   37    HB   THR   5           HB       THR   5  -4.384  10.365   1.185
   38    HG1  THR   5           HG1      THR   5  -5.187  11.539  -0.630
   39   1HG2  THR   5          1HG2      THR   5  -4.285  11.577   3.337
   40   2HG2  THR   5          2HG2      THR   5  -5.177  12.941   2.626
   41   3HG2  THR   5          3HG2      THR   5  -5.961  11.360   2.796
   42    H    THR   6           H        THR   6  -0.785  12.321   0.088
   43    HA   THR   6           HA       THR   6  -1.014  11.457  -2.678
   44    HB   THR   6           HB       THR   6   1.428  11.736  -2.630
   45    HG1  THR   6           HG1      THR   6   1.070  12.384   0.107
   46   1HG2  THR   6          1HG2      THR   6  -0.033  14.040  -1.278
   47   2HG2  THR   6          2HG2      THR   6   1.497  14.125  -2.167
   48   3HG2  THR   6          3HG2      THR   6   0.002  13.698  -3.021
   49    H    ALA   7           H        ALA   7   0.858   9.877  -3.333
   50    HA   ALA   7           HA       ALA   7   0.113   7.236  -2.593
   51   1HB   ALA   7          1HB       ALA   7   2.599   8.239  -4.008
   52   2HB   ALA   7          2HB       ALA   7   2.070   6.546  -3.888
   53   3HB   ALA   7          3HB       ALA   7   1.064   7.729  -4.756
   54    H    CYS   8           H        CYS   8   0.411   6.410  -0.656
   55    HA   CYS   8           HA       CYS   8   2.847   7.008   0.995
   56   1HB   CYS   8          1HB       CYS   8   1.391   7.000   2.870
   57   2HB   CYS   8          2HB       CYS   8   0.674   8.062   1.693
   58    H    CYS   9           H        CYS   9   2.480   5.363   2.927
   59    HA   CYS   9           HA       CYS   9   1.572   2.728   2.351
   60   1HB   CYS   9          1HB       CYS   9   3.858   2.884   1.083
   61   2HB   CYS   9          2HB       CYS   9   4.586   2.913   2.677
   62    H    ASP  10           H        ASP  10   2.497   1.289   4.360
   63    HA   ASP  10           HA       ASP  10   3.125   3.008   6.708
   64   1HB   ASP  10          1HB       ASP  10   0.742   2.637   6.930
   65   2HB   ASP  10          2HB       ASP  10   0.921   0.922   6.537
   66    HD2  ASP  10           HD2      ASP  10   0.720   0.435   9.949
   67    H    PHE  11           H        PHE  11   2.444  -0.476   6.203
   68    HA   PHE  11           HA       PHE  11   5.197  -1.166   7.029
   69   1HB   PHE  11          1HB       PHE  11   2.985  -3.022   6.174
   70   2HB   PHE  11          2HB       PHE  11   4.376  -3.380   7.189
   71    HD1  PHE  11           HD1      PHE  11   0.941  -3.089   7.230
   72    HD2  PHE  11           HD2      PHE  11   4.372  -1.647   9.411
   73    HE1  PHE  11           HE1      PHE  11  -0.465  -2.790   9.226
   74    HE2  PHE  11           HE2      PHE  11   2.959  -1.348  11.419
   75    HZ   PHE  11           HZ       PHE  11   0.533  -1.917  11.342
   76    H    CYS  12           H        CYS  12   6.688  -1.120   5.358
   77    HA   CYS  12           HA       CYS  12   5.785  -1.886   2.634
   78   1HB   CYS  12          1HB       CYS  12   7.355  -0.379   1.728
   79   2HB   CYS  12          2HB       CYS  12   6.225   0.454   2.788
   80    HA   PRO  13           HA       PRO  13   9.151  -4.849   3.793
   81   1HB   PRO  13          1HB       PRO  13   7.889  -7.212   3.354
   82   2HB   PRO  13          2HB       PRO  13   7.648  -6.276   4.858
   83   1HG   PRO  13          1HG       PRO  13   5.884  -6.269   2.392
   84   2HG   PRO  13          2HG       PRO  13   5.384  -6.512   4.093
   85   1HD   PRO  13          1HD       PRO  13   5.236  -4.077   2.869
   86   2HD   PRO  13          2HD       PRO  13   5.675  -4.233   4.599
   87    H    CYS  14           H        CYS  14  10.316  -6.286   2.303
   88    HA   CYS  14           HA       CYS  14   9.523  -6.171  -0.530
   89   1HB   CYS  14          1HB       CYS  14  12.330  -5.549   0.469
   90   2HB   CYS  14          2HB       CYS  14  11.718  -5.381  -1.168
   91    H    THR  15           H        THR  15  10.689  -7.667  -1.885
   92    HA   THR  15           HA       THR  15  11.418 -10.180  -0.574
   93    HB   THR  15           HB       THR  15  11.713 -10.947  -2.895
   94    HG1  THR  15           HG1      THR  15  12.435  -9.207  -3.965
   95   1HG2  THR  15          1HG2      THR  15   9.118  -9.371  -2.574
   96   2HG2  THR  15          2HG2      THR  15   9.407 -10.728  -3.677
   97   3HG2  THR  15          3HG2      THR  15   9.438 -10.996  -1.923
   98    H    ARG  16           H        ARG  16  13.537 -11.135  -0.939
   99    HA   ARG  16           HA       ARG  16  15.759  -9.129  -1.135
  100   1HB   ARG  16          1HB       ARG  16  15.635 -11.850   0.208
  101   2HB   ARG  16          2HB       ARG  16  17.053 -10.785   0.112
  102   1HG   ARG  16          1HG       ARG  16  15.830  -9.022   1.362
  103   2HG   ARG  16          2HG       ARG  16  14.413 -10.081   1.473
  104   1HD   ARG  16          1HD       ARG  16  15.613 -10.233   3.563
  105   2HD   ARG  16          2HD       ARG  16  15.751 -11.764   2.703
  106    HE   ARG  16           HE       ARG  16  18.015 -11.497   2.506
  107   1HH1  ARG  16          1HH1      ARG  16  16.643  -8.345   3.413
  108   2HH1  ARG  16          2HH1      ARG  16  18.195  -7.646   3.796
  109   1HH2  ARG  16          1HH2      ARG  16  20.028 -10.570   3.024
  110   2HH2  ARG  16          2HH2      ARG  16  20.129  -8.915   3.565
  111    H    SER  17           H        SER  17  14.384 -10.152  -3.445
  112    HA   SER  17           HA       SER  17  16.151 -12.089  -4.743
  113   1HB   SER  17          1HB       SER  17  14.480 -11.496  -6.647
  114   2HB   SER  17          2HB       SER  17  13.870 -12.353  -5.233
  115    HG   SER  17           HG       SER  17  12.553 -10.575  -5.826
  116    H    ILE  18           H        ILE  18  16.562 -11.354  -7.106
  117    HA   ILE  18           HA       ILE  18  17.840  -8.668  -7.155
  118    HB   ILE  18           HB       ILE  18  19.399 -10.423  -6.666
  119   1HG1  ILE  18          1HG1      ILE  18  20.189  -8.406  -7.685
  120   2HG1  ILE  18          2HG1      ILE  18  21.146  -9.805  -8.164
  121   1HG2  ILE  18          1HG2      ILE  18  20.149 -12.101  -8.143
  122   2HG2  ILE  18          2HG2      ILE  18  18.412 -12.318  -7.909
  123   3HG2  ILE  18          3HG2      ILE  18  19.032 -11.632  -9.421
  124   1HD1  ILE  18          1HD1      ILE  18  20.888  -8.374 -10.064
  125   2HD1  ILE  18          2HD1      ILE  18  19.924  -9.824 -10.378
  126   3HD1  ILE  18          3HD1      ILE  18  19.133  -8.303  -9.885
  127    HA   PRO  19           HA       PRO  19  17.208  -6.840  -8.005
  128   1HB   PRO  19          1HB       PRO  19  15.179  -5.262  -8.808
  129   2HB   PRO  19          2HB       PRO  19  16.603  -5.579  -9.841
  130   1HG   PRO  19          1HG       PRO  19  13.909  -6.969  -9.949
  131   2HG   PRO  19          2HG       PRO  19  14.823  -6.242 -11.306
  132   1HD   PRO  19          1HD       PRO  19  14.953  -8.910 -10.721
  133   2HD   PRO  19          2HD       PRO  19  16.384  -8.024 -11.321
  134    HA   PRO  20           HA       PRO  20  14.054  -7.741  -4.836
  135   1HB   PRO  20          1HB       PRO  20  14.186  -5.571  -3.245
  136   2HB   PRO  20          2HB       PRO  20  15.565  -6.702  -3.405
  137   1HG   PRO  20          1HG       PRO  20  15.165  -4.085  -4.901
  138   2HG   PRO  20          2HG       PRO  20  16.602  -4.592  -3.968
  139   1HD   PRO  20          1HD       PRO  20  16.448  -4.944  -6.667
  140   2HD   PRO  20          2HD       PRO  20  17.217  -6.179  -5.623
  141    H    GLN  21           H        GLN  21  11.844  -7.423  -4.655
  142    HA   GLN  21           HA       GLN  21  10.584  -5.040  -5.953
  143   1HB   GLN  21          1HB       GLN  21   9.633  -7.906  -5.538
  144   2HB   GLN  21          2HB       GLN  21   8.575  -6.557  -5.918
  145   1HG   GLN  21          1HG       GLN  21   8.958  -6.875  -8.093
  146   2HG   GLN  21          2HG       GLN  21  10.631  -6.364  -7.860
  147   1HE2  GLN  21          1HE2      GLN  21  12.179  -8.141  -7.084
  148   2HE2  GLN  21          2HE2      GLN  21  11.934  -9.735  -7.758
  149    H    CYS  22           H        CYS  22   9.675  -3.688  -4.554
  150    HA   CYS  22           HA       CYS  22   9.102  -4.535  -1.756
  151   1HB   CYS  22          1HB       CYS  22   9.509  -1.809  -2.985
  152   2HB   CYS  22          2HB       CYS  22   9.018  -2.100  -1.318
  153    H    GLN  23           H        GLN  23   7.120  -4.023  -0.842
  154    HA   GLN  23           HA       GLN  23   4.963  -3.040  -2.590
  155   1HB   GLN  23          1HB       GLN  23   3.577  -4.963  -1.841
  156   2HB   GLN  23          2HB       GLN  23   4.944  -5.490  -2.822
  157   1HG   GLN  23          1HG       GLN  23   6.154  -6.240  -0.840
  158   2HG   GLN  23          2HG       GLN  23   4.957  -5.502   0.236
  159   1HE2  GLN  23          1HE2      GLN  23   4.633  -7.607  -2.700
  160   2HE2  GLN  23          2HE2      GLN  23   3.700  -8.842  -1.886
  161    H    CYS  24           H        CYS  24   2.883  -3.094  -1.131
  162    HA   CYS  24           HA       CYS  24   3.524  -2.098   1.605
  163   1HB   CYS  24          1HB       CYS  24   1.261  -1.380  -0.299
  164   2HB   CYS  24          2HB       CYS  24   1.264  -0.975   1.425
  165    H    THR  25           H        THR  25   2.505  -3.152   3.266
  166    HA   THR  25           HA       THR  25   0.346  -5.126   2.580
  167    HB   THR  25           HB       THR  25   1.010  -6.394   4.581
  168    HG1  THR  25           HG1      THR  25   2.116  -4.858   5.727
  169   1HG2  THR  25          1HG2      THR  25   1.814  -7.095   2.368
  170   2HG2  THR  25          2HG2      THR  25   3.284  -6.114   2.589
  171   3HG2  THR  25          3HG2      THR  25   2.960  -7.494   3.664
  172    H    ASP  26           H        ASP  26   0.099  -2.274   2.978
  173    HA   ASP  26           HA       ASP  26  -0.831  -1.934   5.702
  174   1HB   ASP  26          1HB       ASP  26   0.248  -0.090   4.552
  175   2HB   ASP  26          2HB       ASP  26  -1.030  -0.080   3.317
  176    HD2  ASP  26           HD2      ASP  26  -2.186   0.966   7.094
  177    H    VAL  27           H        VAL  27  -2.895  -1.439   6.269
  178    HA   VAL  27           HA       VAL  27  -5.179  -2.139   4.532
  179    HB   VAL  27           HB       VAL  27  -4.583  -3.506   7.200
  180   1HG1  VAL  27          1HG1      VAL  27  -7.010  -3.487   5.366
  181   2HG1  VAL  27          2HG1      VAL  27  -6.661  -4.881   6.396
  182   3HG1  VAL  27          3HG1      VAL  27  -6.921  -3.281   7.112
  183   1HG2  VAL  27          1HG2      VAL  27  -4.555  -5.611   5.809
  184   2HG2  VAL  27          2HG2      VAL  27  -4.508  -4.588   4.359
  185   3HG2  VAL  27          3HG2      VAL  27  -3.187  -4.539   5.531
  186    H    ARG  28           H        ARG  28  -6.673  -0.568   4.844
  187    HA   ARG  28           HA       ARG  28  -7.017   0.946   7.328
  188   1HB   ARG  28          1HB       ARG  28  -4.906   1.642   5.444
  189   2HB   ARG  28          2HB       ARG  28  -6.088   2.928   5.491
  190   1HG   ARG  28          1HG       ARG  28  -5.924   3.048   7.944
  191   2HG   ARG  28          2HG       ARG  28  -4.791   1.691   7.958
  192   1HD   ARG  28          1HD       ARG  28  -3.642   3.812   8.223
  193   2HD   ARG  28          2HD       ARG  28  -3.108   3.001   6.755
  194    HE   ARG  28           HE       ARG  28  -4.659   5.493   7.063
  195   1HH1  ARG  28          1HH1      ARG  28  -3.421   3.111   4.669
  196   2HH1  ARG  28          2HH1      ARG  28  -3.683   4.207   3.341
  197   1HH2  ARG  28          1HH2      ARG  28  -4.928   6.844   5.312
  198   2HH2  ARG  28          2HH2      ARG  28  -4.612   6.283   3.684
  199    H    GLU  29           H        GLU  29  -7.963   3.304   5.786
  200    HA   GLU  29           HA       GLU  29 -10.449   2.351   4.656
  201   1HB   GLU  29          1HB       GLU  29  -9.841   4.664   5.774
  202   2HB   GLU  29          2HB       GLU  29  -9.259   5.096   4.169
  203   1HG   GLU  29          1HG       GLU  29 -11.605   4.277   3.347
  204   2HG   GLU  29          2HG       GLU  29 -12.052   4.227   5.050
  205    HE2  GLU  29           HE2      GLU  29 -11.992   7.755   5.414
  206    H    LYS  30           H        LYS  30  -9.924   4.389   2.257
  207    HA   LYS  30           HA       LYS  30  -9.430   2.275   0.421
  208   1HB   LYS  30          1HB       LYS  30  -9.396   5.237  -0.158
  209   2HB   LYS  30          2HB       LYS  30  -9.583   3.896  -1.280
  210   1HG   LYS  30          1HG       LYS  30 -11.683   3.207   0.030
  211   2HG   LYS  30          2HG       LYS  30 -11.545   4.747   0.882
  212   1HD   LYS  30          1HD       LYS  30 -13.157   4.918  -0.932
  213   2HD   LYS  30          2HD       LYS  30 -11.792   6.011  -1.178
  214   1HE   LYS  30          1HE       LYS  30 -12.558   4.894  -3.266
  215   2HE   LYS  30          2HE       LYS  30 -10.864   4.569  -2.918
  216   1HZ   LYS  30          1HZ       LYS  30 -13.102   2.753  -2.325
  217   2HZ   LYS  30          2HZ       LYS  30 -12.056   2.613  -3.590
  218   3HZ   LYS  30          3HZ       LYS  30 -11.507   2.441  -2.046
  219    H    CYS  31           H        CYS  31  -7.865   2.234  -1.232
  220    HA   CYS  31           HA       CYS  31  -5.172   2.288  -0.234
  221   1HB   CYS  31          1HB       CYS  31  -4.688   1.386  -2.529
  222   2HB   CYS  31          2HB       CYS  31  -5.778   0.464  -1.529
  223    H    HIS  32           H        HIS  32  -3.376   3.193  -1.427
  224    HA   HIS  32           HA       HIS  32  -3.866   6.014  -1.618
  225   1HB   HIS  32          1HB       HIS  32  -1.532   6.326  -1.497
  226   2HB   HIS  32          2HB       HIS  32  -2.065   5.150  -0.353
  227    HD1  HIS  32           HD1      HIS  32  -0.004   5.346  -3.576
  228    HD2  HIS  32           HD2      HIS  32  -0.909   2.745  -0.402
  229    HE1  HIS  32           HE1      HIS  32   1.664   3.408  -3.683
  230    HE2  HIS  32           HE2      HIS  32   1.095   1.780  -1.805
  231    H    SER  33           H        SER  33  -2.308   7.244  -3.113
  232    HA   SER  33           HA       SER  33  -3.568   7.077  -5.691
  233   1HB   SER  33          1HB       SER  33  -3.164   9.170  -4.399
  234   2HB   SER  33          2HB       SER  33  -1.434   8.975  -4.745
  235    HG   SER  33           HG       SER  33  -2.054   8.977  -6.996
  236    H    ALA  34           H        ALA  34  -1.414   4.930  -4.977
  237    HA   ALA  34           HA       ALA  34  -0.397   4.829  -7.699
  238   1HB   ALA  34          1HB       ALA  34   1.372   6.228  -6.687
  239   2HB   ALA  34          2HB       ALA  34   1.636   4.987  -5.443
  240   3HB   ALA  34          3HB       ALA  34   1.974   4.629  -7.146
  241    H    CYS  35           H        CYS  35  -2.163   3.196  -7.062
  242    HA   CYS  35           HA       CYS  35  -0.828   0.680  -6.225
  243   1HB   CYS  35          1HB       CYS  35  -3.673   1.528  -5.649
  244   2HB   CYS  35          2HB       CYS  35  -2.958  -0.048  -5.266
  245    H    LYS  36           H        LYS  36  -0.788  -0.824  -7.692
  246    HA   LYS  36           HA       LYS  36  -2.501  -0.691 -10.120
  247   1HB   LYS  36          1HB       LYS  36   0.130  -2.073  -9.402
  248   2HB   LYS  36          2HB       LYS  36  -0.775  -2.413 -10.867
  249   1HG   LYS  36          1HG       LYS  36   0.352   0.326 -10.122
  250   2HG   LYS  36          2HG       LYS  36   1.126  -0.851 -11.195
  251   1HD   LYS  36          1HD       LYS  36  -0.893  -0.734 -12.714
  252   2HD   LYS  36          2HD       LYS  36  -1.557   0.531 -11.666
  253   1HE   LYS  36          1HE       LYS  36  -0.537   1.617 -13.520
  254   2HE   LYS  36          2HE       LYS  36   0.455   1.938 -12.089
  255   1HZ   LYS  36          1HZ       LYS  36   1.967   0.244 -12.846
  256   2HZ   LYS  36          2HZ       LYS  36   1.011  -0.092 -14.147
  257   3HZ   LYS  36          3HZ       LYS  36   1.750   1.374 -14.023
  258    H    SER  37           H        SER  37  -1.410  -2.663  -7.409
  259    HA   SER  37           HA       SER  37  -3.845  -4.375  -7.713
  260   1HB   SER  37          1HB       SER  37  -1.677  -5.587  -7.538
  261   2HB   SER  37          2HB       SER  37  -1.425  -4.834  -5.960
  262    HG   SER  37           HG       SER  37  -3.561  -6.536  -6.740
  263    H    CYS  38           H        CYS  38  -5.411  -3.481  -6.649
  264    HA   CYS  38           HA       CYS  38  -5.076  -2.680  -3.830
  265   1HB   CYS  38          1HB       CYS  38  -5.263  -0.574  -4.976
  266   2HB   CYS  38          2HB       CYS  38  -6.635  -1.139  -5.932
  267    H    LEU  39           H        LEU  39  -6.548  -3.680  -2.586
  268    HA   LEU  39           HA       LEU  39  -9.060  -4.700  -3.631
  269   1HB   LEU  39          1HB       LEU  39  -7.302  -6.381  -4.395
  270   2HB   LEU  39          2HB       LEU  39  -6.938  -6.684  -2.698
  271    HG   LEU  39           HG       LEU  39  -9.279  -7.530  -2.376
  272   1HD1  LEU  39          1HD1      LEU  39 -10.592  -8.057  -4.482
  273   2HD1  LEU  39          2HD1      LEU  39 -10.548  -6.339  -4.079
  274   3HD1  LEU  39          3HD1      LEU  39  -9.502  -6.975  -5.369
  275   1HD2  LEU  39          1HD2      LEU  39  -7.433  -9.059  -2.940
  276   2HD2  LEU  39          2HD2      LEU  39  -8.971  -9.609  -3.627
  277   3HD2  LEU  39          3HD2      LEU  39  -7.765  -8.826  -4.671
  278    H    CYS  40           H        CYS  40 -10.378  -5.640  -1.883
  279    HA   CYS  40           HA       CYS  40  -9.548  -4.657   0.809
  280   1HB   CYS  40          1HB       CYS  40 -12.362  -4.656  -0.311
  281   2HB   CYS  40          2HB       CYS  40 -11.779  -3.817   1.122
  282    H    THR  41           H        THR  41 -10.842  -5.595   2.595
  283    HA   THR  41           HA       THR  41 -11.293  -8.509   2.135
  284    HB   THR  41           HB       THR  41  -9.890  -7.967   4.038
  285    HG1  THR  41           HG1      THR  41 -11.089  -9.229   5.482
  286   1HG2  THR  41          1HG2      THR  41 -10.880  -6.976   6.076
  287   2HG2  THR  41          2HG2      THR  41 -10.788  -5.807   4.756
  288   3HG2  THR  41          3HG2      THR  41 -12.348  -6.557   5.174
  289    H    ARG  42           H        ARG  42 -13.244  -9.462   2.653
  290    HA   ARG  42           HA       ARG  42 -15.636  -7.855   2.157
  291   1HB   ARG  42          1HB       ARG  42 -16.724  -9.996   1.910
  292   2HB   ARG  42          2HB       ARG  42 -15.202  -9.988   1.004
  293   1HG   ARG  42          1HG       ARG  42 -14.131 -11.208   2.955
  294   2HG   ARG  42          2HG       ARG  42 -15.729 -11.276   3.720
  295   1HD   ARG  42          1HD       ARG  42 -15.248 -13.372   2.638
  296   2HD   ARG  42          2HD       ARG  42 -16.587 -12.595   1.804
  297    HE   ARG  42           HE       ARG  42 -13.747 -12.896   0.904
  298   1HH1  ARG  42          1HH1      ARG  42 -17.066 -11.952  -0.008
  299   2HH1  ARG  42          2HH1      ARG  42 -16.674 -11.829  -1.701
  300   1HH2  ARG  42          1HH2      ARG  42 -13.276 -12.703  -1.297
  301   2HH2  ARG  42          2HH2      ARG  42 -14.518 -12.252  -2.436
  302    H    SER  43           H        SER  43 -13.894  -8.411   4.907
  303    HA   SER  43           HA       SER  43 -15.782  -9.401   6.739
  304   1HB   SER  43          1HB       SER  43 -13.302  -7.688   7.199
  305   2HB   SER  43          2HB       SER  43 -14.088  -8.745   8.379
  306    HG   SER  43           HG       SER  43 -12.872  -9.571   5.958
  307    H    PHE  44           H        PHE  44 -16.007  -7.926   8.869
  308    HA   PHE  44           HA       PHE  44 -17.228  -5.315   8.111
  309   1HB   PHE  44          1HB       PHE  44 -18.893  -7.007   8.669
  310   2HB   PHE  44          2HB       PHE  44 -18.128  -7.275  10.233
  311    HD1  PHE  44           HD1      PHE  44 -18.532  -5.739  12.081
  312    HD2  PHE  44           HD2      PHE  44 -19.936  -4.796   8.113
  313    HE1  PHE  44           HE1      PHE  44 -19.870  -3.863  12.996
  314    HE2  PHE  44           HE2      PHE  44 -21.263  -2.914   9.032
  315    HZ   PHE  44           HZ       PHE  44 -21.222  -2.436  11.473
  316    HA   PRO  45           HA       PRO  45 -16.718  -3.243   8.413
  317   1HB   PRO  45          1HB       PRO  45 -14.705  -1.428   8.285
  318   2HB   PRO  45          2HB       PRO  45 -15.895  -1.476   9.618
  319   1HG   PRO  45          1HG       PRO  45 -13.112  -2.682   9.596
  320   2HG   PRO  45          2HG       PRO  45 -13.837  -1.628  10.842
  321   1HD   PRO  45          1HD       PRO  45 -13.817  -4.356  11.056
  322   2HD   PRO  45          2HD       PRO  45 -15.203  -3.395  11.647
  323    HA   PRO  46           HA       PRO  46 -14.159  -4.943   5.041
  324   1HB   PRO  46          1HB       PRO  46 -15.144  -3.597   2.902
  325   2HB   PRO  46          2HB       PRO  46 -16.089  -4.843   3.763
  326   1HG   PRO  46          1HG       PRO  46 -16.272  -1.839   4.091
  327   2HG   PRO  46          2HG       PRO  46 -17.603  -3.013   3.915
  328   1HD   PRO  46          1HD       PRO  46 -16.736  -2.057   6.355
  329   2HD   PRO  46          2HD       PRO  46 -17.415  -3.700   6.149
  330    H    GLN  47           H        GLN  47 -12.048  -4.275   5.335
  331    HA   GLN  47           HA       GLN  47 -11.349  -1.401   5.048
  332   1HB   GLN  47          1HB       GLN  47  -9.964  -3.802   6.321
  333   2HB   GLN  47          2HB       GLN  47  -9.197  -2.236   6.044
  334   1HG   GLN  47          1HG       GLN  47 -11.052  -1.143   7.371
  335   2HG   GLN  47          2HG       GLN  47 -11.673  -2.763   7.733
  336   1HE2  GLN  47          1HE2      GLN  47  -8.487  -1.029   7.767
  337   2HE2  GLN  47          2HE2      GLN  47  -8.016  -1.585   9.360
  338    H    CYS  48           H        CYS  48  -9.879  -0.736   3.559
  339    HA   CYS  48           HA       CYS  48  -9.390  -2.627   1.331
  340   1HB   CYS  48          1HB       CYS  48  -9.930   0.310   1.467
  341   2HB   CYS  48          2HB       CYS  48  -9.261  -0.453   0.029
  342    H    ARG  49           H        ARG  49  -7.497  -2.508   0.178
  343    HA   ARG  49           HA       ARG  49  -5.112  -1.914   1.856
  344   1HB   ARG  49          1HB       ARG  49  -5.693  -4.602   0.620
  345   2HB   ARG  49          2HB       ARG  49  -4.542  -4.188   1.884
  346   1HG   ARG  49          1HG       ARG  49  -6.401  -3.785   3.398
  347   2HG   ARG  49          2HG       ARG  49  -7.599  -4.182   2.167
  348   1HD   ARG  49          1HD       ARG  49  -5.485  -6.211   2.891
  349   2HD   ARG  49          2HD       ARG  49  -6.943  -5.990   3.861
  350    HE   ARG  49           HE       ARG  49  -8.320  -6.755   2.192
  351   1HH1  ARG  49          1HH1      ARG  49  -4.981  -6.721   0.949
  352   2HH1  ARG  49          2HH1      ARG  49  -5.374  -7.717  -0.427
  353   1HH2  ARG  49          1HH2      ARG  49  -8.806  -7.989   0.339
  354   2HH2  ARG  49          2HH2      ARG  49  -7.530  -8.463  -0.748
  355    H    CYS  50           H        CYS  50  -3.194  -1.730   0.669
  356    HA   CYS  50           HA       CYS  50  -3.399  -1.810  -2.319
  357   1HB   CYS  50          1HB       CYS  50  -3.002   0.444  -1.342
  358   2HB   CYS  50          2HB       CYS  50  -1.561  -0.172  -0.545
  359    H    TYR  51           H        TYR  51  -2.079  -3.216  -3.327
  360    HA   TYR  51           HA       TYR  51   0.184  -4.510  -1.867
  361   1HB   TYR  51          1HB       TYR  51  -1.921  -5.888  -1.989
  362   2HB   TYR  51          2HB       TYR  51  -1.825  -5.820  -3.735
  363    HD1  TYR  51           HD1      TYR  51   0.125  -6.862  -0.686
  364    HD2  TYR  51           HD2      TYR  51  -0.631  -7.542  -4.880
  365    HE1  TYR  51           HE1      TYR  51   1.492  -8.923  -0.603
  366    HE2  TYR  51           HE2      TYR  51   0.700  -9.628  -4.778
  367    HH   TYR  51           HH       TYR  51   2.306 -10.721  -1.765
  368    H    ASP  52           H        ASP  52   0.303  -2.185  -3.555
  369    HA   ASP  52           HA       ASP  52   0.936  -2.663  -6.227
  370   1HB   ASP  52          1HB       ASP  52   2.060  -0.528  -6.184
  371   2HB   ASP  52          2HB       ASP  52   0.632  -0.451  -5.150
  372    HD2  ASP  52           HD2      ASP  52   4.335  -0.054  -3.554
  373    H    ILE  53           H        ILE  53   2.975  -2.784  -7.347
  374    HA   ILE  53           HA       ILE  53   5.248  -3.919  -5.772
  375    HB   ILE  53           HB       ILE  53   4.606  -4.492  -8.682
  376   1HG1  ILE  53          1HG1      ILE  53   2.926  -5.592  -7.249
  377   2HG1  ILE  53          2HG1      ILE  53   3.992  -6.730  -8.067
  378   1HG2  ILE  53          1HG2      ILE  53   7.003  -4.568  -8.209
  379   2HG2  ILE  53          2HG2      ILE  53   6.730  -5.534  -6.758
  380   3HG2  ILE  53          3HG2      ILE  53   6.415  -6.227  -8.360
  381   1HD1  ILE  53          1HD1      ILE  53   3.515  -7.359  -5.716
  382   2HD1  ILE  53          2HD1      ILE  53   5.247  -7.140  -6.013
  383   3HD1  ILE  53          3HD1      ILE  53   4.323  -5.888  -5.154
  384    H    THR  54           H        THR  54   6.639  -2.328  -5.506
  385    HA   THR  54           HA       THR  54   7.510  -0.745  -7.859
  386    HB   THR  54           HB       THR  54   7.909   1.169  -6.217
  387    HG1  THR  54           HG1      THR  54   7.644   0.102  -4.260
  388   1HG2  THR  54          1HG2      THR  54   5.611   1.987  -6.305
  389   2HG2  THR  54          2HG2      THR  54   6.060   1.207  -7.836
  390   3HG2  THR  54          3HG2      THR  54   5.011   0.358  -6.676
  391    H    ASP  55           H        ASP  55   9.782   0.031  -7.529
  392    HA   ASP  55           HA       ASP  55  11.435  -2.068  -6.402
  393   1HB   ASP  55          1HB       ASP  55  12.083  -0.804  -8.390
  394   2HB   ASP  55          2HB       ASP  55  12.097   0.702  -7.468
  395    HD2  ASP  55           HD2      ASP  55  15.017  -2.047  -6.705
  396    H    PHE  56           H        PHE  56   9.937   0.774  -5.122
  397    HA   PHE  56           HA       PHE  56  11.783   0.902  -2.770
  398   1HB   PHE  56          1HB       PHE  56  11.424   3.398  -2.975
  399   2HB   PHE  56          2HB       PHE  56  12.330   2.650  -4.262
  400    HD1  PHE  56           HD1      PHE  56   8.936   3.958  -3.348
  401    HD2  PHE  56           HD2      PHE  56  11.604   2.844  -6.551
  402    HE1  PHE  56           HE1      PHE  56   7.333   4.842  -5.002
  403    HE2  PHE  56           HE2      PHE  56   9.955   3.673  -8.206
  404    HZ   PHE  56           HZ       PHE  56   7.802   4.651  -7.435
  405    H    CYS  57           H        CYS  57  10.780   2.555  -1.207
  406    HA   CYS  57           HA       CYS  57   7.987   1.756  -0.485
  407   1HB   CYS  57          1HB       CYS  57   9.629   0.901   1.055
  408   2HB   CYS  57          2HB       CYS  57  10.405   2.486   1.188
  409    H    TYR  58           H        TYR  58   6.617   3.368   0.277
  410    HA   TYR  58           HA       TYR  58   7.207   6.169  -0.497
  411   1HB   TYR  58          1HB       TYR  58   4.687   4.629   0.178
  412   2HB   TYR  58          2HB       TYR  58   4.705   6.335  -0.159
  413    HD1  TYR  58           HD1      TYR  58   5.345   7.182  -2.448
  414    HD2  TYR  58           HD2      TYR  58   4.623   3.012  -1.609
  415    HE1  TYR  58           HE1      TYR  58   4.998   6.757  -4.861
  416    HE2  TYR  58           HE2      TYR  58   4.317   2.582  -4.032
  417    HH   TYR  58           HH       TYR  58   4.646   5.176  -6.486
  418    HA   PRO  59           HA       PRO  59   7.319   7.364   3.825
  419   1HB   PRO  59          1HB       PRO  59   5.973   9.772   3.882
  420   2HB   PRO  59          2HB       PRO  59   7.596   9.551   3.167
  421   1HG   PRO  59          1HG       PRO  59   4.930   9.476   1.719
  422   2HG   PRO  59          2HG       PRO  59   6.370  10.458   1.306
  423   1HD   PRO  59          1HD       PRO  59   5.942   8.135   0.052
  424   2HD   PRO  59          2HD       PRO  59   7.589   8.509   0.626
  425    H    SER  60           H        SER  60   5.939   7.836   5.764
  426    HA   SER  60           HA       SER  60   3.965   5.899   5.958
  427   1HB   SER  60          1HB       SER  60   3.590   7.270   8.216
  428   2HB   SER  60          2HB       SER  60   4.959   6.200   7.924
  429    HG   SER  60           HG       SER  60   5.621   8.249   8.717
  430    H    CYS  61           H        CYS  61   1.832   5.931   6.116
  431    HA   CYS  61           HA       CYS  61   0.388   8.200   4.928
  432   1HB   CYS  61          1HB       CYS  61   0.197   5.520   4.525
  433   2HB   CYS  61          2HB       CYS  61  -1.086   5.713   5.701
  434    H    SER  62           H        SER  62  -2.029   8.250   5.786
  435    HA   SER  62           HA       SER  62  -2.386   7.757   8.630
  436   1HB   SER  62          1HB       SER  62  -1.573  10.114   8.601
  437   2HB   SER  62          2HB       SER  62  -2.843  10.533   7.431
  438    HG   SER  62           HG       SER  62  -3.347  10.986   9.655
  Start of MODEL    2
    1   1H    THR   1          1H        THR   1  -9.520  12.685  10.490
    2   2H    THR   1          2H        THR   1 -10.828  13.577  10.007
    3   3H    THR   1          3H        THR   1 -10.566  12.081   9.363
    4    HA   THR   1           HA       THR   1  -8.800  14.375   9.002
    5    HB   THR   1           HB       THR   1  -7.781  12.937   7.239
    6    HG1  THR   1           HG1      THR   1  -8.256  10.718   7.333
    7   1HG2  THR   1          1HG2      THR   1  -6.446  11.549   8.729
    8   2HG2  THR   1          2HG2      THR   1  -6.730  13.130   9.481
    9   3HG2  THR   1          3HG2      THR   1  -7.646  11.704  10.025
   10    H    LYS   2           H        LYS   2  -8.769  15.218   6.806
   11    HA   LYS   2           HA       LYS   2 -11.405  15.277   5.487
   12   1HB   LYS   2          1HB       LYS   2  -8.747  16.617   4.826
   13   2HB   LYS   2          2HB       LYS   2 -10.271  16.864   3.954
   14   1HG   LYS   2          1HG       LYS   2 -11.340  17.626   6.084
   15   2HG   LYS   2          2HG       LYS   2  -9.755  17.512   6.882
   16   1HD   LYS   2          1HD       LYS   2  -8.844  19.087   5.120
   17   2HD   LYS   2          2HD       LYS   2 -10.502  19.333   4.548
   18   1HE   LYS   2          1HE       LYS   2  -9.480  19.877   7.379
   19   2HE   LYS   2          2HE       LYS   2  -9.729  21.109   6.133
   20   1HZ   LYS   2          1HZ       LYS   2 -11.847  19.399   7.236
   21   2HZ   LYS   2          2HZ       LYS   2 -11.557  20.959   7.674
   22   3HZ   LYS   2          3HZ       LYS   2 -12.042  20.613   6.137
   23    H    SER   3           H        SER   3 -11.373  14.988   3.057
   24    HA   SER   3           HA       SER   3 -10.628  12.306   2.444
   25   1HB   SER   3          1HB       SER   3 -12.595  13.476   1.500
   26   2HB   SER   3          2HB       SER   3 -11.513  14.551   0.586
   27    HG   SER   3           HG       SER   3 -12.186  12.783  -0.670
   28    H    THR   4           H        THR   4  -8.557  11.679   2.153
   29    HA   THR   4           HA       THR   4  -6.962  12.892   0.059
   30    HB   THR   4           HB       THR   4  -6.358  14.279   2.033
   31    HG1  THR   4           HG1      THR   4  -4.265  12.546   1.265
   32   1HG2  THR   4          1HG2      THR   4  -5.211  11.724   3.247
   33   2HG2  THR   4          2HG2      THR   4  -5.107  13.367   3.897
   34   3HG2  THR   4          3HG2      THR   4  -6.675  12.545   3.827
   35    H    THR   5           H        THR   5  -5.428  11.441  -0.760
   36    HA   THR   5           HA       THR   5  -4.956   8.875   0.525
   37    HB   THR   5           HB       THR   5  -7.221   8.592  -0.445
   38    HG1  THR   5           HG1      THR   5  -6.575   6.673  -1.656
   39   1HG2  THR   5          1HG2      THR   5  -6.954  10.071  -2.464
   40   2HG2  THR   5          2HG2      THR   5  -5.945   8.812  -3.206
   41   3HG2  THR   5          3HG2      THR   5  -7.627   8.467  -2.796
   42    H    THR   6           H        THR   6  -3.198  10.881   0.018
   43    HA   THR   6           HA       THR   6  -1.853  10.794  -2.485
   44    HB   THR   6           HB       THR   6   0.003  11.799  -1.150
   45    HG1  THR   6           HG1      THR   6  -0.568  10.677   0.822
   46   1HG2  THR   6          1HG2      THR   6  -2.741  13.034  -0.646
   47   2HG2  THR   6          2HG2      THR   6  -1.179  13.875  -0.636
   48   3HG2  THR   6          3HG2      THR   6  -1.802  13.182  -2.147
   49    H    ALA   7           H        ALA   7   0.355   9.930  -2.865
   50    HA   ALA   7           HA       ALA   7   0.292   7.124  -2.512
   51   1HB   ALA   7          1HB       ALA   7   2.597   8.773  -3.534
   52   2HB   ALA   7          2HB       ALA   7   2.320   7.026  -3.734
   53   3HB   ALA   7          3HB       ALA   7   1.208   8.186  -4.489
   54    H    CYS   8           H        CYS   8   0.334   6.443  -0.470
   55    HA   CYS   8           HA       CYS   8   2.773   6.909   1.201
   56   1HB   CYS   8          1HB       CYS   8   1.398   6.973   3.115
   57   2HB   CYS   8          2HB       CYS   8   0.696   8.100   1.987
   58    H    CYS   9           H        CYS   9   2.507   5.282   3.054
   59    HA   CYS   9           HA       CYS   9   1.308   2.753   2.728
   60   1HB   CYS   9          1HB       CYS   9   3.103   2.477   0.999
   61   2HB   CYS   9          2HB       CYS   9   4.319   2.784   2.230
   62    H    ASP  10           H        ASP  10   1.895   1.377   4.648
   63    HA   ASP  10           HA       ASP  10   3.239   2.893   6.865
   64   1HB   ASP  10          1HB       ASP  10   0.911   2.484   7.396
   65   2HB   ASP  10          2HB       ASP  10   1.052   0.783   6.938
   66    HD2  ASP  10           HD2      ASP  10   1.293   0.345  10.379
   67    H    PHE  11           H        PHE  11   2.448  -0.558   6.284
   68    HA   PHE  11           HA       PHE  11   5.213  -1.334   6.926
   69   1HB   PHE  11          1HB       PHE  11   2.805  -3.009   6.201
   70   2HB   PHE  11          2HB       PHE  11   4.295  -3.577   6.949
   71    HD1  PHE  11           HD1      PHE  11   0.987  -3.137   7.655
   72    HD2  PHE  11           HD2      PHE  11   4.823  -1.908   9.207
   73    HE1  PHE  11           HE1      PHE  11  -0.002  -2.892   9.899
   74    HE2  PHE  11           HE2      PHE  11   3.826  -1.648  11.450
   75    HZ   PHE  11           HZ       PHE  11   1.412  -2.137  11.814
   76    H    CYS  12           H        CYS  12   6.604  -1.214   5.250
   77    HA   CYS  12           HA       CYS  12   5.715  -1.945   2.499
   78   1HB   CYS  12          1HB       CYS  12   7.402  -0.407   1.703
   79   2HB   CYS  12          2HB       CYS  12   6.170   0.388   2.670
   80    HA   PRO  13           HA       PRO  13   9.095  -4.897   3.875
   81   1HB   PRO  13          1HB       PRO  13   7.872  -7.282   3.336
   82   2HB   PRO  13          2HB       PRO  13   7.611  -6.384   4.859
   83   1HG   PRO  13          1HG       PRO  13   5.862  -6.341   2.384
   84   2HG   PRO  13          2HG       PRO  13   5.363  -6.604   4.083
   85   1HD   PRO  13          1HD       PRO  13   5.193  -4.169   2.897
   86   2HD   PRO  13          2HD       PRO  13   5.669  -4.331   4.616
   87    H    CYS  14           H        CYS  14  10.575  -5.822   2.426
   88    HA   CYS  14           HA       CYS  14   9.830  -5.992  -0.438
   89   1HB   CYS  14          1HB       CYS  14  12.374  -4.785   0.709
   90   2HB   CYS  14          2HB       CYS  14  11.976  -4.934  -0.995
   91    H    THR  15           H        THR  15  11.292  -7.226  -1.734
   92    HA   THR  15           HA       THR  15  12.237  -9.641  -0.334
   93    HB   THR  15           HB       THR  15  12.301 -10.577  -2.569
   94    HG1  THR  15           HG1      THR  15  11.675  -7.940  -3.410
   95   1HG2  THR  15          1HG2      THR  15  10.055 -10.434  -1.471
   96   2HG2  THR  15          2HG2      THR  15   9.748  -8.911  -2.328
   97   3HG2  THR  15          3HG2      THR  15   9.961 -10.413  -3.237
   98    H    ARG  16           H        ARG  16  14.346 -10.482  -0.857
   99    HA   ARG  16           HA       ARG  16  16.412  -8.407  -1.506
  100   1HB   ARG  16          1HB       ARG  16  16.575 -10.967   0.109
  101   2HB   ARG  16          2HB       ARG  16  17.920  -9.858  -0.237
  102   1HG   ARG  16          1HG       ARG  16  16.786  -8.037   0.955
  103   2HG   ARG  16          2HG       ARG  16  15.402  -9.076   1.319
  104   1HD   ARG  16          1HD       ARG  16  18.252  -9.593   2.283
  105   2HD   ARG  16          2HD       ARG  16  16.983  -8.802   3.208
  106    HE   ARG  16           HE       ARG  16  15.775 -10.756   3.458
  107   1HH1  ARG  16          1HH1      ARG  16  18.720 -11.418   1.569
  108   2HH1  ARG  16          2HH1      ARG  16  18.630 -13.140   1.824
  109   1HH2  ARG  16          1HH2      ARG  16  15.660 -13.006   3.734
  110   2HH2  ARG  16          2HH2      ARG  16  16.878 -14.045   3.042
  111    H    SER  17           H        SER  17  14.814  -9.769  -3.518
  112    HA   SER  17           HA       SER  17  16.612 -11.719  -4.773
  113   1HB   SER  17          1HB       SER  17  14.780 -11.793  -6.441
  114   2HB   SER  17          2HB       SER  17  14.226 -12.149  -4.820
  115    HG   SER  17           HG       SER  17  13.358 -10.057  -4.719
  116    H    ILE  18           H        ILE  18  16.529 -11.227  -7.291
  117    HA   ILE  18           HA       ILE  18  17.551  -8.473  -7.793
  118    HB   ILE  18           HB       ILE  18  18.761 -11.094  -8.588
  119   1HG1  ILE  18          1HG1      ILE  18  19.382 -10.264  -6.325
  120   2HG1  ILE  18          2HG1      ILE  18  20.735 -10.369  -7.447
  121   1HG2  ILE  18          1HG2      ILE  18  19.324  -8.327  -9.686
  122   2HG2  ILE  18          2HG2      ILE  18  20.496  -9.662  -9.775
  123   3HG2  ILE  18          3HG2      ILE  18  18.933  -9.810 -10.575
  124   1HD1  ILE  18          1HD1      ILE  18  19.299  -7.803  -6.624
  125   2HD1  ILE  18          2HD1      ILE  18  20.916  -8.339  -6.150
  126   3HD1  ILE  18          3HD1      ILE  18  20.601  -7.897  -7.831
  127    HA   PRO  19           HA       PRO  19  16.821  -6.837  -8.820
  128   1HB   PRO  19          1HB       PRO  19  14.625  -5.426  -9.610
  129   2HB   PRO  19          2HB       PRO  19  16.003  -5.762 -10.696
  130   1HG   PRO  19          1HG       PRO  19  13.397  -7.297 -10.496
  131   2HG   PRO  19          2HG       PRO  19  14.191  -6.679 -11.974
  132   1HD   PRO  19          1HD       PRO  19  14.484  -9.262 -11.129
  133   2HD   PRO  19          2HD       PRO  19  15.843  -8.386 -11.889
  134    HA   PRO  20           HA       PRO  20  14.087  -7.710  -5.279
  135   1HB   PRO  20          1HB       PRO  20  14.395  -5.511  -3.748
  136   2HB   PRO  20          2HB       PRO  20  15.737  -6.656  -4.037
  137   1HG   PRO  20          1HG       PRO  20  15.206  -4.037  -5.452
  138   2HG   PRO  20          2HG       PRO  20  16.748  -4.612  -4.761
  139   1HD   PRO  20          1HD       PRO  20  16.127  -4.879  -7.428
  140   2HD   PRO  20          2HD       PRO  20  17.107  -6.096  -6.555
  141    H    GLN  21           H        GLN  21  11.894  -7.596  -5.151
  142    HA   GLN  21           HA       GLN  21  10.457  -5.213  -6.204
  143   1HB   GLN  21          1HB       GLN  21   8.524  -6.673  -6.161
  144   2HB   GLN  21          2HB       GLN  21   9.717  -7.082  -7.379
  145   1HG   GLN  21          1HG       GLN  21   9.276  -8.570  -4.748
  146   2HG   GLN  21          2HG       GLN  21   8.525  -8.980  -6.287
  147   1HE2  GLN  21          1HE2      GLN  21  11.298  -8.185  -7.631
  148   2HE2  GLN  21          2HE2      GLN  21  12.219  -9.645  -7.402
  149    H    CYS  22           H        CYS  22   9.224  -4.061  -4.866
  150    HA   CYS  22           HA       CYS  22   9.150  -4.727  -1.964
  151   1HB   CYS  22          1HB       CYS  22   9.132  -2.107  -3.439
  152   2HB   CYS  22          2HB       CYS  22   8.609  -2.248  -1.766
  153    H    GLN  23           H        GLN  23   7.242  -4.418  -0.883
  154    HA   GLN  23           HA       GLN  23   4.725  -4.163  -2.446
  155   1HB   GLN  23          1HB       GLN  23   5.427  -6.422  -0.505
  156   2HB   GLN  23          2HB       GLN  23   3.819  -6.099  -1.184
  157   1HG   GLN  23          1HG       GLN  23   4.780  -6.367  -3.482
  158   2HG   GLN  23          2HG       GLN  23   6.317  -6.871  -2.758
  159   1HE2  GLN  23          1HE2      GLN  23   5.663  -8.763  -4.284
  160   2HE2  GLN  23          2HE2      GLN  23   4.764 -10.060  -3.527
  161    H    CYS  24           H        CYS  24   2.862  -4.039  -0.818
  162    HA   CYS  24           HA       CYS  24   3.662  -2.799   1.745
  163   1HB   CYS  24          1HB       CYS  24   1.775  -1.699  -0.326
  164   2HB   CYS  24          2HB       CYS  24   1.532  -1.352   1.390
  165    H    THR  25           H        THR  25   2.634  -3.605   3.444
  166    HA   THR  25           HA       THR  25   0.258  -5.385   3.022
  167    HB   THR  25           HB       THR  25   1.028  -6.612   5.007
  168    HG1  THR  25           HG1      THR  25   2.241  -5.056   6.029
  169   1HG2  THR  25          1HG2      THR  25   3.231  -6.426   2.909
  170   2HG2  THR  25          2HG2      THR  25   2.860  -7.801   3.971
  171   3HG2  THR  25          3HG2      THR  25   1.710  -7.321   2.704
  172    H    ASP  26           H        ASP  26   0.521  -2.403   3.453
  173    HA   ASP  26           HA       ASP  26  -0.568  -1.896   6.063
  174   1HB   ASP  26          1HB       ASP  26   0.603  -0.180   4.828
  175   2HB   ASP  26          2HB       ASP  26  -0.570  -0.272   3.501
  176    HD2  ASP  26           HD2      ASP  26  -2.176   1.166   6.932
  177    H    VAL  27           H        VAL  27  -2.648  -1.291   6.487
  178    HA   VAL  27           HA       VAL  27  -4.866  -2.150   4.722
  179    HB   VAL  27           HB       VAL  27  -4.471  -3.103   7.598
  180   1HG1  VAL  27          1HG1      VAL  27  -6.781  -3.447   5.633
  181   2HG1  VAL  27          2HG1      VAL  27  -6.557  -4.455   7.068
  182   3HG1  VAL  27          3HG1      VAL  27  -6.812  -2.706   7.228
  183   1HG2  VAL  27          1HG2      VAL  27  -3.057  -4.448   6.208
  184   2HG2  VAL  27          2HG2      VAL  27  -4.521  -5.396   6.485
  185   3HG2  VAL  27          3HG2      VAL  27  -4.286  -4.564   4.937
  186    H    ARG  28           H        ARG  28  -6.403  -0.578   4.735
  187    HA   ARG  28           HA       ARG  28  -6.744   1.372   6.864
  188   1HB   ARG  28          1HB       ARG  28  -4.495   1.657   5.159
  189   2HB   ARG  28          2HB       ARG  28  -5.642   2.777   4.490
  190   1HG   ARG  28          1HG       ARG  28  -4.858   2.619   7.452
  191   2HG   ARG  28          2HG       ARG  28  -4.030   3.633   6.271
  192   1HD   ARG  28          1HD       ARG  28  -6.971   3.898   7.000
  193   2HD   ARG  28          2HD       ARG  28  -5.647   4.901   7.618
  194    HE   ARG  28           HE       ARG  28  -5.455   4.989   4.823
  195   1HH1  ARG  28          1HH1      ARG  28  -7.691   6.076   7.352
  196   2HH1  ARG  28          2HH1      ARG  28  -8.328   7.392   6.398
  197   1HH2  ARG  28          1HH2      ARG  28  -6.256   6.735   3.603
  198   2HH2  ARG  28          2HH2      ARG  28  -7.483   7.789   4.262
  199    H    GLU  29           H        GLU  29  -7.569   3.454   5.004
  200    HA   GLU  29           HA       GLU  29 -10.170   2.439   4.214
  201   1HB   GLU  29          1HB       GLU  29  -9.498   4.689   5.332
  202   2HB   GLU  29          2HB       GLU  29  -9.027   5.207   3.710
  203   1HG   GLU  29          1HG       GLU  29 -11.411   4.677   2.990
  204   2HG   GLU  29          2HG       GLU  29 -11.764   4.243   4.666
  205    HE2  GLU  29           HE2      GLU  29 -12.896   7.643   4.397
  206    H    LYS  30           H        LYS  30  -9.822   4.592   1.830
  207    HA   LYS  30           HA       LYS  30  -9.621   2.597  -0.170
  208   1HB   LYS  30          1HB       LYS  30  -9.340   5.604  -0.451
  209   2HB   LYS  30          2HB       LYS  30  -9.692   4.473  -1.743
  210   1HG   LYS  30          1HG       LYS  30 -11.550   5.105   0.587
  211   2HG   LYS  30          2HG       LYS  30 -11.694   5.650  -1.088
  212   1HD   LYS  30          1HD       LYS  30 -11.810   3.180  -1.776
  213   2HD   LYS  30          2HD       LYS  30 -11.915   2.796  -0.049
  214   1HE   LYS  30          1HE       LYS  30 -14.141   2.804  -0.852
  215   2HE   LYS  30          2HE       LYS  30 -13.963   4.297   0.083
  216   1HZ   LYS  30          1HZ       LYS  30 -13.826   4.040  -2.849
  217   2HZ   LYS  30          2HZ       LYS  30 -15.097   4.635  -1.990
  218   3HZ   LYS  30          3HZ       LYS  30 -13.669   5.455  -2.016
  219    H    CYS  31           H        CYS  31  -8.168   2.692  -2.034
  220    HA   CYS  31           HA       CYS  31  -5.479   2.203  -1.139
  221   1HB   CYS  31          1HB       CYS  31  -6.243   2.232  -4.030
  222   2HB   CYS  31          2HB       CYS  31  -5.182   1.144  -3.161
  223    H    HIS  32           H        HIS  32  -3.532   3.289  -2.077
  224    HA   HIS  32           HA       HIS  32  -4.039   6.107  -2.189
  225   1HB   HIS  32          1HB       HIS  32  -1.711   6.458  -2.198
  226   2HB   HIS  32          2HB       HIS  32  -2.230   5.443  -0.902
  227    HD1  HIS  32           HD1      HIS  32  -0.003   5.514  -3.953
  228    HD2  HIS  32           HD2      HIS  32  -1.195   2.849  -0.936
  229    HE1  HIS  32           HE1      HIS  32   1.611   3.553  -4.020
  230    HE2  HIS  32           HE2      HIS  32   0.926   1.921  -2.160
  231    H    SER  33           H        SER  33  -2.914   7.536  -3.581
  232    HA   SER  33           HA       SER  33  -3.948   7.646  -6.123
  233   1HB   SER  33          1HB       SER  33  -2.972   9.538  -4.852
  234   2HB   SER  33          2HB       SER  33  -1.358   8.889  -5.195
  235    HG   SER  33           HG       SER  33  -1.886   9.123  -7.447
  236    H    ALA  34           H        ALA  34  -0.839   6.328  -5.148
  237    HA   ALA  34           HA       ALA  34  -0.231   5.469  -7.948
  238   1HB   ALA  34          1HB       ALA  34   2.083   5.450  -7.291
  239   2HB   ALA  34          2HB       ALA  34   1.392   6.983  -6.722
  240   3HB   ALA  34          3HB       ALA  34   1.663   5.649  -5.577
  241    H    CYS  35           H        CYS  35  -2.136   4.035  -6.240
  242    HA   CYS  35           HA       CYS  35  -0.682   1.497  -5.727
  243   1HB   CYS  35          1HB       CYS  35  -2.182   2.437  -3.938
  244   2HB   CYS  35          2HB       CYS  35  -3.550   2.162  -5.023
  245    H    LYS  36           H        LYS  36  -0.831  -0.110  -7.230
  246    HA   LYS  36           HA       LYS  36  -2.702   0.249  -9.513
  247   1HB   LYS  36          1HB       LYS  36  -0.127   0.182  -9.735
  248   2HB   LYS  36          2HB       LYS  36  -0.276  -1.559  -9.461
  249   1HG   LYS  36          1HG       LYS  36  -1.901  -1.708 -11.349
  250   2HG   LYS  36          2HG       LYS  36  -1.705   0.036 -11.631
  251   1HD   LYS  36          1HD       LYS  36   0.781  -0.387 -11.944
  252   2HD   LYS  36          2HD       LYS  36   0.432  -2.124 -11.919
  253   1HE   LYS  36          1HE       LYS  36  -0.720  -0.065 -13.872
  254   2HE   LYS  36          2HE       LYS  36   0.584  -1.208 -14.230
  255   1HZ   LYS  36          1HZ       LYS  36  -0.940  -2.996 -13.901
  256   2HZ   LYS  36          2HZ       LYS  36  -2.163  -1.960 -13.512
  257   3HZ   LYS  36          3HZ       LYS  36  -1.533  -1.957 -15.033
  258    H    SER  37           H        SER  37  -1.361  -2.173  -7.323
  259    HA   SER  37           HA       SER  37  -3.705  -3.988  -7.834
  260   1HB   SER  37          1HB       SER  37  -1.552  -5.108  -8.149
  261   2HB   SER  37          2HB       SER  37  -1.018  -4.583  -6.546
  262    HG   SER  37           HG       SER  37  -1.834  -6.686  -6.497
  263    H    CYS  38           H        CYS  38  -5.214  -3.998  -6.297
  264    HA   CYS  38           HA       CYS  38  -4.594  -3.421  -3.487
  265   1HB   CYS  38          1HB       CYS  38  -5.153  -1.212  -4.617
  266   2HB   CYS  38          2HB       CYS  38  -6.732  -1.882  -5.015
  267    H    LEU  39           H        LEU  39  -6.026  -4.464  -2.126
  268    HA   LEU  39           HA       LEU  39  -8.458  -5.690  -3.209
  269   1HB   LEU  39          1HB       LEU  39  -6.612  -7.318  -3.711
  270   2HB   LEU  39          2HB       LEU  39  -6.203  -7.346  -1.996
  271    HG   LEU  39           HG       LEU  39  -8.460  -8.308  -1.498
  272   1HD1  LEU  39          1HD1      LEU  39  -9.795  -7.462  -3.396
  273   2HD1  LEU  39          2HD1      LEU  39  -8.780  -8.375  -4.533
  274   3HD1  LEU  39          3HD1      LEU  39  -9.815  -9.224  -3.368
  275   1HD2  LEU  39          1HD2      LEU  39  -8.006 -10.528  -2.376
  276   2HD2  LEU  39          2HD2      LEU  39  -6.930  -9.858  -3.623
  277   3HD2  LEU  39          3HD2      LEU  39  -6.473  -9.773  -1.920
  278    H    CYS  40           H        CYS  40  -9.875  -6.402  -1.526
  279    HA   CYS  40           HA       CYS  40  -9.287  -5.191   1.132
  280   1HB   CYS  40          1HB       CYS  40 -11.973  -5.133  -0.272
  281   2HB   CYS  40          2HB       CYS  40 -11.476  -4.208   1.142
  282    H    THR  41           H        THR  41 -10.818  -5.854   2.826
  283    HA   THR  41           HA       THR  41 -11.259  -8.776   2.786
  284    HB   THR  41           HB       THR  41 -12.043  -8.336   5.112
  285    HG1  THR  41           HG1      THR  41 -12.558  -6.067   4.597
  286   1HG2  THR  41          1HG2      THR  41  -9.730  -8.991   4.677
  287   2HG2  THR  41          2HG2      THR  41  -9.261  -7.284   4.475
  288   3HG2  THR  41          3HG2      THR  41  -9.840  -7.876   6.052
  289    H    ARG  42           H        ARG  42 -13.318  -9.694   3.145
  290    HA   ARG  42           HA       ARG  42 -15.622  -8.149   2.145
  291   1HB   ARG  42          1HB       ARG  42 -16.738 -10.253   2.018
  292   2HB   ARG  42          2HB       ARG  42 -15.173 -10.350   1.203
  293   1HG   ARG  42          1HG       ARG  42 -14.236 -11.537   3.169
  294   2HG   ARG  42          2HG       ARG  42 -15.817 -11.422   3.978
  295   1HD   ARG  42          1HD       ARG  42 -16.845 -12.706   2.114
  296   2HD   ARG  42          2HD       ARG  42 -15.245 -12.856   1.352
  297    HE   ARG  42           HE       ARG  42 -15.122 -13.799   4.043
  298   1HH1  ARG  42          1HH1      ARG  42 -16.488 -14.729   0.900
  299   2HH1  ARG  42          2HH1      ARG  42 -16.452 -16.438   1.246
  300   1HH2  ARG  42          1HH2      ARG  42 -15.085 -16.046   4.488
  301   2HH2  ARG  42          2HH2      ARG  42 -15.653 -17.190   3.301
  302    H    SER  43           H        SER  43 -14.235  -7.919   5.008
  303    HA   SER  43           HA       SER  43 -16.284  -8.744   6.818
  304   1HB   SER  43          1HB       SER  43 -14.843  -7.567   8.461
  305   2HB   SER  43          2HB       SER  43 -13.963  -8.712   7.485
  306    HG   SER  43           HG       SER  43 -13.074  -7.003   6.342
  307    H    PHE  44           H        PHE  44 -16.700  -6.881   8.520
  308    HA   PHE  44           HA       PHE  44 -17.669  -4.408   7.209
  309   1HB   PHE  44          1HB       PHE  44 -19.548  -5.941   7.371
  310   2HB   PHE  44          2HB       PHE  44 -19.308  -6.090   9.109
  311    HD1  PHE  44           HD1      PHE  44 -20.096  -3.659   6.366
  312    HD2  PHE  44           HD2      PHE  44 -20.180  -4.411  10.615
  313    HE1  PHE  44           HE1      PHE  44 -21.390  -1.571   6.716
  314    HE2  PHE  44           HE2      PHE  44 -21.477  -2.327  10.953
  315    HZ   PHE  44           HZ       PHE  44 -22.059  -0.890   9.011
  316    HA   PRO  45           HA       PRO  45 -17.291  -2.299   7.531
  317   1HB   PRO  45          1HB       PRO  45 -15.231  -0.548   7.813
  318   2HB   PRO  45          2HB       PRO  45 -16.732  -0.463   8.781
  319   1HG   PRO  45          1HG       PRO  45 -14.111  -1.757   9.590
  320   2HG   PRO  45          2HG       PRO  45 -15.073  -0.562  10.511
  321   1HD   PRO  45          1HD       PRO  45 -15.317  -3.232  10.977
  322   2HD   PRO  45          2HD       PRO  45 -16.755  -2.175  11.005
  323    HA   PRO  46           HA       PRO  46 -14.223  -4.634   5.115
  324   1HB   PRO  46          1HB       PRO  46 -14.529  -3.533   2.653
  325   2HB   PRO  46          2HB       PRO  46 -15.793  -4.547   3.407
  326   1HG   PRO  46          1HG       PRO  46 -15.652  -1.517   3.379
  327   2HG   PRO  46          2HG       PRO  46 -17.038  -2.554   2.938
  328   1HD   PRO  46          1HD       PRO  46 -16.795  -1.451   5.420
  329   2HD   PRO  46          2HD       PRO  46 -17.463  -3.097   5.199
  330    H    GLN  47           H        GLN  47 -12.059  -4.324   5.239
  331    HA   GLN  47           HA       GLN  47 -10.943  -1.565   5.161
  332   1HB   GLN  47          1HB       GLN  47  -9.953  -4.212   6.314
  333   2HB   GLN  47          2HB       GLN  47  -9.036  -2.708   6.290
  334   1HG   GLN  47          1HG       GLN  47 -11.696  -3.150   7.716
  335   2HG   GLN  47          2HG       GLN  47 -10.108  -3.108   8.487
  336   1HE2  GLN  47          1HE2      GLN  47  -8.771  -0.995   7.749
  337   2HE2  GLN  47          2HE2      GLN  47  -9.674   0.492   7.945
  338    H    CYS  48           H        CYS  48  -9.629  -1.033   3.499
  339    HA   CYS  48           HA       CYS  48  -9.050  -3.114   1.462
  340   1HB   CYS  48          1HB       CYS  48  -9.492  -0.148   1.312
  341   2HB   CYS  48          2HB       CYS  48  -8.775  -1.065  -0.001
  342    H    ARG  49           H        ARG  49  -7.079  -3.152   0.469
  343    HA   ARG  49           HA       ARG  49  -4.801  -2.245   2.161
  344   1HB   ARG  49          1HB       ARG  49  -5.059  -5.040   1.185
  345   2HB   ARG  49          2HB       ARG  49  -4.152  -4.418   2.548
  346   1HG   ARG  49          1HG       ARG  49  -6.246  -4.111   3.767
  347   2HG   ARG  49          2HG       ARG  49  -7.210  -4.702   2.414
  348   1HD   ARG  49          1HD       ARG  49  -5.031  -6.447   3.560
  349   2HD   ARG  49          2HD       ARG  49  -6.626  -6.324   4.310
  350    HE   ARG  49           HE       ARG  49  -7.684  -7.291   2.507
  351   1HH1  ARG  49          1HH1      ARG  49  -4.205  -7.034   1.727
  352   2HH1  ARG  49          2HH1      ARG  49  -4.338  -8.137   0.381
  353   1HH2  ARG  49          1HH2      ARG  49  -7.800  -8.673   0.744
  354   2HH2  ARG  49          2HH2      ARG  49  -6.362  -9.046  -0.173
  355    H    CYS  50           H        CYS  50  -3.236  -1.475   0.851
  356    HA   CYS  50           HA       CYS  50  -3.442  -1.853  -2.063
  357   1HB   CYS  50          1HB       CYS  50  -2.983   0.392  -1.189
  358   2HB   CYS  50          2HB       CYS  50  -1.520  -0.201  -0.385
  359    H    TYR  51           H        TYR  51  -2.319  -3.356  -3.144
  360    HA   TYR  51           HA       TYR  51   0.009  -4.713  -1.865
  361   1HB   TYR  51          1HB       TYR  51  -2.491  -5.814  -2.571
  362   2HB   TYR  51          2HB       TYR  51  -1.481  -6.256  -3.907
  363    HD1  TYR  51           HD1      TYR  51  -1.611  -6.267  -0.160
  364    HD2  TYR  51           HD2      TYR  51   0.064  -8.087  -3.694
  365    HE1  TYR  51           HE1      TYR  51  -0.559  -8.020   1.239
  366    HE2  TYR  51           HE2      TYR  51   1.061  -9.873  -2.298
  367    HH   TYR  51           HH       TYR  51   1.315 -10.728  -0.175
  368    H    ASP  52           H        ASP  52  -0.077  -2.319  -3.648
  369    HA   ASP  52           HA       ASP  52   0.571  -2.933  -6.297
  370   1HB   ASP  52          1HB       ASP  52   0.055  -0.684  -5.397
  371   2HB   ASP  52          2HB       ASP  52   1.613  -0.661  -4.553
  372    HD2  ASP  52           HD2      ASP  52   2.788   1.026  -7.361
  373    H    ILE  53           H        ILE  53   2.555  -3.207  -7.401
  374    HA   ILE  53           HA       ILE  53   4.777  -4.274  -5.715
  375    HB   ILE  53           HB       ILE  53   4.357  -4.629  -8.696
  376   1HG1  ILE  53          1HG1      ILE  53   2.509  -5.758  -7.671
  377   2HG1  ILE  53          2HG1      ILE  53   3.699  -6.957  -8.175
  378   1HG2  ILE  53          1HG2      ILE  53   6.064  -6.435  -8.373
  379   2HG2  ILE  53          2HG2      ILE  53   6.693  -4.833  -7.990
  380   3HG2  ILE  53          3HG2      ILE  53   6.251  -5.933  -6.682
  381   1HD1  ILE  53          1HD1      ILE  53   2.789  -7.531  -5.989
  382   2HD1  ILE  53          2HD1      ILE  53   4.505  -7.124  -5.810
  383   3HD1  ILE  53          3HD1      ILE  53   3.248  -5.960  -5.325
  384    H    THR  54           H        THR  54   6.629  -3.219  -5.679
  385    HA   THR  54           HA       THR  54   7.120  -0.880  -7.428
  386    HB   THR  54           HB       THR  54   7.616   0.409  -5.290
  387    HG1  THR  54           HG1      THR  54   6.253  -1.782  -4.114
  388   1HG2  THR  54          1HG2      THR  54   5.332   0.994  -4.791
  389   2HG2  THR  54          2HG2      THR  54   5.472   0.709  -6.535
  390   3HG2  THR  54          3HG2      THR  54   4.726  -0.517  -5.485
  391    H    ASP  55           H        ASP  55   9.371   0.051  -6.303
  392    HA   ASP  55           HA       ASP  55  11.204  -2.249  -5.800
  393   1HB   ASP  55          1HB       ASP  55  11.135  -0.962  -8.170
  394   2HB   ASP  55          2HB       ASP  55  12.182   0.163  -7.307
  395    HD2  ASP  55           HD2      ASP  55  14.643  -2.500  -6.810
  396    H    PHE  56           H        PHE  56   9.670   0.011  -4.289
  397    HA   PHE  56           HA       PHE  56  11.824   1.060  -2.585
  398   1HB   PHE  56          1HB       PHE  56  10.868   3.398  -3.149
  399   2HB   PHE  56          2HB       PHE  56  11.922   2.633  -4.315
  400    HD1  PHE  56           HD1      PHE  56   8.328   3.376  -3.531
  401    HD2  PHE  56           HD2      PHE  56  11.167   2.210  -6.565
  402    HE1  PHE  56           HE1      PHE  56   6.546   3.450  -5.249
  403    HE2  PHE  56           HE2      PHE  56   9.375   2.300  -8.273
  404    HZ   PHE  56           HZ       PHE  56   7.056   2.908  -7.614
  405    H    CYS  57           H        CYS  57  10.736   2.738  -1.096
  406    HA   CYS  57           HA       CYS  57   8.048   1.808  -0.164
  407   1HB   CYS  57          1HB       CYS  57   9.747   0.928   1.324
  408   2HB   CYS  57          2HB       CYS  57  10.474   2.536   1.499
  409    H    TYR  58           H        TYR  58   6.698   3.388   0.575
  410    HA   TYR  58           HA       TYR  58   7.290   6.190  -0.148
  411   1HB   TYR  58          1HB       TYR  58   4.782   4.605   0.545
  412   2HB   TYR  58          2HB       TYR  58   4.782   6.345   0.362
  413    HD1  TYR  58           HD1      TYR  58   4.281   3.297  -1.382
  414    HD2  TYR  58           HD2      TYR  58   5.805   7.302  -1.881
  415    HE1  TYR  58           HE1      TYR  58   3.959   3.122  -3.832
  416    HE2  TYR  58           HE2      TYR  58   5.456   7.134  -4.323
  417    HH   TYR  58           HH       TYR  58   4.689   5.833  -6.060
  418    HA   PRO  59           HA       PRO  59   7.624   7.313   4.180
  419   1HB   PRO  59          1HB       PRO  59   6.395   9.775   4.289
  420   2HB   PRO  59          2HB       PRO  59   7.989   9.493   3.529
  421   1HG   PRO  59          1HG       PRO  59   5.288   9.600   2.159
  422   2HG   PRO  59          2HG       PRO  59   6.789  10.465   1.701
  423   1HD   PRO  59          1HD       PRO  59   6.084   8.164   0.487
  424   2HD   PRO  59          2HD       PRO  59   7.795   8.460   0.903
  425    H    SER  60           H        SER  60   6.260   7.742   6.149
  426    HA   SER  60           HA       SER  60   4.241   5.848   6.229
  427   1HB   SER  60          1HB       SER  60   3.893   7.178   8.553
  428   2HB   SER  60          2HB       SER  60   5.118   5.952   8.236
  429    HG   SER  60           HG       SER  60   6.032   7.861   9.121
  430    H    CYS  61           H        CYS  61   2.086   5.896   6.319
  431    HA   CYS  61           HA       CYS  61   0.723   8.211   5.173
  432   1HB   CYS  61          1HB       CYS  61   0.326   5.582   4.849
  433   2HB   CYS  61          2HB       CYS  61  -0.822   5.831   6.151
  434    H    SER  62           H        SER  62  -1.559   8.671   6.119
  435    HA   SER  62           HA       SER  62  -1.800   8.569   9.027
  436   1HB   SER  62          1HB       SER  62  -1.906  11.172   7.428
  437   2HB   SER  62          2HB       SER  62  -2.322  10.954   9.134
  438    HG   SER  62           HG       SER  62  -0.097  10.135   9.356
  Start of MODEL    3
    1   1H    THR   1          1H        THR   1  -6.209  15.426   9.990
    2   2H    THR   1          2H        THR   1  -7.417  14.853   9.021
    3   3H    THR   1          3H        THR   1  -5.883  14.966   8.435
    4    HA   THR   1           HA       THR   1  -7.582  17.213   9.207
    5    HB   THR   1           HB       THR   1  -5.785  18.553   8.068
    6    HG1  THR   1           HG1      THR   1  -4.126  16.325   8.620
    7   1HG2  THR   1          1HG2      THR   1  -6.036  18.597  10.495
    8   2HG2  THR   1          2HG2      THR   1  -4.997  17.160  10.658
    9   3HG2  THR   1          3HG2      THR   1  -4.328  18.680  10.027
   10    H    LYS   2           H        LYS   2  -8.450  18.436   7.516
   11    HA   LYS   2           HA       LYS   2  -8.934  17.114   4.952
   12   1HB   LYS   2          1HB       LYS   2 -10.683  18.450   6.081
   13   2HB   LYS   2          2HB       LYS   2  -9.633  19.865   6.057
   14   1HG   LYS   2          1HG       LYS   2 -11.218  20.134   4.342
   15   2HG   LYS   2          2HG       LYS   2  -9.688  19.801   3.526
   16   1HD   LYS   2          1HD       LYS   2 -10.365  17.458   3.152
   17   2HD   LYS   2          2HD       LYS   2 -11.878  17.725   4.036
   18   1HE   LYS   2          1HE       LYS   2 -11.043  19.174   1.474
   19   2HE   LYS   2          2HE       LYS   2 -12.142  17.786   1.549
   20   1HZ   LYS   2          1HZ       LYS   2 -13.620  19.096   2.893
   21   2HZ   LYS   2          2HZ       LYS   2 -12.615  20.400   2.797
   22   3HZ   LYS   2          3HZ       LYS   2 -13.341  19.819   1.440
   23    H    SER   3           H        SER   3  -6.770  16.879   4.202
   24    HA   SER   3           HA       SER   3  -5.463  19.291   3.114
   25   1HB   SER   3          1HB       SER   3  -4.075  17.374   5.048
   26   2HB   SER   3          2HB       SER   3  -3.335  18.759   4.221
   27    HG   SER   3           HG       SER   3  -5.006  20.037   5.326
   28    H    THR   4           H        THR   4  -3.384  18.510   1.923
   29    HA   THR   4           HA       THR   4  -4.203  16.741  -0.096
   30    HB   THR   4           HB       THR   4  -2.567  18.521  -0.428
   31    HG1  THR   4           HG1      THR   4  -2.622  16.786  -1.856
   32   1HG2  THR   4          1HG2      THR   4  -1.227  18.234   1.694
   33   2HG2  THR   4          2HG2      THR   4  -0.528  16.753   1.000
   34   3HG2  THR   4          3HG2      THR   4  -0.245  18.316   0.222
   35    H    THR   5           H        THR   5  -3.910  14.629  -0.506
   36    HA   THR   5           HA       THR   5  -2.610  12.888   1.548
   37    HB   THR   5           HB       THR   5  -4.914  12.669   1.899
   38    HG1  THR   5           HG1      THR   5  -4.058  10.615   0.155
   39   1HG2  THR   5          1HG2      THR   5  -6.556  12.066   0.145
   40   2HG2  THR   5          2HG2      THR   5  -5.927  13.705  -0.043
   41   3HG2  THR   5          3HG2      THR   5  -5.350  12.406  -1.107
   42    H    THR   6           H        THR   6  -0.731  13.290   0.169
   43    HA   THR   6           HA       THR   6  -0.542  12.346  -2.514
   44    HB   THR   6           HB       THR   6   1.866  12.476  -2.115
   45    HG1  THR   6           HG1      THR   6   1.144  12.927   0.590
   46   1HG2  THR   6          1HG2      THR   6   0.433  14.825  -0.799
   47   2HG2  THR   6          2HG2      THR   6   2.048  14.828  -1.524
   48   3HG2  THR   6          3HG2      THR   6   0.622  14.573  -2.548
   49    H    ALA   7           H        ALA   7   1.034  10.571  -3.112
   50    HA   ALA   7           HA       ALA   7   0.152   8.001  -2.296
   51   1HB   ALA   7          1HB       ALA   7   2.155   7.208  -3.537
   52   2HB   ALA   7          2HB       ALA   7   1.139   8.337  -4.465
   53   3HB   ALA   7          3HB       ALA   7   2.668   8.893  -3.741
   54    H    CYS   8           H        CYS   8   0.256   7.481  -0.179
   55    HA   CYS   8           HA       CYS   8   2.950   7.510   1.162
   56   1HB   CYS   8          1HB       CYS   8   1.953   7.966   3.189
   57   2HB   CYS   8          2HB       CYS   8   1.212   9.099   2.110
   58    H    CYS   9           H        CYS   9   2.693   6.099   3.128
   59    HA   CYS   9           HA       CYS   9   1.642   3.436   2.989
   60   1HB   CYS   9          1HB       CYS   9   3.168   3.381   1.008
   61   2HB   CYS   9          2HB       CYS   9   4.485   3.987   2.006
   62    H    ASP  10           H        ASP  10   3.067   2.126   4.764
   63    HA   ASP  10           HA       ASP  10   4.920   3.894   6.228
   64   1HB   ASP  10          1HB       ASP  10   2.693   4.149   7.367
   65   2HB   ASP  10          2HB       ASP  10   2.748   2.426   7.753
   66    HD2  ASP  10           HD2      ASP  10   4.417   4.884  10.241
   67    H    PHE  11           H        PHE  11   3.366   0.623   6.481
   68    HA   PHE  11           HA       PHE  11   6.040  -0.529   6.997
   69   1HB   PHE  11          1HB       PHE  11   3.967  -2.518   6.926
   70   2HB   PHE  11          2HB       PHE  11   5.053  -2.040   8.203
   71    HD1  PHE  11           HD1      PHE  11   1.681  -2.415   7.391
   72    HD2  PHE  11           HD2      PHE  11   4.361   0.285   9.424
   73    HE1  PHE  11           HE1      PHE  11  -0.152  -1.732   8.895
   74    HE2  PHE  11           HE2      PHE  11   2.491   1.062  10.846
   75    HZ   PHE  11           HZ       PHE  11   0.239   0.026  10.625
   76    H    CYS  12           H        CYS  12   7.171  -0.743   5.146
   77    HA   CYS  12           HA       CYS  12   5.893  -2.007   2.778
   78   1HB   CYS  12          1HB       CYS  12   7.605  -0.848   1.465
   79   2HB   CYS  12          2HB       CYS  12   6.403   0.164   2.236
   80    HA   PRO  13           HA       PRO  13   9.201  -5.004   4.098
   81   1HB   PRO  13          1HB       PRO  13   7.702  -7.289   3.896
   82   2HB   PRO  13          2HB       PRO  13   7.747  -6.285   5.373
   83   1HG   PRO  13          1HG       PRO  13   5.693  -6.192   3.145
   84   2HG   PRO  13          2HG       PRO  13   5.392  -6.324   4.907
   85   1HD   PRO  13          1HD       PRO  13   5.278  -3.947   3.635
   86   2HD   PRO  13          2HD       PRO  13   6.015  -4.056   5.258
   87    H    CYS  14           H        CYS  14  10.205  -6.520   2.650
   88    HA   CYS  14           HA       CYS  14   9.294  -6.489  -0.155
   89   1HB   CYS  14          1HB       CYS  14  12.119  -5.804   0.746
   90   2HB   CYS  14          2HB       CYS  14  11.447  -5.630  -0.867
   91    H    THR  15           H        THR  15  10.666  -7.865  -1.544
   92    HA   THR  15           HA       THR  15  11.561 -10.358  -0.247
   93    HB   THR  15           HB       THR  15  11.948 -11.057  -2.585
   94    HG1  THR  15           HG1      THR  15  11.595  -9.709  -4.240
   95   1HG2  THR  15          1HG2      THR  15   9.692 -11.365  -1.566
   96   2HG2  THR  15          2HG2      THR  15   9.187  -9.805  -2.253
   97   3HG2  THR  15          3HG2      THR  15   9.629 -11.146  -3.326
   98    H    ARG  16           H        ARG  16  13.738 -11.161  -0.770
   99    HA   ARG  16           HA       ARG  16  15.805  -9.017  -1.151
  100   1HB   ARG  16          1HB       ARG  16  16.011 -11.730   0.201
  101   2HB   ARG  16          2HB       ARG  16  17.334 -10.575  -0.055
  102   1HG   ARG  16          1HG       ARG  16  16.111  -8.882   1.312
  103   2HG   ARG  16          2HG       ARG  16  14.848 -10.085   1.630
  104   1HD   ARG  16          1HD       ARG  16  16.554 -11.569   2.711
  105   2HD   ARG  16          2HD       ARG  16  17.804 -10.376   2.338
  106    HE   ARG  16           HE       ARG  16  17.244  -9.201   4.177
  107   1HH1  ARG  16          1HH1      ARG  16  14.415 -11.186   3.349
  108   2HH1  ARG  16          2HH1      ARG  16  13.480 -10.643   4.717
  109   1HH2  ARG  16          1HH2      ARG  16  16.031  -8.548   5.993
  110   2HH2  ARG  16          2HH2      ARG  16  14.415  -9.153   6.241
  111    H    SER  17           H        SER  17  14.252 -10.144  -3.316
  112    HA   SER  17           HA       SER  17  15.900 -12.164  -4.620
  113   1HB   SER  17          1HB       SER  17  14.120 -11.883  -6.388
  114   2HB   SER  17          2HB       SER  17  13.546 -12.367  -4.805
  115    HG   SER  17           HG       SER  17  13.480  -9.772  -5.946
  116    H    ILE  18           H        ILE  18  16.026 -11.617  -7.103
  117    HA   ILE  18           HA       ILE  18  17.580  -9.109  -7.438
  118    HB   ILE  18           HB       ILE  18  19.052 -10.878  -7.170
  119   1HG1  ILE  18          1HG1      ILE  18  20.280 -10.944  -9.305
  120   2HG1  ILE  18          2HG1      ILE  18  18.870 -10.337 -10.175
  121   1HG2  ILE  18          1HG2      ILE  18  17.652 -12.851  -7.607
  122   2HG2  ILE  18          2HG2      ILE  18  17.752 -12.537  -9.353
  123   3HG2  ILE  18          3HG2      ILE  18  19.207 -12.906  -8.428
  124   1HD1  ILE  18          1HD1      ILE  18  20.591  -8.595  -9.669
  125   2HD1  ILE  18          2HD1      ILE  18  19.011  -8.198  -8.981
  126   3HD1  ILE  18          3HD1      ILE  18  20.301  -8.839  -7.934
  127    HA   PRO  19           HA       PRO  19  16.810  -7.236  -7.981
  128   1HB   PRO  19          1HB       PRO  19  14.904  -5.471  -8.640
  129   2HB   PRO  19          2HB       PRO  19  16.252  -5.857  -9.744
  130   1HG   PRO  19          1HG       PRO  19  13.442  -6.996  -9.792
  131   2HG   PRO  19          2HG       PRO  19  14.364  -6.296 -11.155
  132   1HD   PRO  19          1HD       PRO  19  14.270  -8.996 -10.669
  133   2HD   PRO  19          2HD       PRO  19  15.735  -8.212 -11.327
  134    HA   PRO  20           HA       PRO  20  13.750  -8.004  -4.731
  135   1HB   PRO  20          1HB       PRO  20  14.005  -5.869  -3.117
  136   2HB   PRO  20          2HB       PRO  20  15.350  -7.022  -3.366
  137   1HG   PRO  20          1HG       PRO  20  14.924  -4.377  -4.799
  138   2HG   PRO  20          2HG       PRO  20  16.399  -4.926  -3.951
  139   1HD   PRO  20          1HD       PRO  20  16.094  -5.226  -6.641
  140   2HD   PRO  20          2HD       PRO  20  16.906  -6.483  -5.663
  141    H    GLN  21           H        GLN  21  11.587  -7.509  -4.232
  142    HA   GLN  21           HA       GLN  21  10.302  -5.145  -5.523
  143   1HB   GLN  21          1HB       GLN  21   9.386  -8.038  -5.243
  144   2HB   GLN  21          2HB       GLN  21   8.312  -6.704  -5.627
  145   1HG   GLN  21          1HG       GLN  21   8.860  -6.789  -7.806
  146   2HG   GLN  21          2HG       GLN  21  10.566  -6.554  -7.445
  147   1HE2  GLN  21          1HE2      GLN  21  11.836  -8.514  -6.790
  148   2HE2  GLN  21          2HE2      GLN  21  11.387 -10.058  -7.478
  149    H    CYS  22           H        CYS  22   9.121  -3.962  -4.148
  150    HA   CYS  22           HA       CYS  22   8.650  -4.917  -1.371
  151   1HB   CYS  22          1HB       CYS  22   8.895  -2.090  -2.425
  152   2HB   CYS  22          2HB       CYS  22   8.542  -2.545  -0.762
  153    H    GLN  23           H        GLN  23   6.668  -4.470  -0.404
  154    HA   GLN  23           HA       GLN  23   4.507  -3.305  -2.053
  155   1HB   GLN  23          1HB       GLN  23   4.307  -5.704  -2.399
  156   2HB   GLN  23          2HB       GLN  23   4.368  -6.019  -0.654
  157   1HG   GLN  23          1HG       GLN  23   2.234  -5.050  -0.269
  158   2HG   GLN  23          2HG       GLN  23   2.248  -4.201  -1.823
  159   1HE2  GLN  23          1HE2      GLN  23   2.357  -5.640  -3.814
  160   2HE2  GLN  23          2HE2      GLN  23   1.420  -7.120  -3.796
  161    H    CYS  24           H        CYS  24   2.812  -2.443  -0.771
  162    HA   CYS  24           HA       CYS  24   3.668  -1.619   1.967
  163   1HB   CYS  24          1HB       CYS  24   1.975  -0.383  -0.198
  164   2HB   CYS  24          2HB       CYS  24   1.870   0.154   1.483
  165    H    THR  25           H        THR  25   2.721  -2.545   3.567
  166    HA   THR  25           HA       THR  25   0.368  -4.294   3.062
  167    HB   THR  25           HB       THR  25   1.314  -5.583   4.977
  168    HG1  THR  25           HG1      THR  25   3.423  -3.685   4.758
  169   1HG2  THR  25          1HG2      THR  25   3.280  -5.081   2.706
  170   2HG2  THR  25          2HG2      THR  25   3.208  -6.504   3.766
  171   3HG2  THR  25          3HG2      THR  25   1.872  -6.161   2.652
  172    H    ASP  26           H        ASP  26   0.518  -1.264   4.111
  173    HA   ASP  26           HA       ASP  26  -0.890  -1.374   6.582
  174   1HB   ASP  26          1HB       ASP  26  -0.817   0.645   4.309
  175   2HB   ASP  26          2HB       ASP  26  -1.600   0.896   5.857
  176    HD2  ASP  26           HD2      ASP  26   1.245   1.236   7.769
  177    H    VAL  27           H        VAL  27  -3.119  -1.022   6.867
  178    HA   VAL  27           HA       VAL  27  -4.938  -1.977   4.719
  179    HB   VAL  27           HB       VAL  27  -4.882  -3.034   7.577
  180   1HG1  VAL  27          1HG1      VAL  27  -6.632  -3.775   5.186
  181   2HG1  VAL  27          2HG1      VAL  27  -6.631  -4.586   6.767
  182   3HG1  VAL  27          3HG1      VAL  27  -7.167  -2.911   6.642
  183   1HG2  VAL  27          1HG2      VAL  27  -3.041  -4.024   6.303
  184   2HG2  VAL  27          2HG2      VAL  27  -4.330  -5.216   6.465
  185   3HG2  VAL  27          3HG2      VAL  27  -4.122  -4.348   4.927
  186    H    ARG  28           H        ARG  28  -6.532  -0.526   4.491
  187    HA   ARG  28           HA       ARG  28  -7.436   1.288   6.617
  188   1HB   ARG  28          1HB       ARG  28  -5.141   1.828   4.850
  189   2HB   ARG  28          2HB       ARG  28  -6.367   3.045   4.614
  190   1HG   ARG  28          1HG       ARG  28  -5.315   2.238   7.360
  191   2HG   ARG  28          2HG       ARG  28  -4.607   3.514   6.378
  192   1HD   ARG  28          1HD       ARG  28  -7.519   3.499   7.293
  193   2HD   ARG  28          2HD       ARG  28  -6.222   4.334   8.133
  194    HE   ARG  28           HE       ARG  28  -7.555   5.123   5.667
  195   1HH1  ARG  28          1HH1      ARG  28  -4.599   5.575   7.605
  196   2HH1  ARG  28          2HH1      ARG  28  -4.187   7.083   6.837
  197   1HH2  ARG  28          1HH2      ARG  28  -6.965   7.055   4.640
  198   2HH2  ARG  28          2HH2      ARG  28  -5.529   7.918   5.130
  199    H    GLU  29           H        GLU  29  -8.423   3.319   4.885
  200    HA   GLU  29           HA       GLU  29 -10.615   2.021   3.550
  201   1HB   GLU  29          1HB       GLU  29 -10.420   4.314   4.832
  202   2HB   GLU  29          2HB       GLU  29  -9.784   4.938   3.318
  203   1HG   GLU  29          1HG       GLU  29 -12.148   5.382   3.530
  204   2HG   GLU  29          2HG       GLU  29 -11.940   4.210   2.222
  205    HE2  GLU  29           HE2      GLU  29 -13.749   3.062   5.669
  206    H    LYS  30           H        LYS  30 -10.317   4.194   1.284
  207    HA   LYS  30           HA       LYS  30  -9.483   2.324  -0.652
  208   1HB   LYS  30          1HB       LYS  30  -9.592   5.327  -0.971
  209   2HB   LYS  30          2HB       LYS  30  -9.691   4.122  -2.237
  210   1HG   LYS  30          1HG       LYS  30 -11.902   4.004  -2.079
  211   2HG   LYS  30          2HG       LYS  30 -11.808   3.497  -0.392
  212   1HD   LYS  30          1HD       LYS  30 -11.724   5.872   0.323
  213   2HD   LYS  30          2HD       LYS  30 -11.763   6.389  -1.377
  214   1HE   LYS  30          1HE       LYS  30 -13.982   5.349  -1.672
  215   2HE   LYS  30          2HE       LYS  30 -13.953   4.771   0.006
  216   1HZ   LYS  30          1HZ       LYS  30 -13.902   7.046   0.724
  217   2HZ   LYS  30          2HZ       LYS  30 -13.926   7.586  -0.833
  218   3HZ   LYS  30          3HZ       LYS  30 -15.218   6.766  -0.225
  219    H    CYS  31           H        CYS  31  -7.722   2.482  -2.157
  220    HA   CYS  31           HA       CYS  31  -5.206   2.749  -0.765
  221   1HB   CYS  31          1HB       CYS  31  -5.896   1.904  -3.597
  222   2HB   CYS  31          2HB       CYS  31  -4.314   1.839  -2.863
  223    H    HIS  32           H        HIS  32  -3.308   3.718  -2.034
  224    HA   HIS  32           HA       HIS  32  -3.964   6.522  -2.468
  225   1HB   HIS  32          1HB       HIS  32  -1.629   6.927  -2.341
  226   2HB   HIS  32          2HB       HIS  32  -2.242   6.109  -0.950
  227    HD1  HIS  32           HD1      HIS  32   0.385   5.895  -3.569
  228    HD2  HIS  32           HD2      HIS  32  -1.417   3.405  -0.705
  229    HE1  HIS  32           HE1      HIS  32   1.945   3.903  -3.232
  230    HE2  HIS  32           HE2      HIS  32   0.857   2.353  -1.496
  231    H    SER  33           H        SER  33  -2.569   7.691  -4.021
  232    HA   SER  33           HA       SER  33  -3.490   7.245  -6.617
  233   1HB   SER  33          1HB       SER  33  -2.818   9.429  -5.680
  234   2HB   SER  33          2HB       SER  33  -1.124   8.902  -5.758
  235    HG   SER  33           HG       SER  33  -1.669  10.105  -7.588
  236    H    ALA  34           H        ALA  34  -0.495   6.186  -5.141
  237    HA   ALA  34           HA       ALA  34   0.560   5.181  -7.763
  238   1HB   ALA  34          1HB       ALA  34   2.729   5.235  -6.770
  239   2HB   ALA  34          2HB       ALA  34   1.966   6.812  -6.478
  240   3HB   ALA  34          3HB       ALA  34   2.067   5.613  -5.168
  241    H    CYS  35           H        CYS  35  -1.546   3.833  -6.612
  242    HA   CYS  35           HA       CYS  35  -0.349   1.189  -6.193
  243   1HB   CYS  35          1HB       CYS  35  -0.624   1.878  -3.942
  244   2HB   CYS  35          2HB       CYS  35  -2.229   2.549  -4.247
  245    H    LYS  36           H        LYS  36  -1.203   0.076  -7.801
  246    HA   LYS  36           HA       LYS  36  -3.546   1.140  -9.231
  247   1HB   LYS  36          1HB       LYS  36  -1.258  -0.749  -9.924
  248   2HB   LYS  36          2HB       LYS  36  -2.528  -0.257 -11.038
  249   1HG   LYS  36          1HG       LYS  36  -1.826   2.135 -10.760
  250   2HG   LYS  36          2HG       LYS  36  -0.552   1.616  -9.637
  251   1HD   LYS  36          1HD       LYS  36   0.416   0.172 -11.427
  252   2HD   LYS  36          2HD       LYS  36  -0.798   0.806 -12.561
  253   1HE   LYS  36          1HE       LYS  36   0.078   3.110 -12.189
  254   2HE   LYS  36          2HE       LYS  36   1.294   2.465 -11.068
  255   1HZ   LYS  36          1HZ       LYS  36   2.160   2.801 -13.274
  256   2HZ   LYS  36          2HZ       LYS  36   2.210   1.205 -12.863
  257   3HZ   LYS  36          3HZ       LYS  36   1.057   1.752 -13.906
  258    H    SER  37           H        SER  37  -2.274  -1.836  -7.841
  259    HA   SER  37           HA       SER  37  -4.901  -3.211  -8.253
  260   1HB   SER  37          1HB       SER  37  -2.868  -4.388  -8.999
  261   2HB   SER  37          2HB       SER  37  -2.273  -4.397  -7.322
  262    HG   SER  37           HG       SER  37  -4.253  -5.505  -6.793
  263    H    CYS  38           H        CYS  38  -6.169  -2.699  -6.725
  264    HA   CYS  38           HA       CYS  38  -5.333  -2.487  -3.865
  265   1HB   CYS  38          1HB       CYS  38  -6.034  -0.341  -4.906
  266   2HB   CYS  38          2HB       CYS  38  -7.611  -1.054  -5.274
  267    H    LEU  39           H        LEU  39  -6.346  -3.897  -2.579
  268    HA   LEU  39           HA       LEU  39  -8.630  -5.532  -3.575
  269   1HB   LEU  39          1HB       LEU  39  -5.959  -6.369  -3.554
  270   2HB   LEU  39          2HB       LEU  39  -6.540  -6.959  -2.009
  271    HG   LEU  39           HG       LEU  39  -6.734  -8.699  -3.592
  272   1HD1  LEU  39          1HD1      LEU  39  -9.564  -7.644  -3.367
  273   2HD1  LEU  39          2HD1      LEU  39  -9.029  -9.321  -3.546
  274   3HD1  LEU  39          3HD1      LEU  39  -8.668  -8.444  -2.047
  275   1HD2  LEU  39          1HD2      LEU  39  -6.613  -7.323  -5.646
  276   2HD2  LEU  39          2HD2      LEU  39  -7.886  -8.553  -5.728
  277   3HD2  LEU  39          3HD2      LEU  39  -8.312  -6.856  -5.434
  278    H    CYS  40           H        CYS  40  -9.929  -6.394  -1.874
  279    HA   CYS  40           HA       CYS  40  -9.397  -5.334   0.844
  280   1HB   CYS  40          1HB       CYS  40 -12.102  -5.194  -0.493
  281   2HB   CYS  40          2HB       CYS  40 -11.586  -4.367   0.968
  282    H    THR  41           H        THR  41 -10.678  -6.246   2.511
  283    HA   THR  41           HA       THR  41 -11.015  -9.144   2.060
  284    HB   THR  41           HB       THR  41  -9.741  -8.410   3.999
  285    HG1  THR  41           HG1      THR  41 -10.800  -9.776   5.424
  286   1HG2  THR  41          1HG2      THR  41 -10.890  -6.346   4.644
  287   2HG2  THR  41          2HG2      THR  41 -12.371  -7.247   5.028
  288   3HG2  THR  41          3HG2      THR  41 -10.895  -7.494   5.982
  289    H    ARG  42           H        ARG  42 -12.915 -10.280   2.694
  290    HA   ARG  42           HA       ARG  42 -15.427  -8.847   2.120
  291   1HB   ARG  42          1HB       ARG  42 -16.354 -11.055   1.835
  292   2HB   ARG  42          2HB       ARG  42 -14.914 -10.836   0.832
  293   1HG   ARG  42          1HG       ARG  42 -13.581 -12.174   2.400
  294   2HG   ARG  42          2HG       ARG  42 -14.956 -12.276   3.521
  295   1HD   ARG  42          1HD       ARG  42 -14.727 -14.349   2.244
  296   2HD   ARG  42          2HD       ARG  42 -16.257 -13.529   1.875
  297    HE   ARG  42           HE       ARG  42 -14.225 -12.728   0.016
  298   1HH1  ARG  42          1HH1      ARG  42 -16.249 -15.540   0.794
  299   2HH1  ARG  42          2HH1      ARG  42 -16.333 -16.094  -0.859
  300   1HH2  ARG  42          1HH2      ARG  42 -14.352 -13.464  -2.150
  301   2HH2  ARG  42          2HH2      ARG  42 -15.243 -14.914  -2.535
  302    H    SER  43           H        SER  43 -13.708  -9.068   4.847
  303    HA   SER  43           HA       SER  43 -15.470 -10.250   6.721
  304   1HB   SER  43          1HB       SER  43 -13.310  -8.135   7.096
  305   2HB   SER  43          2HB       SER  43 -13.960  -9.213   8.336
  306    HG   SER  43           HG       SER  43 -12.550 -10.026   6.015
  307    H    PHE  44           H        PHE  44 -16.033  -8.679   8.700
  308    HA   PHE  44           HA       PHE  44 -17.411  -6.232   7.709
  309   1HB   PHE  44          1HB       PHE  44 -19.053  -7.902   8.256
  310   2HB   PHE  44          2HB       PHE  44 -18.325  -8.163   9.841
  311    HD1  PHE  44           HD1      PHE  44 -19.962  -5.552   7.688
  312    HD2  PHE  44           HD2      PHE  44 -18.933  -6.772  11.697
  313    HE1  PHE  44           HE1      PHE  44 -21.314  -3.688   8.608
  314    HE2  PHE  44           HE2      PHE  44 -20.300  -4.918  12.608
  315    HZ   PHE  44           HZ       PHE  44 -21.484  -3.366  11.068
  316    HA   PRO  45           HA       PRO  45 -17.183  -4.107   7.967
  317   1HB   PRO  45          1HB       PRO  45 -15.352  -2.113   7.843
  318   2HB   PRO  45          2HB       PRO  45 -16.572  -2.219   9.143
  319   1HG   PRO  45          1HG       PRO  45 -13.699  -3.186   9.245
  320   2HG   PRO  45          2HG       PRO  45 -14.536  -2.126  10.417
  321   1HD   PRO  45          1HD       PRO  45 -14.336  -4.816  10.815
  322   2HD   PRO  45          2HD       PRO  45 -15.826  -3.938  11.260
  323    HA   PRO  46           HA       PRO  46 -14.223  -5.628   4.784
  324   1HB   PRO  46          1HB       PRO  46 -15.123  -4.329   2.582
  325   2HB   PRO  46          2HB       PRO  46 -16.052  -5.657   3.338
  326   1HG   PRO  46          1HG       PRO  46 -16.461  -2.678   3.699
  327   2HG   PRO  46          2HG       PRO  46 -17.696  -3.923   3.360
  328   1HD   PRO  46          1HD       PRO  46 -17.143  -2.983   5.893
  329   2HD   PRO  46          2HD       PRO  46 -17.683  -4.665   5.597
  330    H    GLN  47           H        GLN  47 -12.213  -4.800   4.216
  331    HA   GLN  47           HA       GLN  47 -11.696  -1.903   4.323
  332   1HB   GLN  47          1HB       GLN  47 -11.727  -2.846   6.680
  333   2HB   GLN  47          2HB       GLN  47 -10.319  -3.833   6.247
  334   1HG   GLN  47          1HG       GLN  47  -9.036  -1.794   5.772
  335   2HG   GLN  47          2HG       GLN  47 -10.465  -0.789   6.085
  336   1HE2  GLN  47          1HE2      GLN  47  -7.880  -0.639   7.455
  337   2HE2  GLN  47          2HE2      GLN  47  -8.211  -0.966   9.144
  338    H    CYS  48           H        CYS  48  -9.703  -1.334   3.350
  339    HA   CYS  48           HA       CYS  48  -8.961  -3.380   1.359
  340   1HB   CYS  48          1HB       CYS  48  -9.206  -0.392   1.237
  341   2HB   CYS  48          2HB       CYS  48  -8.667  -1.404  -0.100
  342    H    ARG  49           H        ARG  49  -6.977  -3.094   0.214
  343    HA   ARG  49           HA       ARG  49  -4.576  -2.339   1.773
  344   1HB   ARG  49          1HB       ARG  49  -5.202  -4.516   2.625
  345   2HB   ARG  49          2HB       ARG  49  -5.463  -5.132   0.977
  346   1HG   ARG  49          1HG       ARG  49  -3.070  -4.907   0.499
  347   2HG   ARG  49          2HG       ARG  49  -2.777  -4.254   2.116
  348   1HD   ARG  49          1HD       ARG  49  -2.195  -6.629   2.071
  349   2HD   ARG  49          2HD       ARG  49  -3.627  -6.383   3.083
  350    HE   ARG  49           HE       ARG  49  -4.758  -7.808   1.746
  351   1HH1  ARG  49          1HH1      ARG  49  -2.142  -6.468  -0.279
  352   2HH1  ARG  49          2HH1      ARG  49  -2.652  -7.335  -1.702
  353   1HH2  ARG  49          1HH2      ARG  49  -5.404  -8.897  -0.135
  354   2HH2  ARG  49          2HH2      ARG  49  -4.489  -8.744  -1.612
  355    H    CYS  50           H        CYS  50  -2.696  -2.470   0.437
  356    HA   CYS  50           HA       CYS  50  -3.164  -2.214  -2.482
  357   1HB   CYS  50          1HB       CYS  50  -0.963  -1.433  -0.574
  358   2HB   CYS  50          2HB       CYS  50  -0.609  -1.657  -2.282
  359    H    TYR  51           H        TYR  51  -2.836  -3.849  -3.785
  360    HA   TYR  51           HA       TYR  51  -1.008  -6.072  -3.024
  361   1HB   TYR  51          1HB       TYR  51  -3.615  -6.208  -3.866
  362   2HB   TYR  51          2HB       TYR  51  -2.803  -6.301  -5.412
  363    HD1  TYR  51           HD1      TYR  51  -4.589  -8.378  -4.190
  364    HD2  TYR  51           HD2      TYR  51  -0.307  -7.958  -4.188
  365    HE1  TYR  51           HE1      TYR  51  -4.353 -10.763  -3.569
  366    HE2  TYR  51           HE2      TYR  51  -0.068 -10.324  -3.562
  367    HH   TYR  51           HH       TYR  51  -2.901 -12.441  -2.961
  368    H    ASP  52           H        ASP  52  -0.504  -3.239  -4.127
  369    HA   ASP  52           HA       ASP  52   0.426  -3.641  -6.852
  370   1HB   ASP  52          1HB       ASP  52  -0.688  -1.582  -6.087
  371   2HB   ASP  52          2HB       ASP  52   0.602  -1.300  -4.907
  372    HD2  ASP  52           HD2      ASP  52   2.956  -0.299  -7.338
  373    H    ILE  53           H        ILE  53   2.597  -3.478  -7.504
  374    HA   ILE  53           HA       ILE  53   4.670  -4.142  -5.456
  375    HB   ILE  53           HB       ILE  53   4.531  -4.704  -8.444
  376   1HG1  ILE  53          1HG1      ILE  53   2.980  -6.160  -7.168
  377   2HG1  ILE  53          2HG1      ILE  53   4.292  -7.031  -7.951
  378   1HG2  ILE  53          1HG2      ILE  53   6.663  -5.350  -6.380
  379   2HG2  ILE  53          2HG2      ILE  53   6.573  -6.117  -7.985
  380   3HG2  ILE  53          3HG2      ILE  53   6.839  -4.376  -7.848
  381   1HD1  ILE  53          1HD1      ILE  53   3.821  -7.876  -5.677
  382   2HD1  ILE  53          2HD1      ILE  53   5.481  -7.284  -5.825
  383   3HD1  ILE  53          3HD1      ILE  53   4.253  -6.306  -4.988
  384    H    THR  54           H        THR  54   6.353  -2.759  -5.226
  385    HA   THR  54           HA       THR  54   7.161  -1.065  -7.495
  386    HB   THR  54           HB       THR  54   7.719   0.790  -5.877
  387    HG1  THR  54           HG1      THR  54   7.420  -0.240  -3.920
  388   1HG2  THR  54          1HG2      THR  54   5.549   1.860  -5.949
  389   2HG2  THR  54          2HG2      THR  54   5.765   0.930  -7.448
  390   3HG2  THR  54          3HG2      THR  54   4.734   0.301  -6.139
  391    H    ASP  55           H        ASP  55   9.401  -0.666  -7.471
  392    HA   ASP  55           HA       ASP  55  11.095  -2.520  -6.050
  393   1HB   ASP  55          1HB       ASP  55  11.671   0.074  -7.544
  394   2HB   ASP  55          2HB       ASP  55  12.900  -1.052  -6.960
  395    HD2  ASP  55           HD2      ASP  55  12.154  -3.529  -9.385
  396    H    PHE  56           H        PHE  56   9.980   0.764  -5.545
  397    HA   PHE  56           HA       PHE  56  11.765   1.233  -3.218
  398   1HB   PHE  56          1HB       PHE  56  11.059   3.637  -3.650
  399   2HB   PHE  56          2HB       PHE  56  11.955   2.856  -4.919
  400    HD1  PHE  56           HD1      PHE  56  11.043   2.607  -7.129
  401    HD2  PHE  56           HD2      PHE  56   8.496   3.865  -3.876
  402    HE1  PHE  56           HE1      PHE  56   9.225   3.102  -8.737
  403    HE2  PHE  56           HE2      PHE  56   6.670   4.288  -5.490
  404    HZ   PHE  56           HZ       PHE  56   7.038   3.960  -7.918
  405    H    CYS  57           H        CYS  57  10.528   3.055  -1.840
  406    HA   CYS  57           HA       CYS  57   7.804   2.235  -1.033
  407   1HB   CYS  57          1HB       CYS  57   9.270   0.912   0.349
  408   2HB   CYS  57          2HB       CYS  57  10.279   2.315   0.735
  409    H    TYR  58           H        TYR  58   6.708   3.926   0.056
  410    HA   TYR  58           HA       TYR  58   7.715   6.646  -0.495
  411   1HB   TYR  58          1HB       TYR  58   5.018   5.417   0.199
  412   2HB   TYR  58          2HB       TYR  58   5.278   7.145   0.198
  413    HD1  TYR  58           HD1      TYR  58   4.673   4.221  -1.875
  414    HD2  TYR  58           HD2      TYR  58   5.999   8.326  -1.928
  415    HE1  TYR  58           HE1      TYR  58   4.360   4.298  -4.333
  416    HE2  TYR  58           HE2      TYR  58   5.715   8.389  -4.382
  417    HH   TYR  58           HH       TYR  58   5.216   7.182  -6.281
  418    HA   PRO  59           HA       PRO  59   8.565   7.397   3.821
  419   1HB   PRO  59          1HB       PRO  59   7.740   9.990   4.215
  420   2HB   PRO  59          2HB       PRO  59   9.191   9.551   3.266
  421   1HG   PRO  59          1HG       PRO  59   6.403  10.114   2.215
  422   2HG   PRO  59          2HG       PRO  59   7.943  10.837   1.660
  423   1HD   PRO  59          1HD       PRO  59   6.854   8.748   0.358
  424   2HD   PRO  59          2HD       PRO  59   8.617   8.782   0.633
  425    H    SER  60           H        SER  60   7.480   7.716   5.932
  426    HA   SER  60           HA       SER  60   5.206   6.209   6.024
  427   1HB   SER  60          1HB       SER  60   6.068   8.071   8.191
  428   2HB   SER  60          2HB       SER  60   5.239   6.538   8.354
  429    HG   SER  60           HG       SER  60   7.096   5.516   7.448
  430    H    CYS  61           H        CYS  61   3.110   6.595   6.427
  431    HA   CYS  61           HA       CYS  61   1.963   9.167   5.622
  432   1HB   CYS  61          1HB       CYS  61   1.233   6.720   5.008
  433   2HB   CYS  61          2HB       CYS  61   0.303   6.800   6.491
  434    H    SER  62           H        SER  62  -0.007   9.892   6.822
  435    HA   SER  62           HA       SER  62   0.311   9.899   9.788
  436   1HB   SER  62          1HB       SER  62   0.158  12.093   8.704
  437   2HB   SER  62          2HB       SER  62  -1.371  11.625   7.926
  438    HG   SER  62           HG       SER  62  -1.699  12.811   9.844
  Start of MODEL    4
    1   1H    THR   1          1H        THR   1   2.730  27.484  -3.835
    2   2H    THR   1          2H        THR   1   2.483  25.877  -4.125
    3   3H    THR   1          3H        THR   1   2.156  26.993  -5.300
    4    HA   THR   1           HA       THR   1   0.759  26.850  -2.737
    5    HB   THR   1           HB       THR   1  -0.848  28.377  -3.835
    6    HG1  THR   1           HG1      THR   1  -0.329  27.947  -5.991
    7   1HG2  THR   1          1HG2      THR   1   1.997  29.486  -3.788
    8   2HG2  THR   1          2HG2      THR   1   0.489  30.402  -3.636
    9   3HG2  THR   1          3HG2      THR   1   0.957  29.262  -2.360
   10    H    LYS   2           H        LYS   2   0.724  24.496  -3.082
   11    HA   LYS   2           HA       LYS   2  -1.765  23.695  -4.292
   12   1HB   LYS   2          1HB       LYS   2  -0.308  23.580  -6.284
   13   2HB   LYS   2          2HB       LYS   2   0.862  22.586  -5.401
   14   1HG   LYS   2          1HG       LYS   2  -0.722  20.747  -5.242
   15   2HG   LYS   2          2HG       LYS   2  -2.036  21.765  -5.877
   16   1HD   LYS   2          1HD       LYS   2  -0.797  21.973  -8.024
   17   2HD   LYS   2          2HD       LYS   2   0.478  20.914  -7.377
   18   1HE   LYS   2          1HE       LYS   2  -1.174  19.083  -7.099
   19   2HE   LYS   2          2HE       LYS   2  -2.467  20.150  -7.678
   20   1HZ   LYS   2          1HZ       LYS   2  -1.717  18.754  -9.412
   21   2HZ   LYS   2          2HZ       LYS   2  -1.300  20.308  -9.766
   22   3HZ   LYS   2          3HZ       LYS   2  -0.153  19.246  -9.241
   23    H    SER   3           H        SER   3  -2.398  21.611  -3.493
   24    HA   SER   3           HA       SER   3  -0.591  20.042  -1.840
   25   1HB   SER   3          1HB       SER   3  -3.016  21.462  -0.648
   26   2HB   SER   3          2HB       SER   3  -2.251  20.043   0.093
   27    HG   SER   3           HG       SER   3  -0.774  22.356  -0.573
   28    H    THR   4           H        THR   4  -1.464  17.930  -1.427
   29    HA   THR   4           HA       THR   4  -4.009  17.110  -2.493
   30    HB   THR   4           HB       THR   4  -2.752  17.425  -4.615
   31    HG1  THR   4           HG1      THR   4  -3.059  14.679  -4.065
   32   1HG2  THR   4          1HG2      THR   4  -0.440  17.005  -3.767
   33   2HG2  THR   4          2HG2      THR   4  -0.844  15.285  -3.570
   34   3HG2  THR   4          3HG2      THR   4  -0.843  16.019  -5.183
   35    H    THR   5           H        THR   5  -4.199  14.707  -2.345
   36    HA   THR   5           HA       THR   5  -2.893  13.648   0.062
   37    HB   THR   5           HB       THR   5  -5.181  13.225  -0.029
   38    HG1  THR   5           HG1      THR   5  -3.825  10.899  -0.892
   39   1HG2  THR   5          1HG2      THR   5  -6.321  11.949  -1.821
   40   2HG2  THR   5          2HG2      THR   5  -5.797  13.545  -2.355
   41   3HG2  THR   5          3HG2      THR   5  -4.889  12.101  -2.851
   42    H    THR   6           H        THR   6  -0.738  13.717  -0.752
   43    HA   THR   6           HA       THR   6   0.246  12.402  -3.032
   44    HB   THR   6           HB       THR   6   2.398  12.438  -1.786
   45    HG1  THR   6           HG1      THR   6   1.430  12.123   0.310
   46   1HG2  THR   6          1HG2      THR   6   1.618  14.434  -3.041
   47   2HG2  THR   6          2HG2      THR   6   0.826  15.041  -1.570
   48   3HG2  THR   6          3HG2      THR   6   2.588  14.864  -1.620
   49    H    ALA   7           H        ALA   7   1.334  10.412  -3.309
   50    HA   ALA   7           HA       ALA   7   0.108   8.110  -2.186
   51   1HB   ALA   7          1HB       ALA   7   2.730   8.425  -3.700
   52   2HB   ALA   7          2HB       ALA   7   1.895   6.889  -3.383
   53   3HB   ALA   7          3HB       ALA   7   1.127   8.123  -4.406
   54    H    CYS   8           H        CYS   8   0.343   7.304  -0.207
   55    HA   CYS   8           HA       CYS   8   3.008   7.265   1.093
   56   1HB   CYS   8          1HB       CYS   8   1.937   7.747   3.247
   57   2HB   CYS   8          2HB       CYS   8   2.151   9.077   2.155
   58    H    CYS   9           H        CYS   9   3.105   5.860   2.867
   59    HA   CYS   9           HA       CYS   9   1.402   3.575   3.202
   60   1HB   CYS   9          1HB       CYS   9   2.093   2.973   0.985
   61   2HB   CYS   9          2HB       CYS   9   3.782   3.352   1.322
   62    H    ASP  10           H        ASP  10   2.083   2.414   5.008
   63    HA   ASP  10           HA       ASP  10   4.366   3.574   6.514
   64   1HB   ASP  10          1HB       ASP  10   1.823   2.076   7.294
   65   2HB   ASP  10          2HB       ASP  10   3.145   2.422   8.406
   66    HD2  ASP  10           HD2      ASP  10   0.459   5.222   7.698
   67    H    PHE  11           H        PHE  11   2.745   0.332   6.537
   68    HA   PHE  11           HA       PHE  11   5.298  -1.007   6.931
   69   1HB   PHE  11          1HB       PHE  11   2.642  -2.230   6.199
   70   2HB   PHE  11          2HB       PHE  11   4.031  -3.015   6.944
   71    HD1  PHE  11           HD1      PHE  11   4.275  -0.445   9.012
   72    HD2  PHE  11           HD2      PHE  11   1.274  -3.338   7.888
   73    HE1  PHE  11           HE1      PHE  11   3.200  -0.197  11.214
   74    HE2  PHE  11           HE2      PHE  11   0.183  -3.059  10.087
   75    HZ   PHE  11           HZ       PHE  11   1.136  -1.477  11.762
   76    H    CYS  12           H        CYS  12   6.653  -1.028   5.223
   77    HA   CYS  12           HA       CYS  12   5.644  -1.738   2.511
   78   1HB   CYS  12          1HB       CYS  12   7.186  -0.095   1.625
   79   2HB   CYS  12          2HB       CYS  12   5.934   0.623   2.627
   80    HA   PRO  13           HA       PRO  13   9.317  -4.362   3.861
   81   1HB   PRO  13          1HB       PRO  13   8.222  -6.855   3.539
   82   2HB   PRO  13          2HB       PRO  13   8.023  -5.896   5.034
   83   1HG   PRO  13          1HG       PRO  13   6.101  -6.072   2.693
   84   2HG   PRO  13          2HG       PRO  13   5.740  -6.315   4.431
   85   1HD   PRO  13          1HD       PRO  13   5.289  -3.927   3.248
   86   2HD   PRO  13          2HD       PRO  13   5.991  -3.998   4.890
   87    H    CYS  14           H        CYS  14  10.605  -5.735   2.448
   88    HA   CYS  14           HA       CYS  14   9.728  -5.877  -0.367
   89   1HB   CYS  14          1HB       CYS  14  12.515  -5.110   0.537
   90   2HB   CYS  14          2HB       CYS  14  11.908  -5.143  -1.110
   91    H    THR  15           H        THR  15  10.742  -7.456  -1.589
   92    HA   THR  15           HA       THR  15  11.317  -9.927  -0.127
   93    HB   THR  15           HB       THR  15  11.297 -10.871  -2.456
   94    HG1  THR  15           HG1      THR  15  10.544  -8.235  -3.180
   95   1HG2  THR  15          1HG2      THR  15   8.876  -9.122  -1.812
   96   2HG2  THR  15          2HG2      THR  15   8.910 -10.533  -2.884
   97   3HG2  THR  15          3HG2      THR  15   9.187 -10.738  -1.142
   98    H    ARG  16           H        ARG  16  13.162 -11.276  -0.856
   99    HA   ARG  16           HA       ARG  16  15.660  -9.647  -1.103
  100   1HB   ARG  16          1HB       ARG  16  15.182 -12.436   0.016
  101   2HB   ARG  16          2HB       ARG  16  16.724 -11.564  -0.033
  102   1HG   ARG  16          1HG       ARG  16  15.774  -9.783   1.415
  103   2HG   ARG  16          2HG       ARG  16  14.242 -10.678   1.506
  104   1HD   ARG  16          1HD       ARG  16  15.437 -12.617   2.481
  105   2HD   ARG  16          2HD       ARG  16  16.950 -11.683   2.467
  106    HE   ARG  16           HE       ARG  16  15.082 -10.105   3.818
  107   1HH1  ARG  16          1HH1      ARG  16  16.590 -13.285   4.279
  108   2HH1  ARG  16          2HH1      ARG  16  16.400 -13.266   6.013
  109   1HH2  ARG  16          1HH2      ARG  16  14.839 -10.095   6.105
  110   2HH2  ARG  16          2HH2      ARG  16  15.408 -11.445   7.051
  111    H    SER  17           H        SER  17  13.855 -10.592  -3.375
  112    HA   SER  17           HA       SER  17  15.417 -12.602  -4.794
  113   1HB   SER  17          1HB       SER  17  13.693 -12.013  -6.576
  114   2HB   SER  17          2HB       SER  17  13.052 -12.627  -5.061
  115    HG   SER  17           HG       SER  17  13.212  -9.919  -5.904
  116    H    ILE  18           H        ILE  18  15.695 -11.896  -7.197
  117    HA   ILE  18           HA       ILE  18  17.147  -9.306  -7.339
  118    HB   ILE  18           HB       ILE  18  18.612 -11.179  -6.956
  119   1HG1  ILE  18          1HG1      ILE  18  19.472  -9.178  -7.923
  120   2HG1  ILE  18          2HG1      ILE  18  20.308 -10.602  -8.542
  121   1HG2  ILE  18          1HG2      ILE  18  17.454 -12.963  -8.211
  122   2HG2  ILE  18          2HG2      ILE  18  18.026 -12.247  -9.730
  123   3HG2  ILE  18          3HG2      ILE  18  19.187 -12.833  -8.539
  124   1HD1  ILE  18          1HD1      ILE  18  20.015  -9.061 -10.346
  125   2HD1  ILE  18          2HD1      ILE  18  18.921 -10.415 -10.658
  126   3HD1  ILE  18          3HD1      ILE  18  18.288  -8.875 -10.029
  127    HA   PRO  19           HA       PRO  19  16.643  -7.439  -8.182
  128   1HB   PRO  19          1HB       PRO  19  14.705  -5.695  -8.833
  129   2HB   PRO  19          2HB       PRO  19  16.001  -6.142  -9.980
  130   1HG   PRO  19          1HG       PRO  19  13.209  -7.325  -9.811
  131   2HG   PRO  19          2HG       PRO  19  14.016  -6.644 -11.257
  132   1HD   PRO  19          1HD       PRO  19  14.043  -9.321 -10.727
  133   2HD   PRO  19          2HD       PRO  19  15.484  -8.515 -11.412
  134    HA   PRO  20           HA       PRO  20  13.675  -8.089  -4.794
  135   1HB   PRO  20          1HB       PRO  20  14.076  -5.931  -3.229
  136   2HB   PRO  20          2HB       PRO  20  15.350  -7.165  -3.471
  137   1HG   PRO  20          1HG       PRO  20  15.061  -4.526  -4.941
  138   2HG   PRO  20          2HG       PRO  20  16.516  -5.157  -4.120
  139   1HD   PRO  20          1HD       PRO  20  16.116  -5.479  -6.806
  140   2HD   PRO  20          2HD       PRO  20  16.888  -6.761  -5.826
  141    H    GLN  21           H        GLN  21  11.490  -7.661  -4.612
  142    HA   GLN  21           HA       GLN  21  10.325  -5.226  -5.904
  143   1HB   GLN  21          1HB       GLN  21   9.132  -7.929  -5.165
  144   2HB   GLN  21          2HB       GLN  21   8.234  -6.528  -5.722
  145   1HG   GLN  21          1HG       GLN  21   8.554  -7.188  -7.836
  146   2HG   GLN  21          2HG       GLN  21  10.275  -6.831  -7.664
  147   1HE2  GLN  21          1HE2      GLN  21  11.720  -8.597  -6.985
  148   2HE2  GLN  21          2HE2      GLN  21  11.239 -10.263  -7.205
  149    H    CYS  22           H        CYS  22   9.307  -3.797  -4.584
  150    HA   CYS  22           HA       CYS  22   8.999  -4.423  -1.680
  151   1HB   CYS  22          1HB       CYS  22   9.252  -1.797  -3.111
  152   2HB   CYS  22          2HB       CYS  22   8.905  -1.979  -1.392
  153    H    GLN  23           H        GLN  23   7.057  -4.052  -0.721
  154    HA   GLN  23           HA       GLN  23   4.693  -3.361  -2.374
  155   1HB   GLN  23          1HB       GLN  23   4.989  -6.014  -0.885
  156   2HB   GLN  23          2HB       GLN  23   3.562  -5.438  -1.762
  157   1HG   GLN  23          1HG       GLN  23   4.909  -5.454  -3.878
  158   2HG   GLN  23          2HG       GLN  23   6.274  -6.135  -2.977
  159   1HE2  GLN  23          1HE2      GLN  23   6.497  -8.252  -3.482
  160   2HE2  GLN  23          2HE2      GLN  23   5.177  -9.395  -3.607
  161    H    CYS  24           H        CYS  24   2.762  -3.091  -1.027
  162    HA   CYS  24           HA       CYS  24   3.467  -2.173   1.723
  163   1HB   CYS  24          1HB       CYS  24   1.426  -1.240  -0.294
  164   2HB   CYS  24          2HB       CYS  24   1.340  -0.807   1.419
  165    H    THR  25           H        THR  25   2.427  -2.912   3.459
  166    HA   THR  25           HA       THR  25   0.431  -5.117   3.084
  167    HB   THR  25           HB       THR  25   1.465  -6.089   5.131
  168    HG1  THR  25           HG1      THR  25   3.546  -5.279   5.667
  169   1HG2  THR  25          1HG2      THR  25   3.431  -6.993   4.027
  170   2HG2  THR  25          2HG2      THR  25   2.107  -6.854   2.854
  171   3HG2  THR  25          3HG2      THR  25   3.433  -5.668   2.841
  172    H    ASP  26           H        ASP  26   0.929  -1.996   4.481
  173    HA   ASP  26           HA       ASP  26  -0.631  -2.341   6.826
  174   1HB   ASP  26          1HB       ASP  26   0.861  -0.464   6.540
  175   2HB   ASP  26          2HB       ASP  26  -0.094   0.140   5.166
  176    HD2  ASP  26           HD2      ASP  26  -1.781   0.358   8.876
  177    H    VAL  27           H        VAL  27  -2.689  -1.611   7.265
  178    HA   VAL  27           HA       VAL  27  -4.648  -2.125   5.056
  179    HB   VAL  27           HB       VAL  27  -4.776  -2.999   7.966
  180   1HG1  VAL  27          1HG1      VAL  27  -7.003  -2.554   6.974
  181   2HG1  VAL  27          2HG1      VAL  27  -6.605  -3.606   5.597
  182   3HG1  VAL  27          3HG1      VAL  27  -6.746  -4.287   7.230
  183   1HG2  VAL  27          1HG2      VAL  27  -4.555  -5.297   6.980
  184   2HG2  VAL  27          2HG2      VAL  27  -4.210  -4.565   5.404
  185   3HG2  VAL  27          3HG2      VAL  27  -3.098  -4.326   6.765
  186    H    ARG  28           H        ARG  28  -5.928  -0.448   4.662
  187    HA   ARG  28           HA       ARG  28  -6.652   1.551   6.728
  188   1HB   ARG  28          1HB       ARG  28  -4.948   1.911   4.241
  189   2HB   ARG  28          2HB       ARG  28  -5.936   3.263   4.754
  190   1HG   ARG  28          1HG       ARG  28  -4.173   2.038   6.855
  191   2HG   ARG  28          2HG       ARG  28  -3.411   2.951   5.550
  192   1HD   ARG  28          1HD       ARG  28  -3.921   4.359   7.536
  193   2HD   ARG  28          2HD       ARG  28  -4.667   4.920   6.032
  194    HE   ARG  28           HE       ARG  28  -6.257   3.168   7.812
  195   1HH1  ARG  28          1HH1      ARG  28  -5.583   6.571   7.036
  196   2HH1  ARG  28          2HH1      ARG  28  -7.245   7.062   7.193
  197   1HH2  ARG  28          1HH2      ARG  28  -8.419   3.843   8.083
  198   2HH2  ARG  28          2HH2      ARG  28  -8.839   5.529   7.899
  199    H    GLU  29           H        GLU  29  -7.938   3.374   5.065
  200    HA   GLU  29           HA       GLU  29 -10.169   1.901   3.931
  201   1HB   GLU  29          1HB       GLU  29 -10.250   4.027   5.309
  202   2HB   GLU  29          2HB       GLU  29  -9.518   4.888   3.962
  203   1HG   GLU  29          1HG       GLU  29 -11.958   5.155   4.164
  204   2HG   GLU  29          2HG       GLU  29 -11.527   4.456   2.608
  205    HE2  GLU  29           HE2      GLU  29 -13.368   2.058   5.331
  206    H    LYS  30           H        LYS  30  -9.854   4.425   1.786
  207    HA   LYS  30           HA       LYS  30  -9.293   2.612  -0.300
  208   1HB   LYS  30          1HB       LYS  30  -9.136   5.627  -0.334
  209   2HB   LYS  30          2HB       LYS  30  -9.177   4.610  -1.752
  210   1HG   LYS  30          1HG       LYS  30 -11.473   4.747   0.245
  211   2HG   LYS  30          2HG       LYS  30 -11.363   5.650  -1.270
  212   1HD   LYS  30          1HD       LYS  30 -11.181   3.506  -2.536
  213   2HD   LYS  30          2HD       LYS  30 -11.425   2.611  -1.019
  214   1HE   LYS  30          1HE       LYS  30 -13.625   3.696  -0.718
  215   2HE   LYS  30          2HE       LYS  30 -13.390   4.611  -2.221
  216   1HZ   LYS  30          1HZ       LYS  30 -13.309   2.540  -3.401
  217   2HZ   LYS  30          2HZ       LYS  30 -13.527   1.686  -2.008
  218   3HZ   LYS  30          3HZ       LYS  30 -14.722   2.674  -2.566
  219    H    CYS  31           H        CYS  31  -7.670   2.592  -1.785
  220    HA   CYS  31           HA       CYS  31  -4.997   2.657  -0.608
  221   1HB   CYS  31          1HB       CYS  31  -4.530   1.350  -2.801
  222   2HB   CYS  31          2HB       CYS  31  -5.310   0.607  -1.411
  223    H    HIS  32           H        HIS  32  -3.197   3.466  -1.778
  224    HA   HIS  32           HA       HIS  32  -3.871   6.160  -2.204
  225   1HB   HIS  32          1HB       HIS  32  -1.482   6.604  -2.321
  226   2HB   HIS  32          2HB       HIS  32  -1.982   5.679  -0.944
  227    HD1  HIS  32           HD1      HIS  32  -0.109   5.296  -4.256
  228    HD2  HIS  32           HD2      HIS  32  -0.694   3.314  -0.598
  229    HE1  HIS  32           HE1      HIS  32   1.592   3.420  -4.168
  230    HE2  HIS  32           HE2      HIS  32   1.258   2.173  -1.938
  231    H    SER  33           H        SER  33  -2.763   7.583  -3.687
  232    HA   SER  33           HA       SER  33  -3.911   7.546  -6.201
  233   1HB   SER  33          1HB       SER  33  -3.099   9.545  -5.054
  234   2HB   SER  33          2HB       SER  33  -1.427   8.999  -5.290
  235    HG   SER  33           HG       SER  33  -2.145  10.515  -6.874
  236    H    ALA  34           H        ALA  34  -0.724   6.431  -5.263
  237    HA   ALA  34           HA       ALA  34  -0.079   5.581  -8.054
  238   1HB   ALA  34          1HB       ALA  34   1.518   7.067  -6.799
  239   2HB   ALA  34          2HB       ALA  34   1.716   5.776  -5.597
  240   3HB   ALA  34          3HB       ALA  34   2.228   5.510  -7.275
  241    H    CYS  35           H        CYS  35  -1.996   4.107  -6.385
  242    HA   CYS  35           HA       CYS  35  -0.558   1.531  -6.017
  243   1HB   CYS  35          1HB       CYS  35  -1.906   2.438  -4.072
  244   2HB   CYS  35          2HB       CYS  35  -3.350   2.214  -5.070
  245    H    LYS  36           H        LYS  36  -0.894  -0.022  -7.552
  246    HA   LYS  36           HA       LYS  36  -2.851   0.514  -9.717
  247   1HB   LYS  36          1HB       LYS  36  -0.294  -1.116  -9.586
  248   2HB   LYS  36          2HB       LYS  36  -1.337  -0.928 -10.999
  249   1HG   LYS  36          1HG       LYS  36  -0.996   1.589 -10.814
  250   2HG   LYS  36          2HG       LYS  36   0.245   1.276  -9.591
  251   1HD   LYS  36          1HD       LYS  36   0.247   0.288 -12.478
  252   2HD   LYS  36          2HD       LYS  36   1.204   1.632 -11.832
  253   1HE   LYS  36          1HE       LYS  36   2.413   0.075 -10.327
  254   2HE   LYS  36          2HE       LYS  36   1.474  -1.290 -10.971
  255   1HZ   LYS  36          1HZ       LYS  36   2.383  -0.837 -13.119
  256   2HZ   LYS  36          2HZ       LYS  36   3.277   0.415 -12.525
  257   3HZ   LYS  36          3HZ       LYS  36   3.576  -1.126 -12.020
  258    H    SER  37           H        SER  37  -1.495  -2.096  -7.724
  259    HA   SER  37           HA       SER  37  -3.934  -3.770  -8.213
  260   1HB   SER  37          1HB       SER  37  -1.734  -4.846  -8.683
  261   2HB   SER  37          2HB       SER  37  -1.253  -4.568  -7.008
  262    HG   SER  37           HG       SER  37  -3.473  -6.091  -7.924
  263    H    CYS  38           H        CYS  38  -5.324  -3.973  -6.555
  264    HA   CYS  38           HA       CYS  38  -4.609  -3.406  -3.762
  265   1HB   CYS  38          1HB       CYS  38  -5.019  -1.192  -4.771
  266   2HB   CYS  38          2HB       CYS  38  -6.563  -1.745  -5.409
  267    H    LEU  39           H        LEU  39  -6.142  -4.287  -2.331
  268    HA   LEU  39           HA       LEU  39  -8.593  -5.478  -3.415
  269   1HB   LEU  39          1HB       LEU  39  -6.835  -7.164  -3.863
  270   2HB   LEU  39          2HB       LEU  39  -6.464  -7.257  -2.143
  271    HG   LEU  39           HG       LEU  39  -9.327  -7.709  -2.887
  272   1HD1  LEU  39          1HD1      LEU  39  -8.221  -8.920  -4.694
  273   2HD1  LEU  39          2HD1      LEU  39  -7.133  -9.716  -3.535
  274   3HD1  LEU  39          3HD1      LEU  39  -8.875 -10.064  -3.509
  275   1HD2  LEU  39          1HD2      LEU  39  -9.182  -9.378  -1.124
  276   2HD2  LEU  39          2HD2      LEU  39  -7.411  -9.288  -1.102
  277   3HD2  LEU  39          3HD2      LEU  39  -8.373  -7.926  -0.512
  278    H    CYS  40           H        CYS  40 -10.092  -6.016  -1.819
  279    HA   CYS  40           HA       CYS  40  -9.468  -5.168   0.952
  280   1HB   CYS  40          1HB       CYS  40 -12.092  -4.626  -0.465
  281   2HB   CYS  40          2HB       CYS  40 -11.576  -4.006   1.095
  282    H    THR  41           H        THR  41 -10.940  -5.998   2.544
  283    HA   THR  41           HA       THR  41 -11.399  -8.835   2.041
  284    HB   THR  41           HB       THR  41 -11.926  -8.907   4.441
  285    HG1  THR  41           HG1      THR  41 -11.652  -7.003   5.652
  286   1HG2  THR  41          1HG2      THR  41  -9.712  -8.357   5.283
  287   2HG2  THR  41          2HG2      THR  41  -9.589  -9.107   3.679
  288   3HG2  THR  41          3HG2      THR  41  -9.378  -7.349   3.857
  289    H    ARG  42           H        ARG  42 -13.319  -9.901   2.511
  290    HA   ARG  42           HA       ARG  42 -15.860  -8.442   2.009
  291   1HB   ARG  42          1HB       ARG  42 -16.722 -10.818   1.754
  292   2HB   ARG  42          2HB       ARG  42 -15.615 -10.234   0.508
  293   1HG   ARG  42          1HG       ARG  42 -13.790 -11.491   1.375
  294   2HG   ARG  42          2HG       ARG  42 -14.681 -11.896   2.864
  295   1HD   ARG  42          1HD       ARG  42 -16.206 -13.328   1.593
  296   2HD   ARG  42          2HD       ARG  42 -15.556 -12.722   0.065
  297    HE   ARG  42           HE       ARG  42 -13.842 -14.187   0.155
  298   1HH1  ARG  42          1HH1      ARG  42 -15.149 -13.938   3.450
  299   2HH1  ARG  42          2HH1      ARG  42 -14.107 -15.182   4.088
  300   1HH2  ARG  42          1HH2      ARG  42 -12.495 -15.815   1.002
  301   2HH2  ARG  42          2HH2      ARG  42 -12.591 -16.258   2.684
  302    H    SER  43           H        SER  43 -14.217  -8.368   4.585
  303    HA   SER  43           HA       SER  43 -15.825  -9.806   6.508
  304   1HB   SER  43          1HB       SER  43 -13.570  -7.796   6.821
  305   2HB   SER  43          2HB       SER  43 -14.209  -8.847   8.082
  306    HG   SER  43           HG       SER  43 -13.553 -10.644   6.858
  307    H    PHE  44           H        PHE  44 -16.329  -8.367   8.537
  308    HA   PHE  44           HA       PHE  44 -17.726  -5.872   7.812
  309   1HB   PHE  44          1HB       PHE  44 -19.288  -6.718   9.595
  310   2HB   PHE  44          2HB       PHE  44 -19.381  -7.425   7.983
  311    HD1  PHE  44           HD1      PHE  44 -18.589  -9.748   7.556
  312    HD2  PHE  44           HD2      PHE  44 -18.806  -8.099  11.539
  313    HE1  PHE  44           HE1      PHE  44 -18.475 -12.030   8.514
  314    HE2  PHE  44           HE2      PHE  44 -18.664 -10.382  12.486
  315    HZ   PHE  44           HZ       PHE  44 -18.508 -12.353  10.979
  316    HA   PRO  45           HA       PRO  45 -17.223  -3.823   8.166
  317   1HB   PRO  45          1HB       PRO  45 -15.262  -1.960   8.396
  318   2HB   PRO  45          2HB       PRO  45 -16.647  -2.066   9.522
  319   1HG   PRO  45          1HG       PRO  45 -13.876  -3.242   9.911
  320   2HG   PRO  45          2HG       PRO  45 -14.785  -2.191  11.038
  321   1HD   PRO  45          1HD       PRO  45 -14.819  -4.901  11.288
  322   2HD   PRO  45          2HD       PRO  45 -16.302  -3.949  11.572
  323    HA   PRO  46           HA       PRO  46 -14.224  -5.369   5.126
  324   1HB   PRO  46          1HB       PRO  46 -14.737  -3.779   2.988
  325   2HB   PRO  46          2HB       PRO  46 -15.931  -4.962   3.596
  326   1HG   PRO  46          1HG       PRO  46 -15.817  -1.993   4.205
  327   2HG   PRO  46          2HG       PRO  46 -17.228  -2.944   3.663
  328   1HD   PRO  46          1HD       PRO  46 -16.772  -2.383   6.301
  329   2HD   PRO  46          2HD       PRO  46 -17.485  -3.941   5.785
  330    H    GLN  47           H        GLN  47 -12.049  -4.976   4.991
  331    HA   GLN  47           HA       GLN  47 -11.002  -2.212   5.399
  332   1HB   GLN  47          1HB       GLN  47 -10.022  -4.946   6.343
  333   2HB   GLN  47          2HB       GLN  47  -9.127  -3.440   6.493
  334   1HG   GLN  47          1HG       GLN  47 -11.820  -4.063   7.785
  335   2HG   GLN  47          2HG       GLN  47 -10.258  -4.025   8.604
  336   1HE2  GLN  47          1HE2      GLN  47  -9.005  -1.769   7.924
  337   2HE2  GLN  47          2HE2      GLN  47  -9.979  -0.357   8.276
  338    H    CYS  48           H        CYS  48  -9.430  -1.533   3.991
  339    HA   CYS  48           HA       CYS  48  -8.912  -3.274   1.641
  340   1HB   CYS  48          1HB       CYS  48  -9.163  -0.326   2.072
  341   2HB   CYS  48          2HB       CYS  48  -8.482  -0.992   0.590
  342    H    ARG  49           H        ARG  49  -6.910  -3.148   0.575
  343    HA   ARG  49           HA       ARG  49  -4.601  -1.955   1.937
  344   1HB   ARG  49          1HB       ARG  49  -4.855  -4.003   3.122
  345   2HB   ARG  49          2HB       ARG  49  -5.001  -4.940   1.630
  346   1HG   ARG  49          1HG       ARG  49  -2.471  -3.377   2.197
  347   2HG   ARG  49          2HG       ARG  49  -2.777  -4.873   3.082
  348   1HD   ARG  49          1HD       ARG  49  -2.491  -4.603   0.075
  349   2HD   ARG  49          2HD       ARG  49  -1.362  -5.319   1.202
  350    HE   ARG  49           HE       ARG  49  -2.803  -7.153   1.597
  351   1HH1  ARG  49          1HH1      ARG  49  -4.067  -5.052  -1.002
  352   2HH1  ARG  49          2HH1      ARG  49  -4.801  -6.375  -1.854
  353   1HH2  ARG  49          1HH2      ARG  49  -3.962  -8.811   0.561
  354   2HH2  ARG  49          2HH2      ARG  49  -4.860  -8.486  -0.899
  355    H    CYS  50           H        CYS  50  -2.893  -1.737   0.657
  356    HA   CYS  50           HA       CYS  50  -3.440  -1.767  -2.269
  357   1HB   CYS  50          1HB       CYS  50  -2.781   0.391  -1.341
  358   2HB   CYS  50          2HB       CYS  50  -1.360  -0.327  -0.572
  359    H    TYR  51           H        TYR  51  -2.518  -3.312  -3.526
  360    HA   TYR  51           HA       TYR  51  -0.397  -5.025  -2.357
  361   1HB   TYR  51          1HB       TYR  51  -2.903  -5.657  -3.289
  362   2HB   TYR  51          2HB       TYR  51  -1.995  -5.873  -4.751
  363    HD1  TYR  51           HD1      TYR  51  -3.568  -7.972  -3.262
  364    HD2  TYR  51           HD2      TYR  51   0.625  -6.935  -3.130
  365    HE1  TYR  51           HE1      TYR  51  -3.024 -10.230  -2.411
  366    HE2  TYR  51           HE2      TYR  51   1.154  -9.189  -2.310
  367    HH   TYR  51           HH       TYR  51  -1.366 -11.659  -1.691
  368    H    ASP  52           H        ASP  52  -0.134  -2.392  -3.965
  369    HA   ASP  52           HA       ASP  52   0.650  -2.937  -6.598
  370   1HB   ASP  52          1HB       ASP  52   0.072  -0.721  -5.687
  371   2HB   ASP  52          2HB       ASP  52   1.551  -0.718  -4.710
  372    HD2  ASP  52           HD2      ASP  52   3.056   1.006  -7.304
  373    H    ILE  53           H        ILE  53   2.712  -3.044  -7.587
  374    HA   ILE  53           HA       ILE  53   4.880  -4.192  -5.884
  375    HB   ILE  53           HB       ILE  53   4.560  -4.439  -8.890
  376   1HG1  ILE  53          1HG1      ILE  53   2.634  -5.559  -7.989
  377   2HG1  ILE  53          2HG1      ILE  53   3.810  -6.751  -8.530
  378   1HG2  ILE  53          1HG2      ILE  53   6.322  -5.865  -6.847
  379   2HG2  ILE  53          2HG2      ILE  53   6.194  -6.311  -8.559
  380   3HG2  ILE  53          3HG2      ILE  53   6.851  -4.739  -8.099
  381   1HD1  ILE  53          1HD1      ILE  53   2.808  -7.433  -6.414
  382   2HD1  ILE  53          2HD1      ILE  53   4.535  -7.105  -6.169
  383   3HD1  ILE  53          3HD1      ILE  53   3.311  -5.928  -5.636
  384    H    THR  54           H        THR  54   6.625  -3.002  -5.637
  385    HA   THR  54           HA       THR  54   7.319  -0.844  -7.538
  386    HB   THR  54           HB       THR  54   7.742   0.674  -5.645
  387    HG1  THR  54           HG1      THR  54   6.693  -1.451  -4.094
  388   1HG2  THR  54          1HG2      THR  54   4.902  -0.415  -5.430
  389   2HG2  THR  54          2HG2      THR  54   5.462   1.205  -4.990
  390   3HG2  THR  54          3HG2      THR  54   5.465   0.704  -6.694
  391    H    ASP  55           H        ASP  55   9.540   0.098  -6.342
  392    HA   ASP  55           HA       ASP  55  11.293  -2.196  -5.595
  393   1HB   ASP  55          1HB       ASP  55  11.781   0.170  -7.458
  394   2HB   ASP  55          2HB       ASP  55  13.014  -0.940  -6.868
  395    HD2  ASP  55           HD2      ASP  55  11.862  -3.663  -8.861
  396    H    PHE  56           H        PHE  56   9.743   0.340  -4.368
  397    HA   PHE  56           HA       PHE  56  11.879   1.295  -2.557
  398   1HB   PHE  56          1HB       PHE  56  11.042   3.653  -3.156
  399   2HB   PHE  56          2HB       PHE  56  12.025   2.834  -4.338
  400    HD1  PHE  56           HD1      PHE  56  11.220   2.506  -6.574
  401    HD2  PHE  56           HD2      PHE  56   8.453   3.602  -3.446
  402    HE1  PHE  56           HE1      PHE  56   9.415   2.767  -8.252
  403    HE2  PHE  56           HE2      PHE  56   6.652   3.802  -5.126
  404    HZ   PHE  56           HZ       PHE  56   7.126   3.422  -7.531
  405    H    CYS  57           H        CYS  57  10.656   3.136  -1.209
  406    HA   CYS  57           HA       CYS  57   7.932   2.232  -0.414
  407   1HB   CYS  57          1HB       CYS  57   9.449   1.213   1.156
  408   2HB   CYS  57          2HB       CYS  57  10.274   2.757   1.438
  409    H    TYR  58           H        TYR  58   6.624   3.851   0.250
  410    HA   TYR  58           HA       TYR  58   7.376   6.642  -0.375
  411   1HB   TYR  58          1HB       TYR  58   4.754   5.210   0.261
  412   2HB   TYR  58          2HB       TYR  58   4.893   6.935   0.042
  413    HD1  TYR  58           HD1      TYR  58   4.335   3.848  -1.683
  414    HD2  TYR  58           HD2      TYR  58   5.882   7.845  -2.162
  415    HE1  TYR  58           HE1      TYR  58   4.002   3.692  -4.137
  416    HE2  TYR  58           HE2      TYR  58   5.547   7.683  -4.608
  417    HH   TYR  58           HH       TYR  58   4.859   6.367  -6.358
  418    HA   PRO  59           HA       PRO  59   7.633   7.679   3.992
  419   1HB   PRO  59          1HB       PRO  59   6.243  10.067   4.188
  420   2HB   PRO  59          2HB       PRO  59   7.891   9.916   3.516
  421   1HG   PRO  59          1HG       PRO  59   5.268   9.971   2.003
  422   2HG   PRO  59          2HG       PRO  59   6.750  10.916   1.665
  423   1HD   PRO  59          1HD       PRO  59   6.216   8.671   0.289
  424   2HD   PRO  59          2HD       PRO  59   7.883   8.978   0.842
  425    H    SER  60           H        SER  60   6.280   7.963   5.947
  426    HA   SER  60           HA       SER  60   4.298   6.069   6.137
  427   1HB   SER  60          1HB       SER  60   3.822   7.570   8.313
  428   2HB   SER  60          2HB       SER  60   5.199   6.482   8.136
  429    HG   SER  60           HG       SER  60   5.788   8.607   8.846
  430    H    CYS  61           H        CYS  61   2.177   6.037   6.177
  431    HA   CYS  61           HA       CYS  61   0.692   8.373   5.101
  432   1HB   CYS  61          1HB       CYS  61   0.679   5.745   4.303
  433   2HB   CYS  61          2HB       CYS  61  -0.713   5.757   5.348
  434    H    SER  62           H        SER  62  -1.695   8.268   5.826
  435    HA   SER  62           HA       SER  62  -1.881   8.077   8.802
  436   1HB   SER  62          1HB       SER  62  -1.374  10.403   8.119
  437   2HB   SER  62          2HB       SER  62  -2.780  10.393   7.034
  438    HG   SER  62           HG       SER  62  -3.198  11.324   9.098
  Start of MODEL    5
    1   1H    THR   1          1H        THR   1  -8.047  20.669   5.899
    2   2H    THR   1          2H        THR   1  -7.384  20.857   4.399
    3   3H    THR   1          3H        THR   1  -6.523  20.111   5.589
    4    HA   THR   1           HA       THR   1  -7.359  22.913   5.584
    5    HB   THR   1           HB       THR   1  -5.818  23.125   7.517
    6    HG1  THR   1           HG1      THR   1  -6.031  20.325   7.823
    7   1HG2  THR   1          1HG2      THR   1  -8.266  22.969   7.859
    8   2HG2  THR   1          2HG2      THR   1  -8.140  21.199   7.986
    9   3HG2  THR   1          3HG2      THR   1  -7.357  22.235   9.193
   10    H    LYS   2           H        LYS   2  -4.278  21.200   6.085
   11    HA   LYS   2           HA       LYS   2  -2.841  22.872   4.158
   12   1HB   LYS   2          1HB       LYS   2  -2.105  20.466   5.873
   13   2HB   LYS   2          2HB       LYS   2  -0.937  21.313   4.875
   14   1HG   LYS   2          1HG       LYS   2  -2.532  22.570   7.151
   15   2HG   LYS   2          2HG       LYS   2  -0.878  21.992   7.260
   16   1HD   LYS   2          1HD       LYS   2  -1.901  24.346   5.611
   17   2HD   LYS   2          2HD       LYS   2  -0.862  24.388   7.028
   18   1HE   LYS   2          1HE       LYS   2  -0.128  23.357   4.253
   19   2HE   LYS   2          2HE       LYS   2   0.491  24.789   5.078
   20   1HZ   LYS   2          1HZ       LYS   2   1.467  23.342   6.725
   21   2HZ   LYS   2          2HZ       LYS   2   0.934  22.011   5.911
   22   3HZ   LYS   2          3HZ       LYS   2   2.040  23.013   5.215
   23    H    SER   3           H        SER   3  -1.157  21.174   2.876
   24    HA   SER   3           HA       SER   3  -2.524  20.468   0.593
   25   1HB   SER   3          1HB       SER   3   0.105  19.281   1.572
   26   2HB   SER   3          2HB       SER   3  -0.440  19.438  -0.112
   27    HG   SER   3           HG       SER   3   0.947  21.137   0.449
   28    H    THR   4           H        THR   4  -2.854  18.430  -0.463
   29    HA   THR   4           HA       THR   4  -4.429  16.684   1.104
   30    HB   THR   4           HB       THR   4  -4.785  17.261  -1.293
   31    HG1  THR   4           HG1      THR   4  -5.801  15.469  -0.408
   32   1HG2  THR   4          1HG2      THR   4  -2.566  15.240  -1.872
   33   2HG2  THR   4          2HG2      THR   4  -3.587  16.077  -3.050
   34   3HG2  THR   4          3HG2      THR   4  -2.415  16.997  -2.091
   35    H    THR   5           H        THR   5  -4.254  14.305   1.091
   36    HA   THR   5           HA       THR   5  -1.641  13.367   2.037
   37    HB   THR   5           HB       THR   5  -3.432  12.654   3.349
   38    HG1  THR   5           HG1      THR   5  -2.658  10.539   1.636
   39   1HG2  THR   5          1HG2      THR   5  -5.386  12.895   1.885
   40   2HG2  THR   5          2HG2      THR   5  -4.856  11.511   0.906
   41   3HG2  THR   5          3HG2      THR   5  -5.312  11.282   2.601
   42    H    THR   6           H        THR   6  -0.461  13.684   0.133
   43    HA   THR   6           HA       THR   6  -0.894  12.408  -2.381
   44    HB   THR   6           HB       THR   6   1.541  12.745  -2.634
   45    HG1  THR   6           HG1      THR   6   2.127  12.339  -0.456
   46   1HG2  THR   6          1HG2      THR   6   1.567  15.170  -2.474
   47   2HG2  THR   6          2HG2      THR   6  -0.018  14.629  -3.061
   48   3HG2  THR   6          3HG2      THR   6   0.177  15.164  -1.377
   49    H    ALA   7           H        ALA   7   0.734  10.718  -3.173
   50    HA   ALA   7           HA       ALA   7   0.158   8.201  -2.176
   51   1HB   ALA   7          1HB       ALA   7   2.607   9.109  -3.720
   52   2HB   ALA   7          2HB       ALA   7   2.110   7.421  -3.492
   53   3HB   ALA   7          3HB       ALA   7   1.064   8.538  -4.390
   54    H    CYS   8           H        CYS   8   0.437   7.480  -0.199
   55    HA   CYS   8           HA       CYS   8   3.097   7.724   1.155
   56   1HB   CYS   8          1HB       CYS   8   2.029   8.045   3.242
   57   2HB   CYS   8          2HB       CYS   8   1.424   9.283   2.201
   58    H    CYS   9           H        CYS   9   2.830   6.221   3.169
   59    HA   CYS   9           HA       CYS   9   1.258   3.873   3.097
   60   1HB   CYS   9          1HB       CYS   9   2.745   3.284   1.185
   61   2HB   CYS   9          2HB       CYS   9   4.158   3.509   2.210
   62    H    ASP  10           H        ASP  10   1.814   2.510   5.030
   63    HA   ASP  10           HA       ASP  10   3.339   4.055   7.078
   64   1HB   ASP  10          1HB       ASP  10   1.122   1.975   7.216
   65   2HB   ASP  10          2HB       ASP  10   1.992   2.607   8.612
   66    HD2  ASP  10           HD2      ASP  10   0.370   5.720   8.563
   67    H    PHE  11           H        PHE  11   2.568   0.628   6.220
   68    HA   PHE  11           HA       PHE  11   5.305  -0.189   7.078
   69   1HB   PHE  11          1HB       PHE  11   2.768  -1.817   6.956
   70   2HB   PHE  11          2HB       PHE  11   4.301  -2.278   7.688
   71    HD1  PHE  11           HD1      PHE  11   1.209  -1.880   8.737
   72    HD2  PHE  11           HD2      PHE  11   4.989   0.124   9.330
   73    HE1  PHE  11           HE1      PHE  11   0.363  -0.888  10.839
   74    HE2  PHE  11           HE2      PHE  11   4.132   1.111  11.422
   75    HZ   PHE  11           HZ       PHE  11   1.811   0.631  12.174
   76    H    CYS  12           H        CYS  12   6.565  -0.587   5.406
   77    HA   CYS  12           HA       CYS  12   5.474  -1.758   2.912
   78   1HB   CYS  12          1HB       CYS  12   6.998  -0.301   1.685
   79   2HB   CYS  12          2HB       CYS  12   5.657   0.508   2.475
   80    HA   PRO  13           HA       PRO  13   9.135  -4.291   4.115
   81   1HB   PRO  13          1HB       PRO  13   8.029  -6.761   3.743
   82   2HB   PRO  13          2HB       PRO  13   7.831  -5.828   5.254
   83   1HG   PRO  13          1HG       PRO  13   5.909  -5.974   2.915
   84   2HG   PRO  13          2HG       PRO  13   5.543  -6.221   4.651
   85   1HD   PRO  13          1HD       PRO  13   5.121  -3.843   3.432
   86   2HD   PRO  13          2HD       PRO  13   5.757  -3.895   5.103
   87    H    CYS  14           H        CYS  14  10.348  -5.711   2.687
   88    HA   CYS  14           HA       CYS  14   9.562  -5.685  -0.157
   89   1HB   CYS  14          1HB       CYS  14  12.326  -5.015   0.910
   90   2HB   CYS  14          2HB       CYS  14  11.817  -5.004  -0.772
   91    H    THR  15           H        THR  15  10.697  -7.238  -1.412
   92    HA   THR  15           HA       THR  15  10.927  -9.795  -0.010
   93    HB   THR  15           HB       THR  15  10.987 -10.678  -2.331
   94    HG1  THR  15           HG1      THR  15  10.822  -7.934  -3.017
   95   1HG2  THR  15          1HG2      THR  15   8.777 -10.232  -1.271
   96   2HG2  THR  15          2HG2      THR  15   8.778  -8.600  -1.979
   97   3HG2  THR  15          3HG2      THR  15   8.747 -10.026  -3.032
   98    H    ARG  16           H        ARG  16  12.664 -11.292  -0.667
   99    HA   ARG  16           HA       ARG  16  15.338  -9.968  -0.788
  100   1HB   ARG  16          1HB       ARG  16  16.153 -11.967   0.337
  101   2HB   ARG  16          2HB       ARG  16  14.949 -11.083   1.289
  102   1HG   ARG  16          1HG       ARG  16  13.220 -12.725   0.696
  103   2HG   ARG  16          2HG       ARG  16  14.365 -13.596  -0.344
  104   1HD   ARG  16          1HD       ARG  16  15.763 -14.153   1.560
  105   2HD   ARG  16          2HD       ARG  16  14.803 -13.147   2.646
  106    HE   ARG  16           HE       ARG  16  14.226 -15.841   1.709
  107   1HH1  ARG  16          1HH1      ARG  16  12.712 -12.878   2.960
  108   2HH1  ARG  16          2HH1      ARG  16  11.337 -13.715   3.629
  109   1HH2  ARG  16          1HH2      ARG  16  12.410 -16.921   2.590
  110   2HH2  ARG  16          2HH2      ARG  16  11.161 -16.020   3.409
  111    H    SER  17           H        SER  17  13.256 -11.322  -2.871
  112    HA   SER  17           HA       SER  17  14.931 -13.199  -4.303
  113   1HB   SER  17          1HB       SER  17  13.056 -12.727  -6.049
  114   2HB   SER  17          2HB       SER  17  12.634 -13.531  -4.542
  115    HG   SER  17           HG       SER  17  11.234 -11.771  -5.129
  116    H    ILE  18           H        ILE  18  15.129 -12.678  -6.733
  117    HA   ILE  18           HA       ILE  18  16.473 -10.052  -7.067
  118    HB   ILE  18           HB       ILE  18  18.041 -11.835  -6.628
  119   1HG1  ILE  18          1HG1      ILE  18  19.444 -11.601  -8.746
  120   2HG1  ILE  18          2HG1      ILE  18  18.117 -10.657  -9.437
  121   1HG2  ILE  18          1HG2      ILE  18  17.265 -13.186  -9.229
  122   2HG2  ILE  18          2HG2      ILE  18  18.467 -13.686  -8.040
  123   3HG2  ILE  18          3HG2      ILE  18  16.752 -13.753  -7.623
  124   1HD1  ILE  18          1HD1      ILE  18  19.918  -9.259  -8.440
  125   2HD1  ILE  18          2HD1      ILE  18  18.387  -8.989  -7.598
  126   3HD1  ILE  18          3HD1      ILE  18  19.638 -10.010  -6.859
  127    HA   PRO  19           HA       PRO  19  16.262  -8.261  -8.242
  128   1HB   PRO  19          1HB       PRO  19  14.461  -6.453  -9.107
  129   2HB   PRO  19          2HB       PRO  19  15.722  -7.134 -10.176
  130   1HG   PRO  19          1HG       PRO  19  12.840  -8.051  -9.916
  131   2HG   PRO  19          2HG       PRO  19  13.725  -7.644 -11.416
  132   1HD   PRO  19          1HD       PRO  19  13.499 -10.216 -10.537
  133   2HD   PRO  19          2HD       PRO  19  15.010  -9.640 -11.296
  134    HA   PRO  20           HA       PRO  20  13.281  -8.355  -4.815
  135   1HB   PRO  20          1HB       PRO  20  14.147  -6.311  -3.265
  136   2HB   PRO  20          2HB       PRO  20  15.126  -7.783  -3.520
  137   1HG   PRO  20          1HG       PRO  20  15.374  -5.132  -4.972
  138   2HG   PRO  20          2HG       PRO  20  16.677  -6.089  -4.214
  139   1HD   PRO  20          1HD       PRO  20  16.095  -6.232  -6.898
  140   2HD   PRO  20          2HD       PRO  20  16.673  -7.652  -5.973
  141    H    GLN  21           H        GLN  21  11.240  -7.530  -4.613
  142    HA   GLN  21           HA       GLN  21  10.558  -4.838  -5.676
  143   1HB   GLN  21          1HB       GLN  21   8.215  -5.863  -5.331
  144   2HB   GLN  21          2HB       GLN  21   9.117  -6.141  -6.837
  145   1HG   GLN  21          1HG       GLN  21   9.030  -8.138  -4.554
  146   2HG   GLN  21          2HG       GLN  21   7.794  -8.065  -5.807
  147   1HE2  GLN  21          1HE2      GLN  21  10.833  -9.408  -5.052
  148   2HE2  GLN  21          2HE2      GLN  21  11.318  -9.857  -6.677
  149    H    CYS  22           H        CYS  22   9.314  -3.511  -4.400
  150    HA   CYS  22           HA       CYS  22   8.950  -4.192  -1.520
  151   1HB   CYS  22          1HB       CYS  22   9.366  -1.529  -2.863
  152   2HB   CYS  22          2HB       CYS  22   8.920  -1.731  -1.172
  153    H    GLN  23           H        GLN  23   6.985  -3.714  -0.616
  154    HA   GLN  23           HA       GLN  23   4.775  -2.614  -2.189
  155   1HB   GLN  23          1HB       GLN  23   3.469  -4.696  -1.775
  156   2HB   GLN  23          2HB       GLN  23   4.746  -4.889  -2.989
  157   1HG   GLN  23          1HG       GLN  23   6.190  -5.987  -1.298
  158   2HG   GLN  23          2HG       GLN  23   4.928  -5.779  -0.070
  159   1HE2  GLN  23          1HE2      GLN  23   6.050  -8.281  -0.735
  160   2HE2  GLN  23          2HE2      GLN  23   4.809  -9.263  -1.486
  161    H    CYS  24           H        CYS  24   2.734  -2.706  -0.741
  162    HA   CYS  24           HA       CYS  24   3.559  -2.086   2.059
  163   1HB   CYS  24          1HB       CYS  24   1.243  -1.095   0.441
  164   2HB   CYS  24          2HB       CYS  24   1.460  -0.796   2.158
  165    H    THR  25           H        THR  25   2.578  -2.909   3.739
  166    HA   THR  25           HA       THR  25   0.757  -5.236   3.328
  167    HB   THR  25           HB       THR  25   2.962  -5.789   4.196
  168    HG1  THR  25           HG1      THR  25   2.148  -6.895   6.030
  169   1HG2  THR  25          1HG2      THR  25   3.636  -5.097   6.427
  170   2HG2  THR  25          2HG2      THR  25   3.406  -3.664   5.420
  171   3HG2  THR  25          3HG2      THR  25   2.168  -4.111   6.610
  172    H    ASP  26           H        ASP  26   1.149  -2.081   4.895
  173    HA   ASP  26           HA       ASP  26  -0.688  -2.385   6.976
  174   1HB   ASP  26          1HB       ASP  26   0.768  -0.450   6.825
  175   2HB   ASP  26          2HB       ASP  26  -0.078   0.103   5.361
  176    HD2  ASP  26           HD2      ASP  26  -2.053   0.328   8.920
  177    H    VAL  27           H        VAL  27  -2.741  -1.910   7.237
  178    HA   VAL  27           HA       VAL  27  -4.527  -2.215   4.859
  179    HB   VAL  27           HB       VAL  27  -5.072  -3.206   7.680
  180   1HG1  VAL  27          1HG1      VAL  27  -6.232  -4.025   4.980
  181   2HG1  VAL  27          2HG1      VAL  27  -6.762  -4.582   6.579
  182   3HG1  VAL  27          3HG1      VAL  27  -7.000  -2.893   6.103
  183   1HG2  VAL  27          1HG2      VAL  27  -3.838  -4.740   5.353
  184   2HG2  VAL  27          2HG2      VAL  27  -3.095  -4.441   6.941
  185   3HG2  VAL  27          3HG2      VAL  27  -4.512  -5.485   6.814
  186    H    ARG  28           H        ARG  28  -6.199  -0.760   4.671
  187    HA   ARG  28           HA       ARG  28  -7.082   0.980   6.807
  188   1HB   ARG  28          1HB       ARG  28  -4.697   1.802   5.802
  189   2HB   ARG  28          2HB       ARG  28  -5.718   2.434   4.533
  190   1HG   ARG  28          1HG       ARG  28  -5.508   4.219   6.055
  191   2HG   ARG  28          2HG       ARG  28  -7.087   3.552   6.479
  192   1HD   ARG  28          1HD       ARG  28  -5.905   4.009   8.497
  193   2HD   ARG  28          2HD       ARG  28  -5.981   2.247   8.332
  194    HE   ARG  28           HE       ARG  28  -3.564   3.156   7.147
  195   1HH1  ARG  28          1HH1      ARG  28  -5.057   2.854  10.346
  196   2HH1  ARG  28          2HH1      ARG  28  -3.534   2.864  11.200
  197   1HH2  ARG  28          1HH2      ARG  28  -1.584   3.186   8.264
  198   2HH2  ARG  28          2HH2      ARG  28  -1.538   3.082  10.010
  199    H    GLU  29           H        GLU  29  -7.855   3.049   4.775
  200    HA   GLU  29           HA       GLU  29 -10.181   1.689   3.646
  201   1HB   GLU  29          1HB       GLU  29  -9.934   4.111   4.738
  202   2HB   GLU  29          2HB       GLU  29  -9.450   4.570   3.105
  203   1HG   GLU  29          1HG       GLU  29 -11.658   3.261   2.411
  204   2HG   GLU  29          2HG       GLU  29 -12.061   3.377   4.121
  205    HE2  GLU  29           HE2      GLU  29 -12.431   6.920   4.025
  206    H    LYS  30           H        LYS  30 -10.111   3.584   1.257
  207    HA   LYS  30           HA       LYS  30  -9.098   1.735  -0.610
  208   1HB   LYS  30          1HB       LYS  30  -9.601   4.689  -1.031
  209   2HB   LYS  30          2HB       LYS  30  -9.560   3.434  -2.266
  210   1HG   LYS  30          1HG       LYS  30 -11.512   2.305  -1.156
  211   2HG   LYS  30          2HG       LYS  30 -11.679   3.703  -0.085
  212   1HD   LYS  30          1HD       LYS  30 -11.839   3.774  -3.129
  213   2HD   LYS  30          2HD       LYS  30 -13.214   3.783  -2.013
  214   1HE   LYS  30          1HE       LYS  30 -12.355   5.923  -1.013
  215   2HE   LYS  30          2HE       LYS  30 -11.076   5.950  -2.245
  216   1HZ   LYS  30          1HZ       LYS  30 -12.760   6.025  -3.920
  217   2HZ   LYS  30          2HZ       LYS  30 -13.956   5.993  -2.786
  218   3HZ   LYS  30          3HZ       LYS  30 -12.932   7.280  -2.870
  219    H    CYS  31           H        CYS  31  -7.439   2.127  -2.233
  220    HA   CYS  31           HA       CYS  31  -4.955   2.555  -0.848
  221   1HB   CYS  31          1HB       CYS  31  -5.484   1.770  -3.729
  222   2HB   CYS  31          2HB       CYS  31  -3.984   1.621  -2.831
  223    H    HIS  32           H        HIS  32  -3.118   3.707  -1.931
  224    HA   HIS  32           HA       HIS  32  -3.938   6.457  -2.322
  225   1HB   HIS  32          1HB       HIS  32  -1.591   6.986  -2.216
  226   2HB   HIS  32          2HB       HIS  32  -2.207   6.138  -0.840
  227    HD1  HIS  32           HD1      HIS  32   0.346   5.853  -3.602
  228    HD2  HIS  32           HD2      HIS  32  -1.180   3.617  -0.384
  229    HE1  HIS  32           HE1      HIS  32   1.959   3.917  -3.208
  230    HE2  HIS  32           HE2      HIS  32   1.049   2.537  -1.242
  231    H    SER  33           H        SER  33  -2.598   7.764  -3.854
  232    HA   SER  33           HA       SER  33  -3.559   7.405  -6.433
  233   1HB   SER  33          1HB       SER  33  -2.886   9.551  -5.435
  234   2HB   SER  33          2HB       SER  33  -1.188   9.055  -5.570
  235    HG   SER  33           HG       SER  33  -1.914  10.360  -7.328
  236    H    ALA  34           H        ALA  34  -0.616   6.149  -5.067
  237    HA   ALA  34           HA       ALA  34   0.376   5.237  -7.742
  238   1HB   ALA  34          1HB       ALA  34   2.573   5.105  -6.728
  239   2HB   ALA  34          2HB       ALA  34   1.914   6.742  -6.542
  240   3HB   ALA  34          3HB       ALA  34   1.925   5.628  -5.159
  241    H    CYS  35           H        CYS  35  -1.767   3.920  -6.693
  242    HA   CYS  35           HA       CYS  35  -0.510   1.255  -6.438
  243   1HB   CYS  35          1HB       CYS  35  -3.031   2.172  -5.018
  244   2HB   CYS  35          2HB       CYS  35  -2.569   0.479  -5.213
  245    H    LYS  36           H        LYS  36  -1.133  -0.068  -8.050
  246    HA   LYS  36           HA       LYS  36  -3.111   0.888 -10.035
  247   1HB   LYS  36          1HB       LYS  36  -0.847  -1.158 -10.112
  248   2HB   LYS  36          2HB       LYS  36  -1.957  -0.796 -11.430
  249   1HG   LYS  36          1HG       LYS  36  -1.158   1.574 -11.453
  250   2HG   LYS  36          2HG       LYS  36  -0.059   1.205 -10.116
  251   1HD   LYS  36          1HD       LYS  36   1.190   1.215 -12.166
  252   2HD   LYS  36          2HD       LYS  36   1.143  -0.438 -11.531
  253   1HE   LYS  36          1HE       LYS  36  -0.577  -1.060 -13.178
  254   2HE   LYS  36          2HE       LYS  36  -0.712   0.625 -13.719
  255   1HZ   LYS  36          1HZ       LYS  36   0.620  -0.696 -15.175
  256   2HZ   LYS  36          2HZ       LYS  36   1.537   0.488 -14.488
  257   3HZ   LYS  36          3HZ       LYS  36   1.672  -1.070 -13.963
  258    H    SER  37           H        SER  37  -2.092  -1.913  -8.121
  259    HA   SER  37           HA       SER  37  -4.769  -3.194  -8.483
  260   1HB   SER  37          1HB       SER  37  -2.771  -4.563  -9.084
  261   2HB   SER  37          2HB       SER  37  -2.204  -4.432  -7.414
  262    HG   SER  37           HG       SER  37  -4.259  -5.387  -6.819
  263    H    CYS  38           H        CYS  38  -6.086  -3.180  -6.797
  264    HA   CYS  38           HA       CYS  38  -5.153  -2.645  -4.035
  265   1HB   CYS  38          1HB       CYS  38  -5.821  -0.498  -5.103
  266   2HB   CYS  38          2HB       CYS  38  -7.409  -1.187  -5.468
  267    H    LEU  39           H        LEU  39  -6.243  -3.908  -2.617
  268    HA   LEU  39           HA       LEU  39  -8.554  -5.538  -3.550
  269   1HB   LEU  39          1HB       LEU  39  -5.853  -6.419  -3.467
  270   2HB   LEU  39          2HB       LEU  39  -6.560  -7.061  -2.000
  271    HG   LEU  39           HG       LEU  39  -6.653  -8.670  -3.759
  272   1HD1  LEU  39          1HD1      LEU  39  -8.592  -8.564  -2.170
  273   2HD1  LEU  39          2HD1      LEU  39  -9.506  -7.670  -3.411
  274   3HD1  LEU  39          3HD1      LEU  39  -8.959  -9.322  -3.730
  275   1HD2  LEU  39          1HD2      LEU  39  -8.323  -6.752  -5.438
  276   2HD2  LEU  39          2HD2      LEU  39  -6.604  -7.116  -5.695
  277   3HD2  LEU  39          3HD2      LEU  39  -7.818  -8.397  -5.859
  278    H    CYS  40           H        CYS  40  -9.853  -6.350  -1.887
  279    HA   CYS  40           HA       CYS  40  -9.271  -5.438   0.869
  280   1HB   CYS  40          1HB       CYS  40 -11.984  -5.142  -0.446
  281   2HB   CYS  40          2HB       CYS  40 -11.462  -4.471   1.089
  282    H    THR  41           H        THR  41 -10.607  -6.447   2.482
  283    HA   THR  41           HA       THR  41 -11.135  -9.284   1.771
  284    HB   THR  41           HB       THR  41  -9.763  -8.909   3.738
  285    HG1  THR  41           HG1      THR  41 -11.331 -10.095   5.169
  286   1HG2  THR  41          1HG2      THR  41 -10.632  -6.797   4.610
  287   2HG2  THR  41          2HG2      THR  41 -12.218  -7.532   4.926
  288   3HG2  THR  41          3HG2      THR  41 -10.787  -8.062   5.830
  289    H    ARG  42           H        ARG  42 -13.098 -10.310   2.358
  290    HA   ARG  42           HA       ARG  42 -15.510  -8.638   2.074
  291   1HB   ARG  42          1HB       ARG  42 -15.112 -11.663   2.051
  292   2HB   ARG  42          2HB       ARG  42 -16.603 -10.778   1.670
  293   1HG   ARG  42          1HG       ARG  42 -15.341  -9.587  -0.152
  294   2HG   ARG  42          2HG       ARG  42 -13.981 -10.698   0.136
  295   1HD   ARG  42          1HD       ARG  42 -15.416 -12.631  -0.373
  296   2HD   ARG  42          2HD       ARG  42 -16.814 -11.554  -0.600
  297    HE   ARG  42           HE       ARG  42 -14.706 -10.705  -2.308
  298   1HH1  ARG  42          1HH1      ARG  42 -17.019 -13.375  -1.974
  299   2HH1  ARG  42          2HH1      ARG  42 -17.075 -13.714  -3.685
  300   1HH2  ARG  42          1HH2      ARG  42 -14.784 -11.155  -4.552
  301   2HH2  ARG  42          2HH2      ARG  42 -15.793 -12.442  -5.160
  302    H    SER  43           H        SER  43 -13.630  -9.360   4.637
  303    HA   SER  43           HA       SER  43 -15.412 -10.417   6.552
  304   1HB   SER  43          1HB       SER  43 -13.112  -8.474   6.994
  305   2HB   SER  43          2HB       SER  43 -13.777  -9.633   8.148
  306    HG   SER  43           HG       SER  43 -13.117 -11.304   6.697
  307    H    PHE  44           H        PHE  44 -15.856  -8.927   8.599
  308    HA   PHE  44           HA       PHE  44 -17.048  -6.330   7.745
  309   1HB   PHE  44          1HB       PHE  44 -18.770  -8.026   8.119
  310   2HB   PHE  44          2HB       PHE  44 -18.185  -8.269   9.763
  311    HD1  PHE  44           HD1      PHE  44 -18.705  -6.641  11.522
  312    HD2  PHE  44           HD2      PHE  44 -19.801  -5.865   7.423
  313    HE1  PHE  44           HE1      PHE  44 -20.107  -4.732  12.254
  314    HE2  PHE  44           HE2      PHE  44 -21.203  -3.958   8.163
  315    HZ   PHE  44           HZ       PHE  44 -21.354  -3.385  10.577
  316    HA   PRO  45           HA       PRO  45 -16.695  -4.227   8.209
  317   1HB   PRO  45          1HB       PRO  45 -14.686  -2.389   8.258
  318   2HB   PRO  45          2HB       PRO  45 -15.960  -2.490   9.509
  319   1HG   PRO  45          1HG       PRO  45 -13.184  -3.715   9.619
  320   2HG   PRO  45          2HG       PRO  45 -13.967  -2.668  10.844
  321   1HD   PRO  45          1HD       PRO  45 -14.018  -5.375  11.061
  322   2HD   PRO  45          2HD       PRO  45 -15.462  -4.410  11.486
  323    HA   PRO  46           HA       PRO  46 -14.026  -5.868   4.892
  324   1HB   PRO  46          1HB       PRO  46 -14.982  -4.503   2.746
  325   2HB   PRO  46          2HB       PRO  46 -15.934  -5.759   3.585
  326   1HG   PRO  46          1HG       PRO  46 -16.129  -2.756   3.939
  327   2HG   PRO  46          2HG       PRO  46 -17.454  -3.929   3.720
  328   1HD   PRO  46          1HD       PRO  46 -16.662  -3.010   6.189
  329   2HD   PRO  46          2HD       PRO  46 -17.299  -4.664   5.940
  330    H    GLN  47           H        GLN  47 -11.937  -5.213   5.238
  331    HA   GLN  47           HA       GLN  47 -11.253  -2.328   5.015
  332   1HB   GLN  47          1HB       GLN  47 -10.894  -3.980   7.137
  333   2HB   GLN  47          2HB       GLN  47  -9.408  -4.333   6.259
  334   1HG   GLN  47          1HG       GLN  47  -8.982  -2.539   7.832
  335   2HG   GLN  47          2HG       GLN  47  -8.928  -1.858   6.202
  336   1HE2  GLN  47          1HE2      GLN  47 -11.427  -2.519   8.745
  337   2HE2  GLN  47          2HE2      GLN  47 -12.195  -0.950   8.613
  338    H    CYS  48           H        CYS  48  -9.372  -1.691   3.852
  339    HA   CYS  48           HA       CYS  48  -8.843  -3.493   1.551
  340   1HB   CYS  48          1HB       CYS  48  -9.265  -0.533   1.859
  341   2HB   CYS  48          2HB       CYS  48  -8.634  -1.247   0.374
  342    H    ARG  49           H        ARG  49  -6.884  -3.145   0.350
  343    HA   ARG  49           HA       ARG  49  -4.542  -2.019   1.737
  344   1HB   ARG  49          1HB       ARG  49  -5.038  -4.339   2.648
  345   2HB   ARG  49          2HB       ARG  49  -4.695  -4.944   1.023
  346   1HG   ARG  49          1HG       ARG  49  -2.406  -3.464   1.528
  347   2HG   ARG  49          2HG       ARG  49  -2.924  -3.829   3.175
  348   1HD   ARG  49          1HD       ARG  49  -1.396  -5.497   2.479
  349   2HD   ARG  49          2HD       ARG  49  -2.987  -6.254   2.566
  350    HE   ARG  49           HE       ARG  49  -1.459  -5.400   0.116
  351   1HH1  ARG  49          1HH1      ARG  49  -4.230  -7.266   1.378
  352   2HH1  ARG  49          2HH1      ARG  49  -4.456  -8.128  -0.119
  353   1HH2  ARG  49          1HH2      ARG  49  -1.766  -6.566  -1.773
  354   2HH2  ARG  49          2HH2      ARG  49  -3.057  -7.730  -1.918
  355    H    CYS  50           H        CYS  50  -2.803  -1.853   0.375
  356    HA   CYS  50           HA       CYS  50  -3.332  -1.774  -2.535
  357   1HB   CYS  50          1HB       CYS  50  -2.284   0.131  -1.423
  358   2HB   CYS  50          2HB       CYS  50  -0.976  -0.897  -0.844
  359    H    TYR  51           H        TYR  51  -2.493  -3.095  -4.028
  360    HA   TYR  51           HA       TYR  51  -0.739  -5.332  -3.148
  361   1HB   TYR  51          1HB       TYR  51  -3.290  -5.706  -3.656
  362   2HB   TYR  51          2HB       TYR  51  -2.843  -5.465  -5.323
  363    HD1  TYR  51           HD1      TYR  51  -4.228  -7.753  -4.989
  364    HD2  TYR  51           HD2      TYR  51  -0.047  -7.231  -4.013
  365    HE1  TYR  51           HE1      TYR  51  -3.888 -10.205  -5.056
  366    HE2  TYR  51           HE2      TYR  51   0.277  -9.652  -4.114
  367    HH   TYR  51           HH       TYR  51  -0.695 -11.712  -4.456
  368    H    ASP  52           H        ASP  52  -0.301  -2.586  -4.544
  369    HA   ASP  52           HA       ASP  52   0.609  -3.266  -7.212
  370   1HB   ASP  52          1HB       ASP  52  -0.326  -1.064  -6.559
  371   2HB   ASP  52          2HB       ASP  52   1.063  -0.790  -5.496
  372    HD2  ASP  52           HD2      ASP  52   2.793   0.683  -8.082
  373    H    ILE  53           H        ILE  53   2.773  -3.286  -7.908
  374    HA   ILE  53           HA       ILE  53   4.810  -3.967  -5.832
  375    HB   ILE  53           HB       ILE  53   4.606  -4.778  -8.761
  376   1HG1  ILE  53          1HG1      ILE  53   2.909  -5.963  -7.494
  377   2HG1  ILE  53          2HG1      ILE  53   4.219  -7.052  -7.934
  378   1HG2  ILE  53          1HG2      ILE  53   6.938  -4.633  -8.149
  379   2HG2  ILE  53          2HG2      ILE  53   6.608  -5.405  -6.595
  380   3HG2  ILE  53          3HG2      ILE  53   6.506  -6.349  -8.094
  381   1HD1  ILE  53          1HD1      ILE  53   5.133  -6.851  -5.596
  382   2HD1  ILE  53          2HD1      ILE  53   3.726  -5.846  -5.175
  383   3HD1  ILE  53          3HD1      ILE  53   3.500  -7.525  -5.674
  384    H    THR  54           H        THR  54   6.603  -2.775  -5.702
  385    HA   THR  54           HA       THR  54   7.442  -0.993  -7.914
  386    HB   THR  54           HB       THR  54   7.834   0.840  -6.286
  387    HG1  THR  54           HG1      THR  54   6.511  -0.928  -4.514
  388   1HG2  THR  54          1HG2      THR  54   5.716   0.810  -7.600
  389   2HG2  THR  54          2HG2      THR  54   4.908  -0.003  -6.239
  390   3HG2  THR  54          3HG2      THR  54   5.565   1.628  -6.033
  391    H    ASP  55           H        ASP  55   9.654   0.078  -6.792
  392    HA   ASP  55           HA       ASP  55  11.246  -2.156  -5.589
  393   1HB   ASP  55          1HB       ASP  55  11.932   0.027  -7.595
  394   2HB   ASP  55          2HB       ASP  55  13.140  -0.875  -6.688
  395    HD2  ASP  55           HD2      ASP  55  12.868  -3.775  -8.581
  396    H    PHE  56           H        PHE  56   9.632   0.547  -4.725
  397    HA   PHE  56           HA       PHE  56  11.624   1.463  -2.722
  398   1HB   PHE  56          1HB       PHE  56  10.898   3.821  -3.392
  399   2HB   PHE  56          2HB       PHE  56  11.929   2.969  -4.507
  400    HD1  PHE  56           HD1      PHE  56  11.240   2.596  -6.776
  401    HD2  PHE  56           HD2      PHE  56   8.352   3.912  -3.852
  402    HE1  PHE  56           HE1      PHE  56   9.580   2.974  -8.578
  403    HE2  PHE  56           HE2      PHE  56   6.688   4.243  -5.655
  404    HZ   PHE  56           HZ       PHE  56   7.305   3.812  -8.021
  405    H    CYS  57           H        CYS  57  10.415   3.292  -1.451
  406    HA   CYS  57           HA       CYS  57   7.575   2.659  -0.941
  407   1HB   CYS  57          1HB       CYS  57   8.760   1.273   0.634
  408   2HB   CYS  57          2HB       CYS  57   9.765   2.634   1.158
  409    H    TYR  58           H        TYR  58   6.441   4.368  -0.179
  410    HA   TYR  58           HA       TYR  58   7.520   7.044  -0.628
  411   1HB   TYR  58          1HB       TYR  58   4.799   5.887   0.123
  412   2HB   TYR  58          2HB       TYR  58   5.095   7.605  -0.020
  413    HD1  TYR  58           HD1      TYR  58   5.744   8.640  -2.203
  414    HD2  TYR  58           HD2      TYR  58   4.533   4.514  -1.881
  415    HE1  TYR  58           HE1      TYR  58   5.542   8.511  -4.663
  416    HE2  TYR  58           HE2      TYR  58   4.326   4.388  -4.351
  417    HH   TYR  58           HH       TYR  58   5.136   7.158  -6.476
  418    HA   PRO  59           HA       PRO  59   8.377   7.970   3.621
  419   1HB   PRO  59          1HB       PRO  59   7.385  10.532   3.981
  420   2HB   PRO  59          2HB       PRO  59   8.878  10.144   3.078
  421   1HG   PRO  59          1HG       PRO  59   6.101  10.574   1.949
  422   2HG   PRO  59          2HG       PRO  59   7.635  11.316   1.399
  423   1HD   PRO  59          1HD       PRO  59   6.634   9.174   0.136
  424   2HD   PRO  59          2HD       PRO  59   8.385   9.242   0.467
  425    H    SER  60           H        SER  60   7.380   8.164   5.751
  426    HA   SER  60           HA       SER  60   5.261   6.447   5.885
  427   1HB   SER  60          1HB       SER  60   5.280   7.515   8.389
  428   2HB   SER  60          2HB       SER  60   6.348   6.249   7.776
  429    HG   SER  60           HG       SER  60   7.469   8.009   8.777
  430    H    CYS  61           H        CYS  61   3.139   6.544   6.249
  431    HA   CYS  61           HA       CYS  61   1.766   9.112   5.832
  432   1HB   CYS  61          1HB       CYS  61   1.198   6.656   4.895
  433   2HB   CYS  61          2HB       CYS  61   0.170   6.635   6.308
  434    H    SER  62           H        SER  62  -0.468   9.053   7.253
  435    HA   SER  62           HA       SER  62   0.164   9.231  10.098
  436   1HB   SER  62          1HB       SER  62  -2.310   9.651  10.237
  437   2HB   SER  62          2HB       SER  62  -1.456  10.771   9.160
  438    HG   SER  62           HG       SER  62  -2.721   8.405   8.257
  Start of MODEL    6
    1   1H    THR   1          1H        THR   1  -2.898  17.952  13.248
    2   2H    THR   1          2H        THR   1  -4.408  17.925  12.577
    3   3H    THR   1          3H        THR   1  -3.744  16.538  13.186
    4    HA   THR   1           HA       THR   1  -2.673  18.012  10.904
    5    HB   THR   1           HB       THR   1  -1.334  15.947  10.582
    6    HG1  THR   1           HG1      THR   1  -2.650  14.567  11.857
    7   1HG2  THR   1          1HG2      THR   1  -0.865  17.256  13.302
    8   2HG2  THR   1          2HG2      THR   1   0.328  16.419  12.294
    9   3HG2  THR   1          3HG2      THR   1  -0.376  17.949  11.737
   10    H    LYS   2           H        LYS   2  -3.908  17.826   9.111
   11    HA   LYS   2           HA       LYS   2  -5.210  15.246   8.492
   12   1HB   LYS   2          1HB       LYS   2  -6.615  17.959   8.420
   13   2HB   LYS   2          2HB       LYS   2  -7.202  16.478   7.643
   14   1HG   LYS   2          1HG       LYS   2  -7.214  15.343   9.868
   15   2HG   LYS   2          2HG       LYS   2  -6.804  16.891  10.635
   16   1HD   LYS   2          1HD       LYS   2  -8.827  17.932   9.817
   17   2HD   LYS   2          2HD       LYS   2  -9.254  16.512   8.851
   18   1HE   LYS   2          1HE       LYS   2  -8.976  16.458  11.890
   19   2HE   LYS   2          2HE       LYS   2 -10.506  16.745  11.043
   20   1HZ   LYS   2          1HZ       LYS   2 -10.246  14.459  11.640
   21   2HZ   LYS   2          2HZ       LYS   2 -10.296  14.626  10.003
   22   3HZ   LYS   2          3HZ       LYS   2  -8.862  14.331  10.757
   23    H    SER   3           H        SER   3  -5.275  14.809   6.312
   24    HA   SER   3           HA       SER   3  -4.531  16.719   4.263
   25   1HB   SER   3          1HB       SER   3  -2.593  14.523   5.140
   26   2HB   SER   3          2HB       SER   3  -2.520  15.304   3.551
   27    HG   SER   3           HG       SER   3  -2.472  16.793   5.949
   28    H    THR   4           H        THR   4  -4.569  15.645   2.118
   29    HA   THR   4           HA       THR   4  -6.695  13.694   1.895
   30    HB   THR   4           HB       THR   4  -6.184  13.898  -0.545
   31    HG1  THR   4           HG1      THR   4  -3.947  14.249  -0.358
   32   1HG2  THR   4          1HG2      THR   4  -6.332  16.587   0.891
   33   2HG2  THR   4          2HG2      THR   4  -6.784  16.254  -0.791
   34   3HG2  THR   4          3HG2      THR   4  -7.711  15.522   0.533
   35    H    THR   5           H        THR   5  -6.360  11.771   0.420
   36    HA   THR   5           HA       THR   5  -4.343  10.035   1.583
   37    HB   THR   5           HB       THR   5  -6.555   9.225   1.353
   38    HG1  THR   5           HG1      THR   5  -6.066   7.300   0.270
   39   1HG2  THR   5          1HG2      THR   5  -6.353   9.490  -1.681
   40   2HG2  THR   5          2HG2      THR   5  -7.638   8.697  -0.763
   41   3HG2  THR   5          3HG2      THR   5  -7.412  10.440  -0.617
   42    H    THR   6           H        THR   6  -2.611  11.505   0.738
   43    HA   THR   6           HA       THR   6  -1.782  11.404  -2.006
   44    HB   THR   6           HB       THR   6   0.372  12.151  -1.097
   45    HG1  THR   6           HG1      THR   6  -0.858  11.881   1.444
   46   1HG2  THR   6          1HG2      THR   6  -1.454  13.792  -1.488
   47   2HG2  THR   6          2HG2      THR   6  -1.943  13.631   0.215
   48   3HG2  THR   6          3HG2      THR   6  -0.346  14.279  -0.192
   49    H    ALA   7           H        ALA   7   0.306  10.377  -2.667
   50    HA   ALA   7           HA       ALA   7   0.141   7.527  -2.357
   51   1HB   ALA   7          1HB       ALA   7   2.200   9.270  -3.721
   52   2HB   ALA   7          2HB       ALA   7   2.094   7.496  -3.825
   53   3HB   ALA   7          3HB       ALA   7   0.766   8.502  -4.450
   54    H    CYS   8           H        CYS   8   0.349   7.216  -0.147
   55    HA   CYS   8           HA       CYS   8   3.080   7.507   1.089
   56   1HB   CYS   8          1HB       CYS   8   1.953   7.790   3.162
   57   2HB   CYS   8          2HB       CYS   8   1.187   8.886   2.047
   58    H    CYS   9           H        CYS   9   2.765   6.016   3.180
   59    HA   CYS   9           HA       CYS   9   1.629   3.401   2.744
   60   1HB   CYS   9          1HB       CYS   9   3.954   3.567   1.424
   61   2HB   CYS   9          2HB       CYS   9   4.643   3.478   3.038
   62    H    ASP  10           H        ASP  10   2.543   1.967   4.767
   63    HA   ASP  10           HA       ASP  10   3.768   3.631   6.859
   64   1HB   ASP  10          1HB       ASP  10   1.264   1.923   7.156
   65   2HB   ASP  10          2HB       ASP  10   2.282   2.453   8.485
   66    HD2  ASP  10           HD2      ASP  10   1.300   5.874   8.157
   67    H    PHE  11           H        PHE  11   2.571   0.312   6.012
   68    HA   PHE  11           HA       PHE  11   5.056  -0.895   7.108
   69   1HB   PHE  11          1HB       PHE  11   2.570  -2.158   5.942
   70   2HB   PHE  11          2HB       PHE  11   3.904  -2.992   6.727
   71    HD1  PHE  11           HD1      PHE  11   1.211  -3.611   7.498
   72    HD2  PHE  11           HD2      PHE  11   3.830  -0.513   8.988
   73    HE1  PHE  11           HE1      PHE  11  -0.099  -3.500   9.593
   74    HE2  PHE  11           HE2      PHE  11   2.516  -0.404  11.061
   75    HZ   PHE  11           HZ       PHE  11   0.534  -1.874  11.374
   76    H    CYS  12           H        CYS  12   6.683  -0.915   5.731
   77    HA   CYS  12           HA       CYS  12   6.271  -1.340   2.798
   78   1HB   CYS  12          1HB       CYS  12   8.437   0.092   4.368
   79   2HB   CYS  12          2HB       CYS  12   8.574  -0.316   2.655
   80    HA   PRO  13           HA       PRO  13   8.842  -4.971   4.181
   81   1HB   PRO  13          1HB       PRO  13   7.255  -7.086   3.682
   82   2HB   PRO  13          2HB       PRO  13   7.059  -6.122   5.178
   83   1HG   PRO  13          1HG       PRO  13   5.499  -5.847   2.590
   84   2HG   PRO  13          2HG       PRO  13   4.869  -6.031   4.257
   85   1HD   PRO  13          1HD       PRO  13   5.175  -3.572   3.034
   86   2HD   PRO  13          2HD       PRO  13   5.405  -3.806   4.798
   87    H    CYS  14           H        CYS  14   9.660  -6.635   2.676
   88    HA   CYS  14           HA       CYS  14   8.937  -6.455  -0.123
   89   1HB   CYS  14          1HB       CYS  14  10.374  -4.455   0.335
   90   2HB   CYS  14          2HB       CYS  14  11.693  -5.523   0.835
   91    H    THR  15           H        THR  15  10.299  -7.893  -1.429
   92    HA   THR  15           HA       THR  15  10.934 -10.402  -0.048
   93    HB   THR  15           HB       THR  15  11.582 -11.193  -2.268
   94    HG1  THR  15           HG1      THR  15  11.713  -9.863  -3.966
   95   1HG2  THR  15          1HG2      THR  15   9.480 -10.843  -3.522
   96   2HG2  THR  15          2HG2      THR  15   9.217 -11.322  -1.838
   97   3HG2  THR  15          3HG2      THR  15   8.977  -9.632  -2.324
   98    H    ARG  16           H        ARG  16  13.127 -11.433  -0.710
   99    HA   ARG  16           HA       ARG  16  15.392  -9.511  -0.360
  100   1HB   ARG  16          1HB       ARG  16  16.660 -11.397   0.411
  101   2HB   ARG  16          2HB       ARG  16  15.218 -11.163   1.416
  102   1HG   ARG  16          1HG       ARG  16  14.082 -13.025   0.307
  103   2HG   ARG  16          2HG       ARG  16  15.433 -13.250  -0.818
  104   1HD   ARG  16          1HD       ARG  16  15.617 -13.539   2.206
  105   2HD   ARG  16          2HD       ARG  16  15.425 -14.880   1.058
  106    HE   ARG  16           HE       ARG  16  17.667 -13.361   0.248
  107   1HH1  ARG  16          1HH1      ARG  16  16.703 -15.494   2.916
  108   2HH1  ARG  16          2HH1      ARG  16  18.333 -16.020   3.253
  109   1HH2  ARG  16          1HH2      ARG  16  19.809 -14.038   0.724
  110   2HH2  ARG  16          2HH2      ARG  16  20.102 -15.186   2.003
  111    H    SER  17           H        SER  17  13.726 -10.869  -2.798
  112    HA   SER  17           HA       SER  17  15.794 -12.274  -4.238
  113   1HB   SER  17          1HB       SER  17  13.967 -12.445  -5.947
  114   2HB   SER  17          2HB       SER  17  13.525 -13.029  -4.354
  115    HG   SER  17           HG       SER  17  11.948 -11.654  -5.365
  116    H    ILE  18           H        ILE  18  15.740 -11.741  -6.665
  117    HA   ILE  18           HA       ILE  18  16.524  -8.926  -7.128
  118    HB   ILE  18           HB       ILE  18  18.429 -10.261  -6.524
  119   1HG1  ILE  18          1HG1      ILE  18  19.847  -9.962  -8.594
  120   2HG1  ILE  18          2HG1      ILE  18  18.389  -9.493  -9.477
  121   1HG2  ILE  18          1HG2      ILE  18  18.144 -12.029  -8.959
  122   2HG2  ILE  18          2HG2      ILE  18  19.277 -12.140  -7.612
  123   3HG2  ILE  18          3HG2      ILE  18  17.574 -12.518  -7.346
  124   1HD1  ILE  18          1HD1      ILE  18  19.488  -8.111  -6.978
  125   2HD1  ILE  18          2HD1      ILE  18  19.735  -7.562  -8.648
  126   3HD1  ILE  18          3HD1      ILE  18  18.109  -7.550  -7.952
  127    HA   PRO  19           HA       PRO  19  15.715  -7.364  -8.377
  128   1HB   PRO  19          1HB       PRO  19  13.356  -6.278  -9.210
  129   2HB   PRO  19          2HB       PRO  19  14.783  -6.494 -10.264
  130   1HG   PRO  19          1HG       PRO  19  12.385  -8.336 -10.006
  131   2HG   PRO  19          2HG       PRO  19  13.105  -7.678 -11.506
  132   1HD   PRO  19          1HD       PRO  19  13.740 -10.159 -10.591
  133   2HD   PRO  19          2HD       PRO  19  14.996  -9.109 -11.309
  134    HA   PRO  20           HA       PRO  20  13.210  -7.944  -4.702
  135   1HB   PRO  20          1HB       PRO  20  13.279  -5.480  -3.573
  136   2HB   PRO  20          2HB       PRO  20  14.762  -6.446  -3.806
  137   1HG   PRO  20          1HG       PRO  20  13.687  -4.250  -5.609
  138   2HG   PRO  20          2HG       PRO  20  15.330  -4.394  -4.927
  139   1HD   PRO  20          1HD       PRO  20  14.734  -5.298  -7.435
  140   2HD   PRO  20          2HD       PRO  20  15.883  -6.169  -6.377
  141    H    GLN  21           H        GLN  21  11.009  -7.999  -4.284
  142    HA   GLN  21           HA       GLN  21   9.175  -6.182  -5.767
  143   1HB   GLN  21          1HB       GLN  21   8.504  -8.797  -4.369
  144   2HB   GLN  21          2HB       GLN  21   7.541  -7.851  -5.497
  145   1HG   GLN  21          1HG       GLN  21  10.000  -9.531  -6.081
  146   2HG   GLN  21          2HG       GLN  21   8.335  -9.834  -6.586
  147   1HE2  GLN  21          1HE2      GLN  21  11.299  -8.310  -7.380
  148   2HE2  GLN  21          2HE2      GLN  21  10.750  -7.417  -8.789
  149    H    CYS  22           H        CYS  22   8.987  -4.436  -4.424
  150    HA   CYS  22           HA       CYS  22   8.521  -4.868  -1.514
  151   1HB   CYS  22          1HB       CYS  22   9.340  -2.301  -2.877
  152   2HB   CYS  22          2HB       CYS  22   9.238  -2.642  -1.160
  153    H    GLN  23           H        GLN  23   6.776  -3.963  -0.540
  154    HA   GLN  23           HA       GLN  23   4.637  -2.820  -2.303
  155   1HB   GLN  23          1HB       GLN  23   4.375  -5.248  -0.467
  156   2HB   GLN  23          2HB       GLN  23   3.043  -4.451  -1.322
  157   1HG   GLN  23          1HG       GLN  23   4.250  -4.924  -3.484
  158   2HG   GLN  23          2HG       GLN  23   5.346  -5.983  -2.583
  159   1HE2  GLN  23          1HE2      GLN  23   4.389  -7.863  -1.437
  160   2HE2  GLN  23          2HE2      GLN  23   2.887  -8.541  -2.029
  161    H    CYS  24           H        CYS  24   2.651  -2.382  -0.923
  162    HA   CYS  24           HA       CYS  24   3.340  -1.349   1.780
  163   1HB   CYS  24          1HB       CYS  24   1.205  -0.494  -0.206
  164   2HB   CYS  24          2HB       CYS  24   1.114  -0.119   1.520
  165    H    THR  25           H        THR  25   2.410  -2.473   3.436
  166    HA   THR  25           HA       THR  25   0.221  -4.430   2.760
  167    HB   THR  25           HB       THR  25   1.172  -5.856   4.538
  168    HG1  THR  25           HG1      THR  25   3.212  -5.347   5.312
  169   1HG2  THR  25          1HG2      THR  25   2.973  -6.742   3.188
  170   2HG2  THR  25          2HG2      THR  25   1.681  -6.186   2.119
  171   3HG2  THR  25          3HG2      THR  25   3.146  -5.202   2.310
  172    H    ASP  26           H        ASP  26   0.749  -1.527   4.427
  173    HA   ASP  26           HA       ASP  26  -0.751  -2.074   6.762
  174   1HB   ASP  26          1HB       ASP  26  -0.998   0.420   6.733
  175   2HB   ASP  26          2HB       ASP  26   0.628  -0.243   6.787
  176    HD2  ASP  26           HD2      ASP  26  -0.525   2.141   3.758
  177    H    VAL  27           H        VAL  27  -2.816  -1.878   7.175
  178    HA   VAL  27           HA       VAL  27  -4.691  -1.995   4.862
  179    HB   VAL  27           HB       VAL  27  -5.035  -3.339   7.564
  180   1HG1  VAL  27          1HG1      VAL  27  -6.627  -4.736   6.312
  181   2HG1  VAL  27          2HG1      VAL  27  -7.048  -3.030   6.143
  182   3HG1  VAL  27          3HG1      VAL  27  -6.246  -3.871   4.807
  183   1HG2  VAL  27          1HG2      VAL  27  -3.005  -4.315   6.645
  184   2HG2  VAL  27          2HG2      VAL  27  -4.329  -5.443   6.370
  185   3HG2  VAL  27          3HG2      VAL  27  -3.743  -4.437   5.030
  186    H    ARG  28           H        ARG  28  -6.145  -0.407   4.766
  187    HA   ARG  28           HA       ARG  28  -6.880   1.285   7.082
  188   1HB   ARG  28          1HB       ARG  28  -4.748   1.807   5.096
  189   2HB   ARG  28          2HB       ARG  28  -5.919   3.095   5.081
  190   1HG   ARG  28          1HG       ARG  28  -4.627   2.060   7.638
  191   2HG   ARG  28          2HG       ARG  28  -3.933   3.348   6.650
  192   1HD   ARG  28          1HD       ARG  28  -6.719   3.465   7.881
  193   2HD   ARG  28          2HD       ARG  28  -5.284   4.181   8.602
  194    HE   ARG  28           HE       ARG  28  -6.793   5.094   6.250
  195   1HH1  ARG  28          1HH1      ARG  28  -3.774   5.544   8.106
  196   2HH1  ARG  28          2HH1      ARG  28  -3.519   7.159   7.493
  197   1HH2  ARG  28          1HH2      ARG  28  -6.381   7.145   5.422
  198   2HH2  ARG  28          2HH2      ARG  28  -4.974   8.047   5.938
  199    H    GLU  29           H        GLU  29  -7.904   3.407   5.492
  200    HA   GLU  29           HA       GLU  29 -10.219   2.265   4.179
  201   1HB   GLU  29          1HB       GLU  29  -9.799   4.619   5.384
  202   2HB   GLU  29          2HB       GLU  29  -9.293   5.107   3.769
  203   1HG   GLU  29          1HG       GLU  29 -11.578   4.183   2.974
  204   2HG   GLU  29          2HG       GLU  29 -11.963   3.907   4.673
  205    HE2  GLU  29           HE2      GLU  29 -13.496   7.040   4.318
  206    H    LYS  30           H        LYS  30 -10.025   4.187   1.835
  207    HA   LYS  30           HA       LYS  30  -9.268   2.236   0.036
  208   1HB   LYS  30          1HB       LYS  30  -9.344   3.977  -1.683
  209   2HB   LYS  30          2HB       LYS  30 -10.760   3.903  -0.663
  210   1HG   LYS  30          1HG       LYS  30 -10.104   5.905   0.546
  211   2HG   LYS  30          2HG       LYS  30  -8.482   5.894  -0.151
  212   1HD   LYS  30          1HD       LYS  30 -11.036   6.326  -1.757
  213   2HD   LYS  30          2HD       LYS  30 -10.003   7.612  -1.110
  214   1HE   LYS  30          1HE       LYS  30  -8.064   6.668  -2.423
  215   2HE   LYS  30          2HE       LYS  30  -9.184   5.536  -3.198
  216   1HZ   LYS  30          1HZ       LYS  30 -10.405   7.397  -4.031
  217   2HZ   LYS  30          2HZ       LYS  30  -9.355   8.454  -3.325
  218   3HZ   LYS  30          3HZ       LYS  30  -8.833   7.449  -4.519
  219    H    CYS  31           H        CYS  31  -7.734   2.041  -1.479
  220    HA   CYS  31           HA       CYS  31  -5.019   2.339  -0.646
  221   1HB   CYS  31          1HB       CYS  31  -4.621   1.536  -3.074
  222   2HB   CYS  31          2HB       CYS  31  -5.310   0.490  -1.855
  223    H    HIS  32           H        HIS  32  -3.365   3.525  -1.515
  224    HA   HIS  32           HA       HIS  32  -4.156   6.240  -1.634
  225   1HB   HIS  32          1HB       HIS  32  -1.802   6.785  -1.605
  226   2HB   HIS  32          2HB       HIS  32  -2.274   5.647  -0.395
  227    HD1  HIS  32           HD1      HIS  32  -0.312   5.771  -3.694
  228    HD2  HIS  32           HD2      HIS  32  -0.858   3.392  -0.270
  229    HE1  HIS  32           HE1      HIS  32   1.540   4.011  -3.692
  230    HE2  HIS  32           HE2      HIS  32   1.209   2.535  -1.629
  231    H    SER  33           H        SER  33  -2.834   7.796  -3.006
  232    HA   SER  33           HA       SER  33  -3.928   7.636  -5.648
  233   1HB   SER  33          1HB       SER  33  -3.811   9.672  -4.216
  234   2HB   SER  33          2HB       SER  33  -2.062   9.701  -4.501
  235    HG   SER  33           HG       SER  33  -2.585   9.791  -6.764
  236    H    ALA  34           H        ALA  34  -1.696   5.638  -5.044
  237    HA   ALA  34           HA       ALA  34  -0.549   5.819  -7.698
  238   1HB   ALA  34          1HB       ALA  34   1.811   5.671  -7.018
  239   2HB   ALA  34          2HB       ALA  34   1.112   7.215  -6.508
  240   3HB   ALA  34          3HB       ALA  34   1.355   5.914  -5.322
  241    H    CYS  35           H        CYS  35  -2.268   4.031  -7.200
  242    HA   CYS  35           HA       CYS  35  -0.806   1.541  -6.488
  243   1HB   CYS  35          1HB       CYS  35  -3.669   2.267  -5.826
  244   2HB   CYS  35          2HB       CYS  35  -2.927   0.679  -5.570
  245    H    LYS  36           H        LYS  36  -0.840   0.004  -7.959
  246    HA   LYS  36           HA       LYS  36  -2.427   0.347 -10.456
  247   1HB   LYS  36          1HB       LYS  36   0.224  -0.975  -9.756
  248   2HB   LYS  36          2HB       LYS  36  -0.663  -1.353 -11.225
  249   1HG   LYS  36          1HG       LYS  36   1.060   0.274 -11.690
  250   2HG   LYS  36          2HG       LYS  36  -0.539   0.962 -11.998
  251   1HD   LYS  36          1HD       LYS  36  -0.451   2.288  -9.989
  252   2HD   LYS  36          2HD       LYS  36   0.988   1.419  -9.401
  253   1HE   LYS  36          1HE       LYS  36   2.290   2.367 -11.302
  254   2HE   LYS  36          2HE       LYS  36   0.840   3.234 -11.848
  255   1HZ   LYS  36          1HZ       LYS  36   2.267   4.617 -10.531
  256   2HZ   LYS  36          2HZ       LYS  36   0.827   4.395  -9.762
  257   3HZ   LYS  36          3HZ       LYS  36   2.167   3.586  -9.250
  258    H    SER  37           H        SER  37  -1.303  -1.971  -8.006
  259    HA   SER  37           HA       SER  37  -3.740  -3.634  -8.482
  260   1HB   SER  37          1HB       SER  37  -1.545  -4.849  -8.714
  261   2HB   SER  37          2HB       SER  37  -1.205  -4.459  -7.033
  262    HG   SER  37           HG       SER  37  -3.212  -5.547  -6.533
  263    H    CYS  38           H        CYS  38  -5.147  -3.774  -6.815
  264    HA   CYS  38           HA       CYS  38  -4.507  -3.012  -4.071
  265   1HB   CYS  38          1HB       CYS  38  -4.986  -0.866  -5.060
  266   2HB   CYS  38          2HB       CYS  38  -6.411  -1.481  -5.895
  267    H    LEU  39           H        LEU  39  -6.056  -3.857  -2.637
  268    HA   LEU  39           HA       LEU  39  -8.485  -5.043  -3.637
  269   1HB   LEU  39          1HB       LEU  39  -6.618  -6.779  -4.150
  270   2HB   LEU  39          2HB       LEU  39  -6.482  -6.979  -2.406
  271    HG   LEU  39           HG       LEU  39  -8.856  -7.732  -2.309
  272   1HD1  LEU  39          1HD1      LEU  39  -8.680  -7.463  -5.347
  273   2HD1  LEU  39          2HD1      LEU  39  -9.919  -8.410  -4.500
  274   3HD1  LEU  39          3HD1      LEU  39  -9.850  -6.663  -4.273
  275   1HD2  LEU  39          1HD2      LEU  39  -7.099  -9.248  -4.273
  276   2HD2  LEU  39          2HD2      LEU  39  -6.987  -9.325  -2.501
  277   3HD2  LEU  39          3HD2      LEU  39  -8.441  -9.918  -3.319
  278    H    CYS  40           H        CYS  40  -9.848  -5.843  -1.892
  279    HA   CYS  40           HA       CYS  40  -9.046  -4.898   0.802
  280   1HB   CYS  40          1HB       CYS  40 -11.830  -4.630  -0.361
  281   2HB   CYS  40          2HB       CYS  40 -11.211  -3.907   1.117
  282    H    THR  41           H        THR  41 -10.337  -5.824   2.531
  283    HA   THR  41           HA       THR  41 -10.324  -8.705   2.215
  284    HB   THR  41           HB       THR  41 -10.888  -8.662   4.634
  285    HG1  THR  41           HG1      THR  41 -11.436  -6.846   5.580
  286   1HG2  THR  41          1HG2      THR  41  -8.628  -6.757   3.894
  287   2HG2  THR  41          2HG2      THR  41  -8.800  -7.675   5.404
  288   3HG2  THR  41          3HG2      THR  41  -8.530  -8.532   3.872
  289    H    ARG  42           H        ARG  42 -12.044 -10.113   2.735
  290    HA   ARG  42           HA       ARG  42 -14.736  -9.136   2.006
  291   1HB   ARG  42          1HB       ARG  42 -15.304 -11.421   1.717
  292   2HB   ARG  42          2HB       ARG  42 -13.822 -11.072   0.821
  293   1HG   ARG  42          1HG       ARG  42 -12.492 -12.157   2.601
  294   2HG   ARG  42          2HG       ARG  42 -13.983 -12.472   3.524
  295   1HD   ARG  42          1HD       ARG  42 -14.862 -13.820   1.649
  296   2HD   ARG  42          2HD       ARG  42 -13.358 -13.543   0.742
  297    HE   ARG  42           HE       ARG  42 -12.597 -14.595   3.220
  298   1HH1  ARG  42          1HH1      ARG  42 -14.546 -15.693   0.457
  299   2HH1  ARG  42          2HH1      ARG  42 -14.173 -17.378   0.708
  300   1HH2  ARG  42          1HH2      ARG  42 -12.106 -16.809   3.519
  301   2HH2  ARG  42          2HH2      ARG  42 -12.778 -18.013   2.453
  302    H    SER  43           H        SER  43 -13.137  -8.933   4.815
  303    HA   SER  43           HA       SER  43 -14.890 -10.292   6.622
  304   1HB   SER  43          1HB       SER  43 -13.641  -8.750   8.271
  305   2HB   SER  43          2HB       SER  43 -12.706  -9.939   7.386
  306    HG   SER  43           HG       SER  43 -11.874  -7.722   7.466
  307    H    PHE  44           H        PHE  44 -15.738  -8.828   8.434
  308    HA   PHE  44           HA       PHE  44 -17.197  -6.461   7.373
  309   1HB   PHE  44          1HB       PHE  44 -18.706  -8.381   7.454
  310   2HB   PHE  44          2HB       PHE  44 -18.391  -8.569   9.178
  311    HD1  PHE  44           HD1      PHE  44 -19.912  -6.397   6.571
  312    HD2  PHE  44           HD2      PHE  44 -19.383  -7.013  10.808
  313    HE1  PHE  44           HE1      PHE  44 -21.628  -4.668   7.041
  314    HE2  PHE  44           HE2      PHE  44 -21.083  -5.271  11.270
  315    HZ   PHE  44           HZ       PHE  44 -22.192  -4.080   9.390
  316    HA   PRO  45           HA       PRO  45 -17.129  -4.349   7.840
  317   1HB   PRO  45          1HB       PRO  45 -15.347  -2.324   8.192
  318   2HB   PRO  45          2HB       PRO  45 -16.800  -2.532   9.211
  319   1HG   PRO  45          1HG       PRO  45 -13.983  -3.473   9.823
  320   2HG   PRO  45          2HG       PRO  45 -15.060  -2.501  10.869
  321   1HD   PRO  45          1HD       PRO  45 -14.887  -5.201  11.142
  322   2HD   PRO  45          2HD       PRO  45 -16.464  -4.377  11.304
  323    HA   PRO  46           HA       PRO  46 -13.715  -5.706   5.109
  324   1HB   PRO  46          1HB       PRO  46 -14.292  -4.361   2.835
  325   2HB   PRO  46          2HB       PRO  46 -15.378  -5.638   3.456
  326   1HG   PRO  46          1HG       PRO  46 -15.643  -2.644   3.886
  327   2HG   PRO  46          2HG       PRO  46 -16.891  -3.768   3.272
  328   1HD   PRO  46          1HD       PRO  46 -16.739  -3.050   5.905
  329   2HD   PRO  46          2HD       PRO  46 -17.221  -4.704   5.422
  330    H    GLN  47           H        GLN  47 -11.711  -4.792   4.292
  331    HA   GLN  47           HA       GLN  47 -11.158  -1.961   4.871
  332   1HB   GLN  47          1HB       GLN  47 -10.899  -3.625   6.962
  333   2HB   GLN  47          2HB       GLN  47  -9.416  -4.092   6.131
  334   1HG   GLN  47          1HG       GLN  47  -8.837  -2.441   7.728
  335   2HG   GLN  47          2HG       GLN  47  -8.747  -1.650   6.147
  336   1HE2  GLN  47          1HE2      GLN  47 -10.230   0.014   5.647
  337   2HE2  GLN  47          2HE2      GLN  47 -11.399   0.621   6.807
  338    H    CYS  48           H        CYS  48  -9.431  -1.137   3.678
  339    HA   CYS  48           HA       CYS  48  -8.739  -2.894   1.402
  340   1HB   CYS  48          1HB       CYS  48  -9.175   0.065   1.714
  341   2HB   CYS  48          2HB       CYS  48  -8.529  -0.660   0.248
  342    H    ARG  49           H        ARG  49  -6.804  -2.690   0.281
  343    HA   ARG  49           HA       ARG  49  -4.508  -1.372   1.560
  344   1HB   ARG  49          1HB       ARG  49  -4.675  -3.400   2.793
  345   2HB   ARG  49          2HB       ARG  49  -4.864  -4.372   1.335
  346   1HG   ARG  49          1HG       ARG  49  -2.330  -2.767   1.819
  347   2HG   ARG  49          2HG       ARG  49  -2.603  -4.274   2.688
  348   1HD   ARG  49          1HD       ARG  49  -2.427  -4.024  -0.340
  349   2HD   ARG  49          2HD       ARG  49  -1.237  -4.694   0.750
  350    HE   ARG  49           HE       ARG  49  -2.547  -6.576   1.180
  351   1HH1  ARG  49          1HH1      ARG  49  -4.148  -4.477  -1.232
  352   2HH1  ARG  49          2HH1      ARG  49  -5.054  -5.786  -1.918
  353   1HH2  ARG  49          1HH2      ARG  49  -3.805  -8.247   0.279
  354   2HH2  ARG  49          2HH2      ARG  49  -4.922  -7.910  -1.016
  355    H    CYS  50           H        CYS  50  -2.767  -1.239   0.234
  356    HA   CYS  50           HA       CYS  50  -3.376  -1.280  -2.689
  357   1HB   CYS  50          1HB       CYS  50  -2.838   0.900  -1.688
  358   2HB   CYS  50          2HB       CYS  50  -1.374   0.250  -0.974
  359    H    TYR  51           H        TYR  51  -2.396  -2.857  -3.880
  360    HA   TYR  51           HA       TYR  51  -0.173  -4.400  -2.632
  361   1HB   TYR  51          1HB       TYR  51  -2.530  -5.375  -3.177
  362   2HB   TYR  51          2HB       TYR  51  -2.024  -5.315  -4.839
  363    HD1  TYR  51           HD1      TYR  51  -0.819  -6.505  -1.465
  364    HD2  TYR  51           HD2      TYR  51  -0.966  -7.268  -5.709
  365    HE1  TYR  51           HE1      TYR  51   0.403  -8.629  -1.126
  366    HE2  TYR  51           HE2      TYR  51   0.269  -9.385  -5.367
  367    HH   TYR  51           HH       TYR  51   1.316 -10.497  -2.127
  368    H    ASP  52           H        ASP  52   0.127  -1.887  -4.301
  369    HA   ASP  52           HA       ASP  52   1.002  -2.533  -6.898
  370   1HB   ASP  52          1HB       ASP  52   0.446  -0.283  -6.110
  371   2HB   ASP  52          2HB       ASP  52   1.853  -0.272  -5.038
  372    HD2  ASP  52           HD2      ASP  52   3.013  -0.427  -8.904
  373    H    ILE  53           H        ILE  53   2.958  -3.111  -7.747
  374    HA   ILE  53           HA       ILE  53   4.999  -4.248  -5.890
  375    HB   ILE  53           HB       ILE  53   4.279  -4.810  -8.797
  376   1HG1  ILE  53          1HG1      ILE  53   2.621  -5.684  -7.119
  377   2HG1  ILE  53          2HG1      ILE  53   3.377  -6.886  -8.157
  378   1HG2  ILE  53          1HG2      ILE  53   5.853  -6.760  -8.546
  379   2HG2  ILE  53          2HG2      ILE  53   6.641  -5.179  -8.575
  380   3HG2  ILE  53          3HG2      ILE  53   6.436  -6.027  -7.033
  381   1HD1  ILE  53          1HD1      ILE  53   3.173  -7.626  -5.796
  382   2HD1  ILE  53          2HD1      ILE  53   4.850  -7.628  -6.361
  383   3HD1  ILE  53          3HD1      ILE  53   4.274  -6.321  -5.310
  384    H    THR  54           H        THR  54   6.649  -2.835  -5.604
  385    HA   THR  54           HA       THR  54   7.856  -1.526  -7.986
  386    HB   THR  54           HB       THR  54   8.209   0.511  -6.496
  387    HG1  THR  54           HG1      THR  54   7.604  -0.378  -4.512
  388   1HG2  THR  54          1HG2      THR  54   6.555   0.520  -8.342
  389   2HG2  THR  54          2HG2      THR  54   5.319  -0.128  -7.241
  390   3HG2  THR  54          3HG2      THR  54   5.999   1.483  -6.958
  391    H    ASP  55           H        ASP  55  10.070  -0.839  -7.598
  392    HA   ASP  55           HA       ASP  55  11.585  -2.718  -5.962
  393   1HB   ASP  55          1HB       ASP  55  12.378  -0.290  -7.628
  394   2HB   ASP  55          2HB       ASP  55  13.507  -1.370  -6.810
  395    HD2  ASP  55           HD2      ASP  55  12.733  -4.143  -8.962
  396    H    PHE  56           H        PHE  56  10.166   0.396  -5.487
  397    HA   PHE  56           HA       PHE  56  11.757   0.925  -3.011
  398   1HB   PHE  56          1HB       PHE  56  11.106   3.316  -3.431
  399   2HB   PHE  56          2HB       PHE  56  12.140   2.620  -4.642
  400    HD1  PHE  56           HD1      PHE  56   8.649   3.721  -3.917
  401    HD2  PHE  56           HD2      PHE  56  11.412   2.370  -6.945
  402    HE1  PHE  56           HE1      PHE  56   6.984   4.237  -5.671
  403    HE2  PHE  56           HE2      PHE  56   9.751   2.928  -8.699
  404    HZ   PHE  56           HZ       PHE  56   7.525   3.837  -8.063
  405    H    CYS  57           H        CYS  57  10.235   2.654  -1.768
  406    HA   CYS  57           HA       CYS  57   7.414   1.876  -1.741
  407   1HB   CYS  57          1HB       CYS  57   8.625   0.339  -0.124
  408   2HB   CYS  57          2HB       CYS  57   9.039   1.770   0.827
  409    H    TYR  58           H        TYR  58   6.115   3.467  -0.584
  410    HA   TYR  58           HA       TYR  58   7.207   6.160  -0.839
  411   1HB   TYR  58          1HB       TYR  58   4.473   4.968  -0.239
  412   2HB   TYR  58          2HB       TYR  58   4.774   6.690  -0.275
  413    HD1  TYR  58           HD1      TYR  58   5.536   7.814  -2.392
  414    HD2  TYR  58           HD2      TYR  58   4.217   3.708  -2.300
  415    HE1  TYR  58           HE1      TYR  58   5.254   7.852  -4.848
  416    HE2  TYR  58           HE2      TYR  58   3.960   3.742  -4.768
  417    HH   TYR  58           HH       TYR  58   4.672   6.661  -6.717
  418    HA   PRO  59           HA       PRO  59   8.004   6.676   3.472
  419   1HB   PRO  59          1HB       PRO  59   7.488   9.327   3.954
  420   2HB   PRO  59          2HB       PRO  59   8.817   8.767   2.902
  421   1HG   PRO  59          1HG       PRO  59   6.041   9.639   2.052
  422   2HG   PRO  59          2HG       PRO  59   7.611  10.220   1.419
  423   1HD   PRO  59          1HD       PRO  59   6.226   8.285   0.150
  424   2HD   PRO  59          2HD       PRO  59   8.001   8.171   0.278
  425    H    SER  60           H        SER  60   6.980   7.637   5.614
  426    HA   SER  60           HA       SER  60   4.634   6.218   6.078
  427   1HB   SER  60          1HB       SER  60   4.751   7.680   8.259
  428   2HB   SER  60          2HB       SER  60   5.899   6.386   7.913
  429    HG   SER  60           HG       SER  60   6.270   9.158   7.356
  430    H    CYS  61           H        CYS  61   2.602   6.763   6.354
  431    HA   CYS  61           HA       CYS  61   1.566   9.173   5.077
  432   1HB   CYS  61          1HB       CYS  61   0.667   6.596   5.257
  433   2HB   CYS  61          2HB       CYS  61  -0.291   7.329   6.528
  434    H    SER  62           H        SER  62  -0.698   9.821   6.381
  435    HA   SER  62           HA       SER  62  -0.239  10.186   9.250
  436   1HB   SER  62          1HB       SER  62   0.593  12.297   8.198
  437   2HB   SER  62          2HB       SER  62  -0.986  12.507   7.412
  438    HG   SER  62           HG       SER  62  -1.837  12.357   9.626
  Start of MODEL    7
    1   1H    THR   1          1H        THR   1  -0.924  14.104   7.599
    2   2H    THR   1          2H        THR   1  -0.952  15.310   6.481
    3   3H    THR   1          3H        THR   1  -0.834  15.676   8.089
    4    HA   THR   1           HA       THR   1  -3.148  14.420   6.815
    5    HB   THR   1           HB       THR   1  -4.241  14.874   9.011
    6    HG1  THR   1           HG1      THR   1  -2.779  15.141  10.780
    7   1HG2  THR   1          1HG2      THR   1  -1.880  12.990   9.275
    8   2HG2  THR   1          2HG2      THR   1  -3.443  12.894  10.092
    9   3HG2  THR   1          3HG2      THR   1  -3.346  12.605   8.345
   10    H    LYS   2           H        LYS   2  -2.722  16.240   5.217
   11    HA   LYS   2           HA       LYS   2  -4.659  18.279   5.714
   12   1HB   LYS   2          1HB       LYS   2  -2.768  19.326   6.928
   13   2HB   LYS   2          2HB       LYS   2  -1.770  19.244   5.479
   14   1HG   LYS   2          1HG       LYS   2  -3.190  20.753   4.288
   15   2HG   LYS   2          2HG       LYS   2  -4.468  20.687   5.505
   16   1HD   LYS   2          1HD       LYS   2  -1.709  21.675   6.287
   17   2HD   LYS   2          2HD       LYS   2  -2.780  22.720   5.353
   18   1HE   LYS   2          1HE       LYS   2  -2.982  23.214   7.723
   19   2HE   LYS   2          2HE       LYS   2  -4.517  22.639   7.055
   20   1HZ   LYS   2          1HZ       LYS   2  -4.079  20.512   8.033
   21   2HZ   LYS   2          2HZ       LYS   2  -2.622  21.021   8.611
   22   3HZ   LYS   2          3HZ       LYS   2  -4.015  21.685   9.185
   23    H    SER   3           H        SER   3  -1.693  17.702   3.743
   24    HA   SER   3           HA       SER   3  -2.743  18.577   1.277
   25   1HB   SER   3          1HB       SER   3  -0.585  16.495   1.831
   26   2HB   SER   3          2HB       SER   3  -0.820  17.389   0.314
   27    HG   SER   3           HG       SER   3   0.766  18.347   1.663
   28    H    THR   4           H        THR   4  -3.954  17.587  -0.288
   29    HA   THR   4           HA       THR   4  -5.755  15.608   0.267
   30    HB   THR   4           HB       THR   4  -4.656  16.364  -2.444
   31    HG1  THR   4           HG1      THR   4  -6.367  17.874  -2.360
   32   1HG2  THR   4          1HG2      THR   4  -6.945  15.783  -3.246
   33   2HG2  THR   4          2HG2      THR   4  -6.101  14.371  -2.599
   34   3HG2  THR   4          3HG2      THR   4  -7.350  15.181  -1.625
   35    H    THR   5           H        THR   5  -5.610  13.516   0.584
   36    HA   THR   5           HA       THR   5  -4.201  11.625   1.043
   37    HB   THR   5           HB       THR   5  -5.302  10.012  -0.529
   38    HG1  THR   5           HG1      THR   5  -6.397  12.397  -1.608
   39   1HG2  THR   5          1HG2      THR   5  -6.391  10.717   1.564
   40   2HG2  THR   5          2HG2      THR   5  -7.152  12.086   0.721
   41   3HG2  THR   5          3HG2      THR   5  -7.568  10.423   0.269
   42    H    THR   6           H        THR   6  -1.967  12.234   0.699
   43    HA   THR   6           HA       THR   6  -0.775  12.154  -1.893
   44    HB   THR   6           HB       THR   6   1.333  12.179  -0.608
   45    HG1  THR   6           HG1      THR   6   1.159  12.287   1.668
   46   1HG2  THR   6          1HG2      THR   6   0.099  14.285  -1.091
   47   2HG2  THR   6          2HG2      THR   6  -0.747  14.136   0.466
   48   3HG2  THR   6          3HG2      THR   6   1.013  14.368   0.428
   49    H    ALA   7           H        ALA   7   0.869  10.655  -2.617
   50    HA   ALA   7           HA       ALA   7   0.100   7.876  -2.337
   51   1HB   ALA   7          1HB       ALA   7   0.903   8.713  -4.464
   52   2HB   ALA   7          2HB       ALA   7   2.467   9.154  -3.740
   53   3HB   ALA   7          3HB       ALA   7   1.981   7.447  -3.830
   54    H    CYS   8           H        CYS   8   0.344   7.343  -0.154
   55    HA   CYS   8           HA       CYS   8   3.131   6.815   0.673
   56   1HB   CYS   8          1HB       CYS   8   2.704   7.633   2.936
   57   2HB   CYS   8          2HB       CYS   8   2.835   8.852   1.707
   58    H    CYS   9           H        CYS   9   3.190   5.602   2.651
   59    HA   CYS   9           HA       CYS   9   1.214   3.454   2.976
   60   1HB   CYS   9          1HB       CYS   9   2.212   2.800   0.899
   61   2HB   CYS   9          2HB       CYS   9   3.834   3.222   1.444
   62    H    ASP  10           H        ASP  10   1.913   2.031   4.765
   63    HA   ASP  10           HA       ASP  10   3.596   3.590   6.687
   64   1HB   ASP  10          1HB       ASP  10   1.298   3.536   7.314
   65   2HB   ASP  10          2HB       ASP  10   1.185   1.792   7.050
   66    HD2  ASP  10           HD2      ASP  10   3.287   3.071  10.297
   67    H    PHE  11           H        PHE  11   2.537   0.145   6.409
   68    HA   PHE  11           HA       PHE  11   5.272  -0.761   7.140
   69   1HB   PHE  11          1HB       PHE  11   2.711  -2.282   6.628
   70   2HB   PHE  11          2HB       PHE  11   4.223  -2.962   7.223
   71    HD1  PHE  11           HD1      PHE  11   4.824  -0.712   9.318
   72    HD2  PHE  11           HD2      PHE  11   1.324  -3.067   8.385
   73    HE1  PHE  11           HE1      PHE  11   4.032  -0.459  11.630
   74    HE2  PHE  11           HE2      PHE  11   0.541  -2.815  10.710
   75    HZ   PHE  11           HZ       PHE  11   1.870  -1.469  12.339
   76    H    CYS  12           H        CYS  12   6.615  -0.831   5.452
   77    HA   CYS  12           HA       CYS  12   5.605  -1.955   2.898
   78   1HB   CYS  12          1HB       CYS  12   5.956   0.537   2.855
   79   2HB   CYS  12          2HB       CYS  12   7.685   0.216   2.907
   80    HA   PRO  13           HA       PRO  13   9.326  -4.401   4.264
   81   1HB   PRO  13          1HB       PRO  13   8.216  -6.900   4.148
   82   2HB   PRO  13          2HB       PRO  13   8.083  -5.844   5.585
   83   1HG   PRO  13          1HG       PRO  13   6.062  -6.167   3.345
   84   2HG   PRO  13          2HG       PRO  13   5.774  -6.291   5.110
   85   1HD   PRO  13          1HD       PRO  13   5.278  -3.995   3.771
   86   2HD   PRO  13          2HD       PRO  13   6.029  -3.944   5.393
   87    H    CYS  14           H        CYS  14  10.542  -5.846   2.891
   88    HA   CYS  14           HA       CYS  14   9.611  -6.099   0.102
   89   1HB   CYS  14          1HB       CYS  14  12.392  -5.162   0.904
   90   2HB   CYS  14          2HB       CYS  14  11.693  -5.197  -0.708
   91    H    THR  15           H        THR  15  10.837  -7.601  -1.181
   92    HA   THR  15           HA       THR  15  11.703  -9.964   0.318
   93    HB   THR  15           HB       THR  15  11.940 -10.932  -1.920
   94    HG1  THR  15           HG1      THR  15  11.908  -9.746  -3.668
   95   1HG2  THR  15          1HG2      THR  15   9.624 -10.881  -2.654
   96   2HG2  THR  15          2HG2      THR  15   9.670 -10.898  -0.880
   97   3HG2  THR  15          3HG2      THR  15   9.314  -9.388  -1.751
   98    H    ARG  16           H        ARG  16  13.783 -10.964  -0.263
   99    HA   ARG  16           HA       ARG  16  15.959  -9.008  -0.920
  100   1HB   ARG  16          1HB       ARG  16  16.100 -11.477   0.846
  101   2HB   ARG  16          2HB       ARG  16  17.427 -10.381   0.412
  102   1HG   ARG  16          1HG       ARG  16  16.128  -8.489   1.496
  103   2HG   ARG  16          2HG       ARG  16  14.941  -9.683   2.046
  104   1HD   ARG  16          1HD       ARG  16  16.436  -9.318   3.883
  105   2HD   ARG  16          2HD       ARG  16  16.783 -10.915   3.225
  106    HE   ARG  16           HE       ARG  16  18.876 -10.231   2.569
  107   1HH1  ARG  16          1HH1      ARG  16  16.979  -7.333   3.371
  108   2HH1  ARG  16          2HH1      ARG  16  18.365  -6.274   3.363
  109   1HH2  ARG  16          1HH2      ARG  16  20.677  -8.824   2.551
  110   2HH2  ARG  16          2HH2      ARG  16  20.473  -7.124   2.885
  111    H    SER  17           H        SER  17  14.236 -10.456  -2.796
  112    HA   SER  17           HA       SER  17  15.975 -12.416  -4.089
  113   1HB   SER  17          1HB       SER  17  14.193 -12.042  -5.915
  114   2HB   SER  17          2HB       SER  17  13.680 -12.797  -4.412
  115    HG   SER  17           HG       SER  17  12.296 -11.106  -5.183
  116    H    ILE  18           H        ILE  18  16.240 -11.853  -6.512
  117    HA   ILE  18           HA       ILE  18  17.272  -9.087  -6.872
  118    HB   ILE  18           HB       ILE  18  18.637 -11.642  -7.655
  119   1HG1  ILE  18          1HG1      ILE  18  19.016 -10.987  -5.296
  120   2HG1  ILE  18          2HG1      ILE  18  20.473 -10.920  -6.281
  121   1HG2  ILE  18          1HG2      ILE  18  19.211  -8.775  -8.464
  122   2HG2  ILE  18          2HG2      ILE  18  20.422 -10.073  -8.561
  123   3HG2  ILE  18          3HG2      ILE  18  18.939 -10.177  -9.513
  124   1HD1  ILE  18          1HD1      ILE  18  18.815  -8.483  -5.474
  125   2HD1  ILE  18          2HD1      ILE  18  20.337  -9.010  -4.753
  126   3HD1  ILE  18          3HD1      ILE  18  20.309  -8.462  -6.435
  127    HA   PRO  19           HA       PRO  19  16.666  -7.454  -8.011
  128   1HB   PRO  19          1HB       PRO  19  14.438  -6.087  -8.851
  129   2HB   PRO  19          2HB       PRO  19  15.872  -6.371  -9.878
  130   1HG   PRO  19          1HG       PRO  19  13.298  -7.970  -9.812
  131   2HG   PRO  19          2HG       PRO  19  14.156  -7.326 -11.243
  132   1HD   PRO  19          1HD       PRO  19  14.459  -9.908 -10.411
  133   2HD   PRO  19          2HD       PRO  19  15.841  -8.991 -11.073
  134    HA   PRO  20           HA       PRO  20  13.757  -8.099  -4.551
  135   1HB   PRO  20          1HB       PRO  20  14.126  -5.883  -3.070
  136   2HB   PRO  20          2HB       PRO  20  15.442  -7.066  -3.329
  137   1HG   PRO  20          1HG       PRO  20  14.974  -4.472  -4.837
  138   2HG   PRO  20          2HG       PRO  20  16.494  -5.039  -4.087
  139   1HD   PRO  20          1HD       PRO  20  15.927  -5.403  -6.754
  140   2HD   PRO  20          2HD       PRO  20  16.866  -6.597  -5.808
  141    H    GLN  21           H        GLN  21  11.654  -7.598  -3.972
  142    HA   GLN  21           HA       GLN  21  10.227  -5.399  -5.408
  143   1HB   GLN  21          1HB       GLN  21   9.478  -8.288  -4.789
  144   2HB   GLN  21          2HB       GLN  21   8.274  -7.040  -5.063
  145   1HG   GLN  21          1HG       GLN  21   8.644  -8.230  -7.138
  146   2HG   GLN  21          2HG       GLN  21   9.188  -6.555  -7.299
  147   1HE2  GLN  21          1HE2      GLN  21  10.586  -9.684  -6.107
  148   2HE2  GLN  21          2HE2      GLN  21  12.112  -9.495  -6.957
  149    H    CYS  22           H        CYS  22   9.223  -4.014  -4.094
  150    HA   CYS  22           HA       CYS  22   8.855  -4.648  -1.208
  151   1HB   CYS  22          1HB       CYS  22   8.976  -1.981  -2.613
  152   2HB   CYS  22          2HB       CYS  22   8.647  -2.223  -0.909
  153    H    GLN  23           H        GLN  23   6.888  -4.369  -0.297
  154    HA   GLN  23           HA       GLN  23   4.544  -3.691  -1.979
  155   1HB   GLN  23          1HB       GLN  23   3.453  -5.699  -1.207
  156   2HB   GLN  23          2HB       GLN  23   4.930  -6.139  -2.080
  157   1HG   GLN  23          1HG       GLN  23   6.087  -6.601   0.036
  158   2HG   GLN  23          2HG       GLN  23   4.689  -6.040   0.965
  159   1HE2  GLN  23          1HE2      GLN  23   5.700  -8.525  -1.421
  160   2HE2  GLN  23          2HE2      GLN  23   4.522  -9.717  -0.909
  161    H    CYS  24           H        CYS  24   2.622  -3.307  -0.641
  162    HA   CYS  24           HA       CYS  24   3.306  -2.189   2.040
  163   1HB   CYS  24          1HB       CYS  24   1.250  -1.475  -0.045
  164   2HB   CYS  24          2HB       CYS  24   1.172  -0.883   1.623
  165    H    THR  25           H        THR  25   2.496  -3.138   3.777
  166    HA   THR  25           HA       THR  25   0.487  -5.321   3.441
  167    HB   THR  25           HB       THR  25   1.519  -6.175   5.545
  168    HG1  THR  25           HG1      THR  25   3.506  -5.227   6.141
  169   1HG2  THR  25          1HG2      THR  25   2.249  -6.958   3.299
  170   2HG2  THR  25          2HG2      THR  25   3.498  -5.692   3.276
  171   3HG2  THR  25          3HG2      THR  25   3.559  -6.986   4.496
  172    H    ASP  26           H        ASP  26   0.909  -2.153   4.924
  173    HA   ASP  26           HA       ASP  26  -0.818  -2.475   7.115
  174   1HB   ASP  26          1HB       ASP  26  -1.037   0.012   6.867
  175   2HB   ASP  26          2HB       ASP  26   0.593  -0.618   7.027
  176    HD2  ASP  26           HD2      ASP  26  -0.630   1.086   3.537
  177    H    VAL  27           H        VAL  27  -2.928  -2.071   7.382
  178    HA   VAL  27           HA       VAL  27  -4.705  -2.236   4.977
  179    HB   VAL  27           HB       VAL  27  -5.044  -3.426   7.766
  180   1HG1  VAL  27          1HG1      VAL  27  -7.044  -4.540   6.704
  181   2HG1  VAL  27          2HG1      VAL  27  -7.208  -2.791   6.904
  182   3HG1  VAL  27          3HG1      VAL  27  -6.835  -3.472   5.299
  183   1HG2  VAL  27          1HG2      VAL  27  -3.407  -4.691   6.429
  184   2HG2  VAL  27          2HG2      VAL  27  -4.916  -5.596   6.557
  185   3HG2  VAL  27          3HG2      VAL  27  -4.533  -4.731   5.055
  186    H    ARG  28           H        ARG  28  -6.405  -0.775   4.859
  187    HA   ARG  28           HA       ARG  28  -7.117   0.945   7.100
  188   1HB   ARG  28          1HB       ARG  28  -4.810   1.689   5.902
  189   2HB   ARG  28          2HB       ARG  28  -5.924   2.452   4.773
  190   1HG   ARG  28          1HG       ARG  28  -6.980   3.623   6.786
  191   2HG   ARG  28          2HG       ARG  28  -5.765   2.850   7.807
  192   1HD   ARG  28          1HD       ARG  28  -5.145   4.737   5.482
  193   2HD   ARG  28          2HD       ARG  28  -5.231   5.202   7.175
  194    HE   ARG  28           HE       ARG  28  -3.274   4.104   7.699
  195   1HH1  ARG  28          1HH1      ARG  28  -4.005   3.596   4.247
  196   2HH1  ARG  28          2HH1      ARG  28  -2.394   3.047   3.874
  197   1HH2  ARG  28          1HH2      ARG  28  -1.196   3.339   7.183
  198   2HH2  ARG  28          2HH2      ARG  28  -0.813   2.864   5.547
  199    H    GLU  29           H        GLU  29  -8.096   3.095   5.312
  200    HA   GLU  29           HA       GLU  29 -10.352   1.807   4.029
  201   1HB   GLU  29          1HB       GLU  29 -10.022   4.179   5.302
  202   2HB   GLU  29          2HB       GLU  29  -9.612   4.716   3.682
  203   1HG   GLU  29          1HG       GLU  29 -11.930   5.083   4.041
  204   2HG   GLU  29          2HG       GLU  29 -11.847   3.689   2.942
  205    HE2  GLU  29           HE2      GLU  29 -13.448   1.546   5.160
  206    H    LYS  30           H        LYS  30 -10.280   3.778   1.761
  207    HA   LYS  30           HA       LYS  30  -9.376   1.963  -0.137
  208   1HB   LYS  30          1HB       LYS  30  -9.628   4.932  -0.590
  209   2HB   LYS  30          2HB       LYS  30  -9.807   3.643  -1.771
  210   1HG   LYS  30          1HG       LYS  30 -12.023   3.681  -1.449
  211   2HG   LYS  30          2HG       LYS  30 -11.731   2.956   0.122
  212   1HD   LYS  30          1HD       LYS  30 -13.020   4.794   0.678
  213   2HD   LYS  30          2HD       LYS  30 -11.405   5.451   0.949
  214   1HE   LYS  30          1HE       LYS  30 -13.148   5.825  -1.545
  215   2HE   LYS  30          2HE       LYS  30 -12.906   7.021  -0.264
  216   1HZ   LYS  30          1HZ       LYS  30 -10.617   7.145  -0.849
  217   2HZ   LYS  30          2HZ       LYS  30 -10.786   5.980  -2.004
  218   3HZ   LYS  30          3HZ       LYS  30 -11.542   7.431  -2.184
  219    H    CYS  31           H        CYS  31  -7.776   2.230  -1.830
  220    HA   CYS  31           HA       CYS  31  -5.179   2.514  -0.692
  221   1HB   CYS  31          1HB       CYS  31  -6.024   2.060  -3.570
  222   2HB   CYS  31          2HB       CYS  31  -4.435   1.809  -2.875
  223    H    HIS  32           H        HIS  32  -3.402   3.690  -1.869
  224    HA   HIS  32           HA       HIS  32  -4.109   6.469  -1.712
  225   1HB   HIS  32          1HB       HIS  32  -1.761   6.917  -1.821
  226   2HB   HIS  32          2HB       HIS  32  -2.130   5.709  -0.645
  227    HD1  HIS  32           HD1      HIS  32  -0.168   6.288  -3.806
  228    HD2  HIS  32           HD2      HIS  32  -1.134   3.142  -1.193
  229    HE1  HIS  32           HE1      HIS  32   1.368   4.339  -4.386
  230    HE2  HIS  32           HE2      HIS  32   0.801   2.404  -2.797
  231    H    SER  33           H        SER  33  -3.035   8.025  -3.123
  232    HA   SER  33           HA       SER  33  -4.455   8.124  -5.519
  233   1HB   SER  33          1HB       SER  33  -3.718  10.075  -4.240
  234   2HB   SER  33          2HB       SER  33  -2.044   9.758  -4.740
  235    HG   SER  33           HG       SER  33  -2.854   9.970  -6.938
  236    H    ALA  34           H        ALA  34  -1.337   6.712  -4.991
  237    HA   ALA  34           HA       ALA  34  -0.916   6.379  -7.936
  238   1HB   ALA  34          1HB       ALA  34   0.746   7.909  -6.773
  239   2HB   ALA  34          2HB       ALA  34   1.244   6.502  -5.805
  240   3HB   ALA  34          3HB       ALA  34   1.461   6.491  -7.566
  241    H    CYS  35           H        CYS  35  -2.453   4.658  -6.098
  242    HA   CYS  35           HA       CYS  35  -0.802   2.200  -6.015
  243   1HB   CYS  35          1HB       CYS  35  -2.369   2.762  -4.136
  244   2HB   CYS  35          2HB       CYS  35  -3.714   2.570  -5.269
  245    H    LYS  36           H        LYS  36  -1.057   0.553  -7.525
  246    HA   LYS  36           HA       LYS  36  -2.639   1.158  -9.954
  247   1HB   LYS  36          1HB       LYS  36  -0.300  -0.724  -9.420
  248   2HB   LYS  36          2HB       LYS  36  -1.130  -0.493 -10.960
  249   1HG   LYS  36          1HG       LYS  36  -0.492   1.963 -10.855
  250   2HG   LYS  36          2HG       LYS  36   0.507   1.573  -9.436
  251   1HD   LYS  36          1HD       LYS  36   1.712  -0.149 -10.834
  252   2HD   LYS  36          2HD       LYS  36   0.753   0.371 -12.234
  253   1HE   LYS  36          1HE       LYS  36   1.686   2.688 -11.963
  254   2HE   LYS  36          2HE       LYS  36   2.708   2.090 -10.640
  255   1HZ   LYS  36          1HZ       LYS  36   3.718   0.581 -12.204
  256   2HZ   LYS  36          2HZ       LYS  36   2.767   1.148 -13.424
  257   3HZ   LYS  36          3HZ       LYS  36   3.874   2.140 -12.715
  258    H    SER  37           H        SER  37  -1.770  -1.560  -7.814
  259    HA   SER  37           HA       SER  37  -4.316  -2.968  -8.539
  260   1HB   SER  37          1HB       SER  37  -2.275  -4.269  -8.984
  261   2HB   SER  37          2HB       SER  37  -1.778  -4.085  -7.291
  262    HG   SER  37           HG       SER  37  -4.143  -5.326  -8.269
  263    H    CYS  38           H        CYS  38  -5.822  -2.732  -7.065
  264    HA   CYS  38           HA       CYS  38  -5.168  -2.354  -4.168
  265   1HB   CYS  38          1HB       CYS  38  -5.859  -0.220  -5.239
  266   2HB   CYS  38          2HB       CYS  38  -7.349  -0.995  -5.792
  267    H    LEU  39           H        LEU  39  -6.421  -3.596  -2.792
  268    HA   LEU  39           HA       LEU  39  -8.784  -4.998  -3.855
  269   1HB   LEU  39          1HB       LEU  39  -6.599  -6.437  -4.201
  270   2HB   LEU  39          2HB       LEU  39  -6.635  -6.590  -2.442
  271    HG   LEU  39           HG       LEU  39  -8.948  -7.597  -2.630
  272   1HD1  LEU  39          1HD1      LEU  39  -8.214  -7.650  -5.597
  273   2HD1  LEU  39          2HD1      LEU  39  -9.540  -8.567  -4.856
  274   3HD1  LEU  39          3HD1      LEU  39  -9.603  -6.802  -4.882
  275   1HD2  LEU  39          1HD2      LEU  39  -6.674  -9.019  -4.064
  276   2HD2  LEU  39          2HD2      LEU  39  -6.913  -8.945  -2.305
  277   3HD2  LEU  39          3HD2      LEU  39  -8.092  -9.787  -3.321
  278    H    CYS  40           H        CYS  40 -10.154  -5.823  -2.183
  279    HA   CYS  40           HA       CYS  40  -9.534  -4.902   0.562
  280   1HB   CYS  40          1HB       CYS  40 -12.257  -4.672  -0.738
  281   2HB   CYS  40          2HB       CYS  40 -11.740  -3.943   0.771
  282    H    THR  41           H        THR  41 -10.798  -5.941   2.203
  283    HA   THR  41           HA       THR  41 -11.110  -8.813   1.507
  284    HB   THR  41           HB       THR  41  -9.629  -8.272   3.377
  285    HG1  THR  41           HG1      THR  41 -10.985  -9.661   4.887
  286   1HG2  THR  41          1HG2      THR  41 -12.152  -7.274   4.777
  287   2HG2  THR  41          2HG2      THR  41 -10.579  -7.570   5.541
  288   3HG2  THR  41          3HG2      THR  41 -10.742  -6.296   4.326
  289    H    ARG  42           H        ARG  42 -12.944 -10.008   2.149
  290    HA   ARG  42           HA       ARG  42 -15.479  -8.508   2.111
  291   1HB   ARG  42          1HB       ARG  42 -16.493 -10.645   1.671
  292   2HB   ARG  42          2HB       ARG  42 -15.201 -10.297   0.516
  293   1HG   ARG  42          1HG       ARG  42 -13.695 -11.828   1.699
  294   2HG   ARG  42          2HG       ARG  42 -14.951 -12.152   2.922
  295   1HD   ARG  42          1HD       ARG  42 -16.417 -13.109   1.218
  296   2HD   ARG  42          2HD       ARG  42 -15.278 -12.639  -0.065
  297    HE   ARG  42           HE       ARG  42 -13.960 -14.307   1.846
  298   1HH1  ARG  42          1HH1      ARG  42 -16.349 -14.471  -0.777
  299   2HH1  ARG  42          2HH1      ARG  42 -15.937 -16.106  -1.225
  300   1HH2  ARG  42          1HH2      ARG  42 -13.429 -16.459   1.248
  301   2HH2  ARG  42          2HH2      ARG  42 -14.272 -17.243  -0.063
  302    H    SER  43           H        SER  43 -13.444  -8.964   4.558
  303    HA   SER  43           HA       SER  43 -14.987 -10.255   6.536
  304   1HB   SER  43          1HB       SER  43 -12.955  -8.021   6.879
  305   2HB   SER  43          2HB       SER  43 -13.416  -9.250   8.057
  306    HG   SER  43           HG       SER  43 -11.499  -9.853   7.057
  307    H    PHE  44           H        PHE  44 -15.638  -8.884   8.547
  308    HA   PHE  44           HA       PHE  44 -17.157  -6.451   7.739
  309   1HB   PHE  44          1HB       PHE  44 -18.678  -8.326   7.926
  310   2HB   PHE  44          2HB       PHE  44 -18.135  -8.639   9.572
  311    HD1  PHE  44           HD1      PHE  44 -18.943  -7.270  11.428
  312    HD2  PHE  44           HD2      PHE  44 -19.837  -6.165   7.354
  313    HE1  PHE  44           HE1      PHE  44 -20.543  -5.560  12.238
  314    HE2  PHE  44           HE2      PHE  44 -21.435  -4.455   8.173
  315    HZ   PHE  44           HZ       PHE  44 -21.791  -4.149  10.615
  316    HA   PRO  45           HA       PRO  45 -17.052  -4.355   8.221
  317   1HB   PRO  45          1HB       PRO  45 -15.289  -2.301   8.484
  318   2HB   PRO  45          2HB       PRO  45 -16.673  -2.565   9.578
  319   1HG   PRO  45          1HG       PRO  45 -13.806  -3.458  10.030
  320   2HG   PRO  45          2HG       PRO  45 -14.848  -2.521  11.142
  321   1HD   PRO  45          1HD       PRO  45 -14.601  -5.217  11.365
  322   2HD   PRO  45          2HD       PRO  45 -16.194  -4.440  11.598
  323    HA   PRO  46           HA       PRO  46 -13.843  -5.520   5.184
  324   1HB   PRO  46          1HB       PRO  46 -14.764  -4.290   2.971
  325   2HB   PRO  46          2HB       PRO  46 -15.695  -5.593   3.761
  326   1HG   PRO  46          1HG       PRO  46 -16.113  -2.606   4.053
  327   2HG   PRO  46          2HG       PRO  46 -17.336  -3.863   3.729
  328   1HD   PRO  46          1HD       PRO  46 -16.805  -2.896   6.260
  329   2HD   PRO  46          2HD       PRO  46 -17.337  -4.577   5.949
  330    H    GLN  47           H        GLN  47 -11.785  -4.689   5.069
  331    HA   GLN  47           HA       GLN  47 -11.371  -1.740   4.808
  332   1HB   GLN  47          1HB       GLN  47  -9.746  -3.930   6.168
  333   2HB   GLN  47          2HB       GLN  47  -9.067  -2.394   5.649
  334   1HG   GLN  47          1HG       GLN  47  -9.606  -2.212   7.988
  335   2HG   GLN  47          2HG       GLN  47 -10.654  -1.138   7.052
  336   1HE2  GLN  47          1HE2      GLN  47 -10.584  -4.558   8.247
  337   2HE2  GLN  47          2HE2      GLN  47 -12.288  -4.614   8.663
  338    H    CYS  48           H        CYS  48  -9.555  -1.140   3.484
  339    HA   CYS  48           HA       CYS  48  -9.048  -3.006   1.231
  340   1HB   CYS  48          1HB       CYS  48  -9.365  -0.018   1.343
  341   2HB   CYS  48          2HB       CYS  48  -8.781  -0.888  -0.069
  342    H    ARG  49           H        ARG  49  -7.017  -2.746   0.148
  343    HA   ARG  49           HA       ARG  49  -4.763  -1.568   1.597
  344   1HB   ARG  49          1HB       ARG  49  -5.123  -3.587   2.825
  345   2HB   ARG  49          2HB       ARG  49  -5.214  -4.555   1.349
  346   1HG   ARG  49          1HG       ARG  49  -2.683  -3.039   2.041
  347   2HG   ARG  49          2HG       ARG  49  -3.078  -4.525   2.905
  348   1HD   ARG  49          1HD       ARG  49  -2.629  -4.289  -0.083
  349   2HD   ARG  49          2HD       ARG  49  -1.572  -5.014   1.101
  350    HE   ARG  49           HE       ARG  49  -3.030  -6.827   1.427
  351   1HH1  ARG  49          1HH1      ARG  49  -4.217  -4.707  -1.194
  352   2HH1  ARG  49          2HH1      ARG  49  -4.841  -6.036  -2.121
  353   1HH2  ARG  49          1HH2      ARG  49  -4.064  -8.505   0.272
  354   2HH2  ARG  49          2HH2      ARG  49  -4.895  -8.163  -1.224
  355    H    CYS  50           H        CYS  50  -2.975  -1.464   0.362
  356    HA   CYS  50           HA       CYS  50  -3.493  -1.507  -2.566
  357   1HB   CYS  50          1HB       CYS  50  -2.767   0.624  -1.595
  358   2HB   CYS  50          2HB       CYS  50  -1.295  -0.145  -0.991
  359    H    TYR  51           H        TYR  51  -2.710  -3.036  -3.800
  360    HA   TYR  51           HA       TYR  51  -0.731  -4.966  -2.738
  361   1HB   TYR  51          1HB       TYR  51  -3.149  -5.520  -3.575
  362   2HB   TYR  51          2HB       TYR  51  -2.527  -5.209  -5.169
  363    HD1  TYR  51           HD1      TYR  51  -1.732  -7.207  -2.076
  364    HD2  TYR  51           HD2      TYR  51  -1.628  -7.047  -6.385
  365    HE1  TYR  51           HE1      TYR  51  -0.906  -9.540  -2.143
  366    HE2  TYR  51           HE2      TYR  51  -0.764  -9.365  -6.447
  367    HH   TYR  51           HH       TYR  51  -0.175 -11.274  -3.473
  368    H    ASP  52           H        ASP  52  -0.563  -2.204  -4.552
  369    HA   ASP  52           HA       ASP  52   0.762  -2.929  -6.923
  370   1HB   ASP  52          1HB       ASP  52  -0.139  -0.703  -6.431
  371   2HB   ASP  52          2HB       ASP  52   1.061  -0.467  -5.154
  372    HD2  ASP  52           HD2      ASP  52   2.894  -0.738  -8.729
  373    H    ILE  53           H        ILE  53   2.755  -3.704  -7.301
  374    HA   ILE  53           HA       ILE  53   4.707  -3.961  -5.064
  375    HB   ILE  53           HB       ILE  53   4.547  -5.483  -7.695
  376   1HG1  ILE  53          1HG1      ILE  53   2.548  -6.069  -6.475
  377   2HG1  ILE  53          2HG1      ILE  53   3.690  -7.404  -6.464
  378   1HG2  ILE  53          1HG2      ILE  53   6.074  -7.068  -6.506
  379   2HG2  ILE  53          2HG2      ILE  53   6.783  -5.469  -6.765
  380   3HG2  ILE  53          3HG2      ILE  53   6.175  -5.909  -5.161
  381   1HD1  ILE  53          1HD1      ILE  53   3.256  -5.482  -4.132
  382   2HD1  ILE  53          2HD1      ILE  53   2.597  -7.119  -4.277
  383   3HD1  ILE  53          3HD1      ILE  53   4.349  -6.891  -4.159
  384    H    THR  54           H        THR  54   6.586  -2.825  -5.237
  385    HA   THR  54           HA       THR  54   7.547  -1.961  -7.897
  386    HB   THR  54           HB       THR  54   8.075   0.319  -6.779
  387    HG1  THR  54           HG1      THR  54   7.391  -0.261  -4.685
  388   1HG2  THR  54          1HG2      THR  54   6.474   0.108  -8.629
  389   2HG2  THR  54          2HG2      THR  54   5.175  -0.294  -7.475
  390   3HG2  THR  54          3HG2      THR  54   5.936   1.307  -7.433
  391    H    ASP  55           H        ASP  55   9.774  -1.461  -7.930
  392    HA   ASP  55           HA       ASP  55  11.439  -2.911  -6.113
  393   1HB   ASP  55          1HB       ASP  55  12.080  -0.685  -8.094
  394   2HB   ASP  55          2HB       ASP  55  13.266  -1.720  -7.293
  395    HD2  ASP  55           HD2      ASP  55  12.595  -4.517  -9.312
  396    H    PHE  56           H        PHE  56  10.410   0.454  -6.345
  397    HA   PHE  56           HA       PHE  56  11.906   1.259  -3.904
  398   1HB   PHE  56          1HB       PHE  56  11.022   3.509  -4.422
  399   2HB   PHE  56          2HB       PHE  56  11.965   2.827  -5.709
  400    HD1  PHE  56           HD1      PHE  56  10.904   2.183  -7.867
  401    HD2  PHE  56           HD2      PHE  56   8.589   3.890  -4.649
  402    HE1  PHE  56           HE1      PHE  56   9.028   2.604  -9.431
  403    HE2  PHE  56           HE2      PHE  56   6.725   4.310  -6.219
  404    HZ   PHE  56           HZ       PHE  56   6.937   3.672  -8.612
  405    H    CYS  57           H        CYS  57  10.382   2.843  -2.579
  406    HA   CYS  57           HA       CYS  57   7.586   2.139  -2.565
  407   1HB   CYS  57          1HB       CYS  57   8.645   0.437  -1.045
  408   2HB   CYS  57          2HB       CYS  57   9.079   1.749   0.059
  409    H    TYR  58           H        TYR  58   6.312   3.665  -1.436
  410    HA   TYR  58           HA       TYR  58   7.383   6.341  -1.359
  411   1HB   TYR  58          1HB       TYR  58   4.687   5.156  -0.571
  412   2HB   TYR  58          2HB       TYR  58   5.047   6.867  -0.705
  413    HD1  TYR  58           HD1      TYR  58   5.434   7.946  -2.896
  414    HD2  TYR  58           HD2      TYR  58   4.358   3.779  -2.591
  415    HE1  TYR  58           HE1      TYR  58   4.899   7.903  -5.318
  416    HE2  TYR  58           HE2      TYR  58   3.880   3.725  -5.017
  417    HH   TYR  58           HH       TYR  58   3.779   4.925  -6.971
  418    HA   PRO  59           HA       PRO  59   8.429   6.322   2.958
  419   1HB   PRO  59          1HB       PRO  59   8.191   8.942   3.701
  420   2HB   PRO  59          2HB       PRO  59   9.397   8.381   2.512
  421   1HG   PRO  59          1HG       PRO  59   6.655   9.543   1.940
  422   2HG   PRO  59          2HG       PRO  59   8.224  10.078   1.263
  423   1HD   PRO  59          1HD       PRO  59   6.608   8.373  -0.085
  424   2HD   PRO  59          2HD       PRO  59   8.378   8.137  -0.107
  425    H    SER  60           H        SER  60   7.546   7.311   5.204
  426    HA   SER  60           HA       SER  60   5.288   5.863   5.811
  427   1HB   SER  60          1HB       SER  60   5.399   7.607   7.866
  428   2HB   SER  60          2HB       SER  60   6.410   6.174   7.673
  429    HG   SER  60           HG       SER  60   7.575   8.159   8.121
  430    H    CYS  61           H        CYS  61   3.218   6.235   5.988
  431    HA   CYS  61           HA       CYS  61   2.078   8.707   4.888
  432   1HB   CYS  61          1HB       CYS  61   1.395   6.075   4.642
  433   2HB   CYS  61          2HB       CYS  61   0.305   6.511   5.930
  434    H    SER  62           H        SER  62   0.009   9.383   5.910
  435    HA   SER  62           HA       SER  62  -1.137   9.766   8.100
  436   1HB   SER  62          1HB       SER  62   0.704   9.363   9.597
  437   2HB   SER  62          2HB       SER  62   1.669  10.676   8.866
  438    HG   SER  62           HG       SER  62   0.001  12.089   9.531
  Start of MODEL    8
    1   1H    THR   1          1H        THR   1   5.356  23.197  -8.849
    2   2H    THR   1          2H        THR   1   3.714  23.006  -8.938
    3   3H    THR   1          3H        THR   1   4.470  22.953  -7.476
    4    HA   THR   1           HA       THR   1   4.892  21.016  -9.615
    5    HB   THR   1           HB       THR   1   5.993  19.711  -7.798
    6    HG1  THR   1           HG1      THR   1   6.592  20.933  -5.937
    7   1HG2  THR   1          1HG2      THR   1   7.333  21.051  -9.408
    8   2HG2  THR   1          2HG2      THR   1   7.279  22.435  -8.294
    9   3HG2  THR   1          3HG2      THR   1   8.095  20.940  -7.812
   10    H    LYS   2           H        LYS   2   4.178  18.750  -8.754
   11    HA   LYS   2           HA       LYS   2   1.315  18.914  -8.461
   12   1HB   LYS   2          1HB       LYS   2   3.224  16.552  -8.462
   13   2HB   LYS   2          2HB       LYS   2   1.452  16.447  -8.533
   14   1HG   LYS   2          1HG       LYS   2   1.498  17.854 -10.616
   15   2HG   LYS   2          2HG       LYS   2   3.267  17.757 -10.615
   16   1HD   LYS   2          1HD       LYS   2   1.342  15.391 -10.754
   17   2HD   LYS   2          2HD       LYS   2   2.202  16.111 -12.126
   18   1HE   LYS   2          1HE       LYS   2   4.386  15.539 -11.016
   19   2HE   LYS   2          2HE       LYS   2   3.483  14.701  -9.737
   20   1HZ   LYS   2          1HZ       LYS   2   3.421  14.022 -12.585
   21   2HZ   LYS   2          2HZ       LYS   2   4.223  13.201 -11.404
   22   3HZ   LYS   2          3HZ       LYS   2   2.578  13.258 -11.393
   23    H    SER   3           H        SER   3   0.731  19.754  -6.494
   24    HA   SER   3           HA       SER   3   1.630  18.383  -3.994
   25   1HB   SER   3          1HB       SER   3   1.078  20.534  -2.923
   26   2HB   SER   3          2HB       SER   3   2.318  20.711  -4.180
   27    HG   SER   3           HG       SER   3  -0.451  21.210  -4.513
   28    H    THR   4           H        THR   4  -0.007  16.697  -4.569
   29    HA   THR   4           HA       THR   4  -2.463  17.240  -3.136
   30    HB   THR   4           HB       THR   4  -3.027  17.986  -5.462
   31    HG1  THR   4           HG1      THR   4  -4.561  17.086  -4.029
   32   1HG2  THR   4          1HG2      THR   4  -1.557  16.337  -6.686
   33   2HG2  THR   4          2HG2      THR   4  -2.712  15.057  -6.250
   34   3HG2  THR   4          3HG2      THR   4  -3.228  16.409  -7.274
   35    H    THR   5           H        THR   5  -3.771  15.163  -3.065
   36    HA   THR   5           HA       THR   5  -3.283  13.243  -1.627
   37    HB   THR   5           HB       THR   5  -4.301  11.529  -3.087
   38    HG1  THR   5           HG1      THR   5  -3.240  12.252  -5.013
   39   1HG2  THR   5          1HG2      THR   5  -5.714  13.197  -1.923
   40   2HG2  THR   5          2HG2      THR   5  -5.632  14.258  -3.349
   41   3HG2  THR   5          3HG2      THR   5  -6.414  12.672  -3.465
   42    H    THR   6           H        THR   6  -1.081  13.047  -1.084
   43    HA   THR   6           HA       THR   6   0.845  12.006  -2.965
   44    HB   THR   6           HB       THR   6   2.314  12.038  -0.964
   45    HG1  THR   6           HG1      THR   6   0.663  11.672   0.591
   46   1HG2  THR   6          1HG2      THR   6   0.743  14.625  -1.354
   47   2HG2  THR   6          2HG2      THR   6   2.406  14.455  -0.758
   48   3HG2  THR   6          3HG2      THR   6   2.024  14.034  -2.439
   49    H    ALA   7           H        ALA   7   1.916  10.038  -2.907
   50    HA   ALA   7           HA       ALA   7   0.482   7.666  -2.136
   51   1HB   ALA   7          1HB       ALA   7   2.112   7.718  -3.985
   52   2HB   ALA   7          2HB       ALA   7   3.412   8.140  -2.849
   53   3HB   ALA   7          3HB       ALA   7   2.626   6.559  -2.728
   54    H    CYS   8           H        CYS   8   0.574   6.509  -0.220
   55    HA   CYS   8           HA       CYS   8   2.935   6.646   1.401
   56   1HB   CYS   8          1HB       CYS   8   1.885   7.286   3.492
   57   2HB   CYS   8          2HB       CYS   8   1.985   8.586   2.356
   58    H    CYS   9           H        CYS   9   2.790   5.348   3.291
   59    HA   CYS   9           HA       CYS   9   0.939   3.134   3.529
   60   1HB   CYS   9          1HB       CYS   9   1.999   2.403   1.494
   61   2HB   CYS   9          2HB       CYS   9   3.600   2.853   2.105
   62    H    ASP  10           H        ASP  10   1.605   1.768   5.346
   63    HA   ASP  10           HA       ASP  10   3.593   3.088   7.153
   64   1HB   ASP  10          1HB       ASP  10   1.304   2.965   8.003
   65   2HB   ASP  10          2HB       ASP  10   1.259   1.218   7.739
   66    HD2  ASP  10           HD2      ASP  10   2.022   1.255  11.163
   67    H    PHE  11           H        PHE  11   2.305  -0.263   6.638
   68    HA   PHE  11           HA       PHE  11   4.947  -1.402   7.188
   69   1HB   PHE  11          1HB       PHE  11   2.434  -2.776   6.285
   70   2HB   PHE  11          2HB       PHE  11   3.816  -3.491   7.120
   71    HD1  PHE  11           HD1      PHE  11   4.105  -1.386   9.360
   72    HD2  PHE  11           HD2      PHE  11   0.662  -3.411   7.716
   73    HE1  PHE  11           HE1      PHE  11   2.888  -1.054  11.478
   74    HE2  PHE  11           HE2      PHE  11  -0.561  -3.035   9.826
   75    HZ   PHE  11           HZ       PHE  11   0.539  -1.842  11.713
   76    H    CYS  12           H        CYS  12   6.301  -0.959   5.529
   77    HA   CYS  12           HA       CYS  12   5.547  -1.860   2.774
   78   1HB   CYS  12          1HB       CYS  12   5.883   0.577   2.928
   79   2HB   CYS  12          2HB       CYS  12   7.548   0.310   3.428
   80    HA   PRO  13           HA       PRO  13   9.147  -4.506   3.945
   81   1HB   PRO  13          1HB       PRO  13   8.112  -6.951   3.364
   82   2HB   PRO  13          2HB       PRO  13   7.812  -6.134   4.925
   83   1HG   PRO  13          1HG       PRO  13   6.008  -6.187   2.497
   84   2HG   PRO  13          2HG       PRO  13   5.568  -6.527   4.196
   85   1HD   PRO  13          1HD       PRO  13   5.181  -4.079   3.042
   86   2HD   PRO  13          2HD       PRO  13   5.627  -4.243   4.767
   87    H    CYS  14           H        CYS  14  10.454  -5.672   2.413
   88    HA   CYS  14           HA       CYS  14   9.613  -5.676  -0.405
   89   1HB   CYS  14          1HB       CYS  14  12.360  -4.784   0.553
   90   2HB   CYS  14          2HB       CYS  14  11.770  -4.813  -1.100
   91    H    THR  15           H        THR  15  10.834  -7.193  -1.675
   92    HA   THR  15           HA       THR  15  11.413  -9.627  -0.191
   93    HB   THR  15           HB       THR  15  11.665 -10.595  -2.424
   94    HG1  THR  15           HG1      THR  15  11.718  -9.380  -4.197
   95   1HG2  THR  15          1HG2      THR  15   9.260  -8.707  -2.347
   96   2HG2  THR  15          2HG2      THR  15   9.413 -10.201  -3.289
   97   3HG2  THR  15          3HG2      THR  15   9.363 -10.272  -1.518
   98    H    ARG  16           H        ARG  16  13.388 -10.885  -0.886
   99    HA   ARG  16           HA       ARG  16  15.836  -9.183  -0.725
  100   1HB   ARG  16          1HB       ARG  16  16.862 -11.056   0.350
  101   2HB   ARG  16          2HB       ARG  16  15.389 -10.568   1.212
  102   1HG   ARG  16          1HG       ARG  16  14.160 -12.464   0.159
  103   2HG   ARG  16          2HG       ARG  16  15.649 -12.959  -0.675
  104   1HD   ARG  16          1HD       ARG  16  16.756 -13.332   1.486
  105   2HD   ARG  16          2HD       ARG  16  15.310 -12.748   2.343
  106    HE   ARG  16           HE       ARG  16  14.595 -14.881   0.584
  107   1HH1  ARG  16          1HH1      ARG  16  16.279 -14.319   3.659
  108   2HH1  ARG  16          2HH1      ARG  16  15.925 -15.907   4.288
  109   1HH2  ARG  16          1HH2      ARG  16  14.138 -16.956   1.416
  110   2HH2  ARG  16          2HH2      ARG  16  14.699 -17.419   3.001
  111    H    SER  17           H        SER  17  14.144 -10.500  -3.095
  112    HA   SER  17           HA       SER  17  15.990 -12.223  -4.466
  113   1HB   SER  17          1HB       SER  17  14.277 -11.753  -6.344
  114   2HB   SER  17          2HB       SER  17  13.683 -12.512  -4.874
  115    HG   SER  17           HG       SER  17  12.429 -10.689  -5.655
  116    H    ILE  18           H        ILE  18  16.307 -11.586  -6.877
  117    HA   ILE  18           HA       ILE  18  17.668  -8.960  -7.065
  118    HB   ILE  18           HB       ILE  18  19.236 -10.653  -6.535
  119   1HG1  ILE  18          1HG1      ILE  18  20.808 -10.492  -8.431
  120   2HG1  ILE  18          2HG1      ILE  18  19.519  -9.888  -9.477
  121   1HG2  ILE  18          1HG2      ILE  18  18.638 -12.222  -9.056
  122   2HG2  ILE  18          2HG2      ILE  18  19.767 -12.591  -7.756
  123   3HG2  ILE  18          3HG2      ILE  18  18.033 -12.674  -7.446
  124   1HD1  ILE  18          1HD1      ILE  18  19.348  -7.845  -8.147
  125   2HD1  ILE  18          2HD1      ILE  18  20.440  -8.514  -6.908
  126   3HD1  ILE  18          3HD1      ILE  18  21.052  -8.127  -8.528
  127    HA   PRO  19           HA       PRO  19  17.007  -7.153  -7.946
  128   1HB   PRO  19          1HB       PRO  19  15.050  -5.562  -8.849
  129   2HB   PRO  19          2HB       PRO  19  16.479  -5.963  -9.844
  130   1HG   PRO  19          1HG       PRO  19  13.752  -7.294  -9.934
  131   2HG   PRO  19          2HG       PRO  19  14.687  -6.628 -11.308
  132   1HD   PRO  19          1HD       PRO  19  14.774  -9.279 -10.635
  133   2HD   PRO  19          2HD       PRO  19  16.226  -8.431 -11.238
  134    HA   PRO  20           HA       PRO  20  13.736  -7.942  -4.897
  135   1HB   PRO  20          1HB       PRO  20  14.125  -5.948  -3.118
  136   2HB   PRO  20          2HB       PRO  20  15.349  -7.223  -3.372
  137   1HG   PRO  20          1HG       PRO  20  15.306  -4.444  -4.581
  138   2HG   PRO  20          2HG       PRO  20  16.669  -5.274  -3.777
  139   1HD   PRO  20          1HD       PRO  20  16.320  -5.233  -6.520
  140   2HD   PRO  20          2HD       PRO  20  17.093  -6.599  -5.661
  141    H    GLN  21           H        GLN  21  11.592  -7.359  -4.702
  142    HA   GLN  21           HA       GLN  21  10.632  -4.813  -5.915
  143   1HB   GLN  21          1HB       GLN  21   8.450  -6.126  -5.807
  144   2HB   GLN  21          2HB       GLN  21   9.536  -6.408  -7.158
  145   1HG   GLN  21          1HG       GLN  21   9.254  -8.177  -4.690
  146   2HG   GLN  21          2HG       GLN  21   8.381  -8.419  -6.199
  147   1HE2  GLN  21          1HE2      GLN  21  11.069  -7.512  -7.649
  148   2HE2  GLN  21          2HE2      GLN  21  12.018  -8.975  -7.604
  149    H    CYS  22           H        CYS  22   9.375  -3.525  -4.681
  150    HA   CYS  22           HA       CYS  22   9.033  -4.183  -1.797
  151   1HB   CYS  22          1HB       CYS  22   9.260  -1.585  -3.266
  152   2HB   CYS  22          2HB       CYS  22   8.759  -1.699  -1.580
  153    H    GLN  23           H        GLN  23   7.108  -3.895  -0.862
  154    HA   GLN  23           HA       GLN  23   4.690  -3.356  -2.467
  155   1HB   GLN  23          1HB       GLN  23   3.759  -5.483  -1.736
  156   2HB   GLN  23          2HB       GLN  23   5.229  -5.782  -2.671
  157   1HG   GLN  23          1HG       GLN  23   6.483  -6.038  -0.490
  158   2HG   GLN  23          2HG       GLN  23   4.941  -5.885   0.372
  159   1HE2  GLN  23          1HE2      GLN  23   3.150  -7.456  -0.587
  160   2HE2  GLN  23          2HE2      GLN  23   3.704  -9.097  -0.847
  161    H    CYS  24           H        CYS  24   2.753  -3.746  -0.759
  162    HA   CYS  24           HA       CYS  24   3.584  -2.840   1.928
  163   1HB   CYS  24          1HB       CYS  24   1.761  -1.377   0.034
  164   2HB   CYS  24          2HB       CYS  24   1.465  -1.319   1.775
  165    H    THR  25           H        THR  25   2.353  -3.398   3.583
  166    HA   THR  25           HA       THR  25   0.087  -5.291   3.100
  167    HB   THR  25           HB       THR  25   0.854  -6.507   5.083
  168    HG1  THR  25           HG1      THR  25   1.939  -4.906   6.184
  169   1HG2  THR  25          1HG2      THR  25   2.842  -7.556   4.157
  170   2HG2  THR  25          2HG2      THR  25   1.688  -7.207   2.852
  171   3HG2  THR  25          3HG2      THR  25   3.126  -6.183   3.073
  172    H    ASP  26           H        ASP  26   0.422  -2.236   3.729
  173    HA   ASP  26           HA       ASP  26  -0.901  -1.937   6.271
  174   1HB   ASP  26          1HB       ASP  26   0.605  -0.277   5.255
  175   2HB   ASP  26          2HB       ASP  26  -0.580   0.024   3.966
  176    HD2  ASP  26           HD2      ASP  26  -1.103   2.713   6.226
  177    H    VAL  27           H        VAL  27  -3.018  -1.160   6.493
  178    HA   VAL  27           HA       VAL  27  -5.005  -1.920   4.408
  179    HB   VAL  27           HB       VAL  27  -4.931  -3.115   7.211
  180   1HG1  VAL  27          1HG1      VAL  27  -6.921  -3.268   4.912
  181   2HG1  VAL  27          2HG1      VAL  27  -6.856  -4.507   6.183
  182   3HG1  VAL  27          3HG1      VAL  27  -7.217  -2.822   6.594
  183   1HG2  VAL  27          1HG2      VAL  27  -4.679  -5.291   5.974
  184   2HG2  VAL  27          2HG2      VAL  27  -4.381  -4.362   4.490
  185   3HG2  VAL  27          3HG2      VAL  27  -3.271  -4.240   5.867
  186    H    ARG  28           H        ARG  28  -6.296  -0.186   4.245
  187    HA   ARG  28           HA       ARG  28  -7.142   1.340   6.664
  188   1HB   ARG  28          1HB       ARG  28  -5.658   2.549   4.309
  189   2HB   ARG  28          2HB       ARG  28  -6.434   3.443   5.638
  190   1HG   ARG  28          1HG       ARG  28  -4.977   2.427   7.289
  191   2HG   ARG  28          2HG       ARG  28  -4.146   1.497   6.029
  192   1HD   ARG  28          1HD       ARG  28  -2.927   3.476   6.741
  193   2HD   ARG  28          2HD       ARG  28  -3.240   3.414   5.002
  194    HE   ARG  28           HE       ARG  28  -4.373   5.256   7.048
  195   1HH1  ARG  28          1HH1      ARG  28  -4.396   4.292   3.614
  196   2HH1  ARG  28          2HH1      ARG  28  -5.000   5.832   3.070
  197   1HH2  ARG  28          1HH2      ARG  28  -5.133   7.263   6.300
  198   2HH2  ARG  28          2HH2      ARG  28  -5.427   7.521   4.600
  199    H    GLU  29           H        GLU  29  -8.196   3.504   4.978
  200    HA   GLU  29           HA       GLU  29 -10.534   2.233   3.811
  201   1HB   GLU  29          1HB       GLU  29 -10.426   4.464   5.116
  202   2HB   GLU  29          2HB       GLU  29  -9.770   5.172   3.639
  203   1HG   GLU  29          1HG       GLU  29 -11.865   4.061   2.483
  204   2HG   GLU  29          2HG       GLU  29 -12.444   3.784   4.124
  205    HE2  GLU  29           HE2      GLU  29 -12.303   7.562   2.620
  206    H    LYS  30           H        LYS  30 -10.013   4.705   1.671
  207    HA   LYS  30           HA       LYS  30  -9.575   2.919  -0.455
  208   1HB   LYS  30          1HB       LYS  30  -9.268   5.936  -0.412
  209   2HB   LYS  30          2HB       LYS  30  -9.444   4.928  -1.845
  210   1HG   LYS  30          1HG       LYS  30 -11.669   4.166  -1.102
  211   2HG   LYS  30          2HG       LYS  30 -11.557   5.216   0.325
  212   1HD   LYS  30          1HD       LYS  30 -11.368   7.202  -1.104
  213   2HD   LYS  30          2HD       LYS  30 -11.427   6.185  -2.562
  214   1HE   LYS  30          1HE       LYS  30 -13.690   5.401  -1.946
  215   2HE   LYS  30          2HE       LYS  30 -13.636   6.366  -0.458
  216   1HZ   LYS  30          1HZ       LYS  30 -14.834   7.485  -2.161
  217   2HZ   LYS  30          2HZ       LYS  30 -13.456   8.327  -1.831
  218   3HZ   LYS  30          3HZ       LYS  30 -13.557   7.414  -3.200
  219    H    CYS  31           H        CYS  31  -7.940   3.182  -2.143
  220    HA   CYS  31           HA       CYS  31  -5.341   2.678  -0.960
  221   1HB   CYS  31          1HB       CYS  31  -5.971   2.429  -3.881
  222   2HB   CYS  31          2HB       CYS  31  -4.910   1.476  -2.868
  223    H    HIS  32           H        HIS  32  -3.367   3.669  -1.813
  224    HA   HIS  32           HA       HIS  32  -3.803   6.509  -2.244
  225   1HB   HIS  32          1HB       HIS  32  -1.499   6.809  -1.750
  226   2HB   HIS  32          2HB       HIS  32  -2.271   5.846  -0.553
  227    HD1  HIS  32           HD1      HIS  32   0.538   5.798  -3.020
  228    HD2  HIS  32           HD2      HIS  32  -1.473   3.171  -0.437
  229    HE1  HIS  32           HE1      HIS  32   2.013   3.743  -2.759
  230    HE2  HIS  32           HE2      HIS  32   0.827   2.125  -1.159
  231    H    SER  33           H        SER  33  -2.079   7.623  -3.518
  232    HA   SER  33           HA       SER  33  -2.805   7.456  -6.201
  233   1HB   SER  33          1HB       SER  33  -2.088   9.474  -5.055
  234   2HB   SER  33          2HB       SER  33  -0.430   8.843  -4.964
  235    HG   SER  33           HG       SER  33  -0.844  10.292  -6.739
  236    H    ALA  34           H        ALA  34  -0.056   6.015  -4.596
  237    HA   ALA  34           HA       ALA  34   0.992   4.934  -7.205
  238   1HB   ALA  34          1HB       ALA  34   3.160   4.720  -6.153
  239   2HB   ALA  34          2HB       ALA  34   2.599   6.398  -6.035
  240   3HB   ALA  34          3HB       ALA  34   2.519   5.327  -4.617
  241    H    CYS  35           H        CYS  35  -1.241   3.813  -6.133
  242    HA   CYS  35           HA       CYS  35  -0.278   1.082  -5.641
  243   1HB   CYS  35          1HB       CYS  35  -0.646   1.735  -3.434
  244   2HB   CYS  35          2HB       CYS  35  -2.140   2.602  -3.810
  245    H    LYS  36           H        LYS  36  -0.897   0.317  -7.521
  246    HA   LYS  36           HA       LYS  36  -3.272   1.349  -8.925
  247   1HB   LYS  36          1HB       LYS  36  -0.924   1.352  -9.838
  248   2HB   LYS  36          2HB       LYS  36  -0.948  -0.407  -9.845
  249   1HG   LYS  36          1HG       LYS  36  -2.768  -0.478 -11.443
  250   2HG   LYS  36          2HG       LYS  36  -2.964   1.287 -11.373
  251   1HD   LYS  36          1HD       LYS  36  -0.702   1.598 -12.290
  252   2HD   LYS  36          2HD       LYS  36  -0.442  -0.158 -12.308
  253   1HE   LYS  36          1HE       LYS  36  -2.280  -0.436 -13.936
  254   2HE   LYS  36          2HE       LYS  36  -2.615   1.305 -13.878
  255   1HZ   LYS  36          1HZ       LYS  36  -0.420   1.689 -14.744
  256   2HZ   LYS  36          2HZ       LYS  36  -0.131   0.069 -14.837
  257   3HZ   LYS  36          3HZ       LYS  36  -1.308   0.753 -15.766
  258    H    SER  37           H        SER  37  -1.751  -1.579  -7.761
  259    HA   SER  37           HA       SER  37  -4.223  -3.193  -8.277
  260   1HB   SER  37          1HB       SER  37  -2.049  -4.131  -9.037
  261   2HB   SER  37          2HB       SER  37  -1.485  -4.143  -7.357
  262    HG   SER  37           HG       SER  37  -2.390  -6.139  -7.937
  263    H    CYS  38           H        CYS  38  -5.542  -3.492  -6.623
  264    HA   CYS  38           HA       CYS  38  -4.714  -3.339  -3.817
  265   1HB   CYS  38          1HB       CYS  38  -5.062  -0.949  -4.712
  266   2HB   CYS  38          2HB       CYS  38  -6.759  -1.379  -4.927
  267    H    LEU  39           H        LEU  39  -6.258  -4.318  -2.482
  268    HA   LEU  39           HA       LEU  39  -8.772  -5.318  -3.670
  269   1HB   LEU  39          1HB       LEU  39  -7.062  -6.984  -4.271
  270   2HB   LEU  39          2HB       LEU  39  -6.569  -7.104  -2.576
  271    HG   LEU  39           HG       LEU  39  -8.752  -8.094  -1.997
  272   1HD1  LEU  39          1HD1      LEU  39  -9.350  -7.897  -4.987
  273   2HD1  LEU  39          2HD1      LEU  39 -10.299  -8.821  -3.806
  274   3HD1  LEU  39          3HD1      LEU  39 -10.233  -7.062  -3.694
  275   1HD2  LEU  39          1HD2      LEU  39  -7.446  -9.452  -4.394
  276   2HD2  LEU  39          2HD2      LEU  39  -6.833  -9.519  -2.736
  277   3HD2  LEU  39          3HD2      LEU  39  -8.406 -10.239  -3.126
  278    H    CYS  40           H        CYS  40 -10.313  -5.723  -2.170
  279    HA   CYS  40           HA       CYS  40  -9.682  -4.931   0.628
  280   1HB   CYS  40          1HB       CYS  40 -12.368  -4.656  -0.702
  281   2HB   CYS  40          2HB       CYS  40 -11.799  -3.826   0.737
  282    H    THR  41           H        THR  41 -10.935  -5.767   2.306
  283    HA   THR  41           HA       THR  41 -11.258  -8.679   1.887
  284    HB   THR  41           HB       THR  41  -9.785  -7.912   3.680
  285    HG1  THR  41           HG1      THR  41 -10.769  -9.885   3.894
  286   1HG2  THR  41          1HG2      THR  41 -10.728  -7.015   5.765
  287   2HG2  THR  41          2HG2      THR  41 -10.922  -5.876   4.430
  288   3HG2  THR  41          3HG2      THR  41 -12.315  -6.820   4.994
  289    H    ARG  42           H        ARG  42 -13.040  -9.835   2.721
  290    HA   ARG  42           HA       ARG  42 -15.638  -8.449   2.531
  291   1HB   ARG  42          1HB       ARG  42 -16.514 -10.751   2.447
  292   2HB   ARG  42          2HB       ARG  42 -15.389 -10.376   1.137
  293   1HG   ARG  42          1HG       ARG  42 -13.631 -11.641   2.107
  294   2HG   ARG  42          2HG       ARG  42 -14.481 -11.802   3.658
  295   1HD   ARG  42          1HD       ARG  42 -15.465 -12.945   1.006
  296   2HD   ARG  42          2HD       ARG  42 -14.507 -13.870   2.162
  297    HE   ARG  42           HE       ARG  42 -17.332 -13.199   2.312
  298   1HH1  ARG  42          1HH1      ARG  42 -14.500 -14.055   4.281
  299   2HH1  ARG  42          2HH1      ARG  42 -15.452 -14.604   5.635
  300   1HH2  ARG  42          1HH2      ARG  42 -18.564 -13.904   4.108
  301   2HH2  ARG  42          2HH2      ARG  42 -17.770 -14.515   5.535
  302    H    SER  43           H        SER  43 -13.573  -8.502   4.982
  303    HA   SER  43           HA       SER  43 -15.107  -9.663   7.094
  304   1HB   SER  43          1HB       SER  43 -12.907  -7.560   7.233
  305   2HB   SER  43          2HB       SER  43 -13.440  -8.664   8.504
  306    HG   SER  43           HG       SER  43 -12.129  -9.353   6.091
  307    H    PHE  44           H        PHE  44 -15.495  -8.016   9.036
  308    HA   PHE  44           HA       PHE  44 -16.840  -5.548   8.074
  309   1HB   PHE  44          1HB       PHE  44 -18.512  -7.233   8.574
  310   2HB   PHE  44          2HB       PHE  44 -17.838  -7.464  10.184
  311    HD1  PHE  44           HD1      PHE  44 -18.525  -6.049  11.993
  312    HD2  PHE  44           HD2      PHE  44 -19.428  -4.913   7.930
  313    HE1  PHE  44           HE1      PHE  44 -19.958  -4.204  12.823
  314    HE2  PHE  44           HE2      PHE  44 -20.838  -3.052   8.769
  315    HZ   PHE  44           HZ       PHE  44 -21.105  -2.696  11.214
  316    HA   PRO  45           HA       PRO  45 -16.647  -3.438   8.450
  317   1HB   PRO  45          1HB       PRO  45 -14.837  -1.415   8.380
  318   2HB   PRO  45          2HB       PRO  45 -16.068  -1.589   9.664
  319   1HG   PRO  45          1HG       PRO  45 -13.171  -2.469   9.752
  320   2HG   PRO  45          2HG       PRO  45 -14.068  -1.518  10.973
  321   1HD   PRO  45          1HD       PRO  45 -13.744  -4.226  11.201
  322   2HD   PRO  45          2HD       PRO  45 -15.254  -3.426  11.721
  323    HA   PRO  46           HA       PRO  46 -13.885  -4.978   5.188
  324   1HB   PRO  46          1HB       PRO  46 -15.005  -3.869   2.982
  325   2HB   PRO  46          2HB       PRO  46 -15.820  -5.139   3.938
  326   1HG   PRO  46          1HG       PRO  46 -16.279  -2.145   4.100
  327   2HG   PRO  46          2HG       PRO  46 -17.497  -3.443   3.967
  328   1HD   PRO  46          1HD       PRO  46 -16.762  -2.320   6.371
  329   2HD   PRO  46          2HD       PRO  46 -17.242  -4.037   6.222
  330    H    GLN  47           H        GLN  47 -11.837  -4.193   4.997
  331    HA   GLN  47           HA       GLN  47 -11.344  -1.320   4.366
  332   1HB   GLN  47          1HB       GLN  47  -9.838  -3.361   6.056
  333   2HB   GLN  47          2HB       GLN  47  -9.166  -1.809   5.574
  334   1HG   GLN  47          1HG       GLN  47 -11.682  -2.184   7.267
  335   2HG   GLN  47          2HG       GLN  47 -10.068  -1.858   7.898
  336   1HE2  GLN  47          1HE2      GLN  47 -12.771  -0.500   6.010
  337   2HE2  GLN  47          2HE2      GLN  47 -12.262   1.167   6.176
  338    H    CYS  48           H        CYS  48  -9.462  -0.907   3.068
  339    HA   CYS  48           HA       CYS  48  -9.027  -3.072   1.102
  340   1HB   CYS  48          1HB       CYS  48  -8.896  -0.109   0.737
  341   2HB   CYS  48          2HB       CYS  48  -8.579  -1.325  -0.479
  342    H    ARG  49           H        ARG  49  -7.111  -3.545   0.362
  343    HA   ARG  49           HA       ARG  49  -4.755  -2.862   2.050
  344   1HB   ARG  49          1HB       ARG  49  -5.170  -5.535   0.801
  345   2HB   ARG  49          2HB       ARG  49  -4.267  -5.104   2.248
  346   1HG   ARG  49          1HG       ARG  49  -6.498  -4.714   3.389
  347   2HG   ARG  49          2HG       ARG  49  -7.315  -5.287   1.939
  348   1HD   ARG  49          1HD       ARG  49  -5.401  -6.813   3.715
  349   2HD   ARG  49          2HD       ARG  49  -7.142  -7.091   3.555
  350    HE   ARG  49           HE       ARG  49  -5.020  -8.137   1.928
  351   1HH1  ARG  49          1HH1      ARG  49  -8.372  -6.994   1.581
  352   2HH1  ARG  49          2HH1      ARG  49  -8.674  -7.961   0.161
  353   1HH2  ARG  49          1HH2      ARG  49  -5.421  -9.328   0.051
  354   2HH2  ARG  49          2HH2      ARG  49  -6.993  -9.293  -0.707
  355    H    CYS  50           H        CYS  50  -2.911  -2.355   0.764
  356    HA   CYS  50           HA       CYS  50  -3.275  -2.223  -2.122
  357   1HB   CYS  50          1HB       CYS  50  -1.182  -1.323  -0.151
  358   2HB   CYS  50          2HB       CYS  50  -0.755  -1.479  -1.851
  359    H    TYR  51           H        TYR  51  -2.445  -3.481  -3.650
  360    HA   TYR  51           HA       TYR  51  -0.931  -5.935  -2.872
  361   1HB   TYR  51          1HB       TYR  51  -3.539  -5.663  -3.961
  362   2HB   TYR  51          2HB       TYR  51  -2.545  -6.053  -5.337
  363    HD1  TYR  51           HD1      TYR  51  -3.894  -7.210  -2.117
  364    HD2  TYR  51           HD2      TYR  51  -1.402  -8.258  -5.477
  365    HE1  TYR  51           HE1      TYR  51  -4.103  -9.615  -1.533
  366    HE2  TYR  51           HE2      TYR  51  -1.633 -10.656  -4.899
  367    HH   TYR  51           HH       TYR  51  -2.569 -12.203  -3.450
  368    H    ASP  52           H        ASP  52  -0.224  -3.066  -3.907
  369    HA   ASP  52           HA       ASP  52   0.559  -3.426  -6.647
  370   1HB   ASP  52          1HB       ASP  52  -0.345  -1.334  -5.588
  371   2HB   ASP  52          2HB       ASP  52   1.184  -1.156  -4.713
  372    HD2  ASP  52           HD2      ASP  52   2.840   0.147  -7.481
  373    H    ILE  53           H        ILE  53   2.641  -3.252  -7.508
  374    HA   ILE  53           HA       ILE  53   4.944  -3.847  -5.704
  375    HB   ILE  53           HB       ILE  53   4.448  -4.693  -8.586
  376   1HG1  ILE  53          1HG1      ILE  53   3.169  -6.101  -7.040
  377   2HG1  ILE  53          2HG1      ILE  53   4.479  -6.978  -7.826
  378   1HG2  ILE  53          1HG2      ILE  53   6.635  -5.971  -8.234
  379   2HG2  ILE  53          2HG2      ILE  53   6.776  -4.218  -8.402
  380   3HG2  ILE  53          3HG2      ILE  53   6.875  -4.950  -6.796
  381   1HD1  ILE  53          1HD1      ILE  53   4.478  -5.965  -4.951
  382   2HD1  ILE  53          2HD1      ILE  53   4.326  -7.640  -5.501
  383   3HD1  ILE  53          3HD1      ILE  53   5.852  -6.779  -5.741
  384    H    THR  54           H        THR  54   6.508  -2.371  -5.749
  385    HA   THR  54           HA       THR  54   7.162  -1.034  -8.281
  386    HB   THR  54           HB       THR  54   7.886   1.028  -6.875
  387    HG1  THR  54           HG1      THR  54   7.477   0.217  -4.830
  388   1HG2  THR  54          1HG2      THR  54   6.094   1.154  -8.537
  389   2HG2  THR  54          2HG2      THR  54   4.918   0.605  -7.321
  390   3HG2  THR  54          3HG2      THR  54   5.752   2.155  -7.114
  391    H    ASP  55           H        ASP  55   9.548  -0.078  -7.852
  392    HA   ASP  55           HA       ASP  55  11.087  -2.285  -6.693
  393   1HB   ASP  55          1HB       ASP  55  11.693  -0.983  -8.815
  394   2HB   ASP  55          2HB       ASP  55  12.166   0.344  -7.742
  395    HD2  ASP  55           HD2      ASP  55  14.270  -3.159  -7.791
  396    H    PHE  56           H        PHE  56   9.761   0.726  -5.641
  397    HA   PHE  56           HA       PHE  56  11.599   0.973  -3.302
  398   1HB   PHE  56          1HB       PHE  56  11.045   3.431  -3.540
  399   2HB   PHE  56          2HB       PHE  56  11.996   2.735  -4.822
  400    HD1  PHE  56           HD1      PHE  56  11.103   2.564  -7.111
  401    HD2  PHE  56           HD2      PHE  56   8.626   4.015  -3.891
  402    HE1  PHE  56           HE1      PHE  56   9.382   3.275  -8.748
  403    HE2  PHE  56           HE2      PHE  56   6.928   4.753  -5.535
  404    HZ   PHE  56           HZ       PHE  56   7.297   4.377  -7.964
  405    H    CYS  57           H        CYS  57  10.590   2.450  -1.630
  406    HA   CYS  57           HA       CYS  57   7.818   1.581  -0.973
  407   1HB   CYS  57          1HB       CYS  57  10.306   2.196   0.643
  408   2HB   CYS  57          2HB       CYS  57   8.721   2.411   1.354
  409    H    TYR  58           H        TYR  58   6.484   3.076   0.068
  410    HA   TYR  58           HA       TYR  58   6.723   5.847  -0.894
  411   1HB   TYR  58          1HB       TYR  58   4.299   4.614   0.392
  412   2HB   TYR  58          2HB       TYR  58   4.382   5.808  -0.891
  413    HD1  TYR  58           HD1      TYR  58   3.705   2.428  -0.129
  414    HD2  TYR  58           HD2      TYR  58   5.405   4.899  -3.219
  415    HE1  TYR  58           HE1      TYR  58   3.389   0.595  -1.755
  416    HE2  TYR  58           HE2      TYR  58   5.160   3.026  -4.831
  417    HH   TYR  58           HH       TYR  58   4.751   0.701  -5.015
  418    HA   PRO  59           HA       PRO  59   7.446   7.204   3.290
  419   1HB   PRO  59          1HB       PRO  59   6.144   9.625   3.489
  420   2HB   PRO  59          2HB       PRO  59   7.598   9.359   2.488
  421   1HG   PRO  59          1HG       PRO  59   4.702   9.292   1.615
  422   2HG   PRO  59          2HG       PRO  59   6.050  10.191   0.856
  423   1HD   PRO  59          1HD       PRO  59   5.259   7.785  -0.114
  424   2HD   PRO  59          2HD       PRO  59   6.996   8.191  -0.029
  425    H    SER  60           H        SER  60   6.270   8.058   5.398
  426    HA   SER  60           HA       SER  60   4.466   6.071   6.147
  427   1HB   SER  60          1HB       SER  60   4.264   7.567   8.210
  428   2HB   SER  60          2HB       SER  60   5.806   6.827   7.799
  429    HG   SER  60           HG       SER  60   5.989   9.074   8.319
  430    H    CYS  61           H        CYS  61   2.378   6.100   6.685
  431    HA   CYS  61           HA       CYS  61   0.653   8.142   5.362
  432   1HB   CYS  61          1HB       CYS  61   0.898   5.455   4.881
  433   2HB   CYS  61          2HB       CYS  61  -0.438   5.423   5.982
  434    H    SER  62           H        SER  62  -1.704   7.809   6.153
  435    HA   SER  62           HA       SER  62  -3.271   8.263   7.695
  436   1HB   SER  62          1HB       SER  62  -2.650   6.001   8.534
  437   2HB   SER  62          2HB       SER  62  -1.490   6.743   9.647
  438    HG   SER  62           HG       SER  62  -3.234   7.917  10.531
  Start of MODEL    9
    1   1H    THR   1          1H        THR   1   2.293  27.427   5.571
    2   2H    THR   1          2H        THR   1   3.128  26.004   5.487
    3   3H    THR   1          3H        THR   1   3.011  26.964   4.157
    4    HA   THR   1           HA       THR   1   0.843  25.553   5.479
    5    HB   THR   1           HB       THR   1  -0.106  27.549   4.755
    6    HG1  THR   1           HG1      THR   1  -1.300  25.724   4.234
    7   1HG2  THR   1          1HG2      THR   1   1.189  27.103   2.039
    8   2HG2  THR   1          2HG2      THR   1   0.019  28.370   2.459
    9   3HG2  THR   1          3HG2      THR   1   1.620  28.367   3.221
   10    H    LYS   2           H        LYS   2   0.614  23.471   4.862
   11    HA   LYS   2           HA       LYS   2   1.086  22.535   2.209
   12   1HB   LYS   2          1HB       LYS   2   3.469  22.663   2.951
   13   2HB   LYS   2          2HB       LYS   2   3.077  21.636   4.340
   14   1HG   LYS   2          1HG       LYS   2   2.526  19.769   2.845
   15   2HG   LYS   2          2HG       LYS   2   2.628  20.831   1.432
   16   1HD   LYS   2          1HD       LYS   2   4.606  19.460   1.551
   17   2HD   LYS   2          2HD       LYS   2   5.045  21.156   1.808
   18   1HE   LYS   2          1HE       LYS   2   5.188  20.741   4.263
   19   2HE   LYS   2          2HE       LYS   2   4.683  19.059   4.004
   20   1HZ   LYS   2          1HZ       LYS   2   7.025  19.226   4.226
   21   2HZ   LYS   2          2HZ       LYS   2   6.672  18.767   2.684
   22   3HZ   LYS   2          3HZ       LYS   2   7.136  20.318   2.997
   23    H    SER   3           H        SER   3  -0.594  21.144   2.053
   24    HA   SER   3           HA       SER   3  -1.030  19.069   4.087
   25   1HB   SER   3          1HB       SER   3  -3.213  21.051   3.287
   26   2HB   SER   3          2HB       SER   3  -3.443  19.578   4.248
   27    HG   SER   3           HG       SER   3  -1.757  20.574   5.662
   28    H    THR   4           H        THR   4  -1.341  17.206   3.000
   29    HA   THR   4           HA       THR   4  -2.866  16.990   0.575
   30    HB   THR   4           HB       THR   4  -0.794  17.998  -0.355
   31    HG1  THR   4           HG1      THR   4  -1.868  16.560  -1.625
   32   1HG2  THR   4          1HG2      THR   4   0.860  17.250   1.313
   33   2HG2  THR   4          2HG2      THR   4   0.640  15.565   0.798
   34   3HG2  THR   4          3HG2      THR   4   1.323  16.759  -0.322
   35    H    THR   5           H        THR   5  -2.254  14.631  -0.356
   36    HA   THR   5           HA       THR   5  -1.528  12.689   1.686
   37    HB   THR   5           HB       THR   5  -3.781  12.992   2.382
   38    HG1  THR   5           HG1      THR   5  -3.003  10.872   2.243
   39   1HG2  THR   5          1HG2      THR   5  -5.737  12.630   0.960
   40   2HG2  THR   5          2HG2      THR   5  -4.816  14.037   0.410
   41   3HG2  THR   5          3HG2      THR   5  -4.721  12.507  -0.480
   42    H    THR   6           H        THR   6   0.099  12.901  -0.061
   43    HA   THR   6           HA       THR   6  -0.411  11.892  -2.708
   44    HB   THR   6           HB       THR   6   2.016  12.011  -2.915
   45    HG1  THR   6           HG1      THR   6   1.986  12.559  -0.132
   46   1HG2  THR   6          1HG2      THR   6   0.985  14.419  -1.374
   47   2HG2  THR   6          2HG2      THR   6   2.351  14.368  -2.498
   48   3HG2  THR   6          3HG2      THR   6   0.702  14.104  -3.100
   49    H    ALA   7           H        ALA   7   1.224  10.129  -3.468
   50    HA   ALA   7           HA       ALA   7   0.462   7.567  -2.610
   51   1HB   ALA   7          1HB       ALA   7   2.441   6.782  -3.834
   52   2HB   ALA   7          2HB       ALA   7   1.512   7.983  -4.764
   53   3HB   ALA   7          3HB       ALA   7   3.031   8.454  -3.968
   54    H    CYS   8           H        CYS   8   0.816   6.540  -0.774
   55    HA   CYS   8           HA       CYS   8   3.334   6.839   0.771
   56   1HB   CYS   8          1HB       CYS   8   2.208   7.367   2.761
   57   2HB   CYS   8          2HB       CYS   8   1.693   8.545   1.593
   58    H    CYS   9           H        CYS   9   3.005   5.475   2.754
   59    HA   CYS   9           HA       CYS   9   1.271   3.230   2.837
   60   1HB   CYS   9          1HB       CYS   9   2.767   2.501   0.943
   61   2HB   CYS   9          2HB       CYS   9   4.152   2.618   2.023
   62    H    ASP  10           H        ASP  10   1.728   1.990   4.873
   63    HA   ASP  10           HA       ASP  10   3.317   3.623   6.792
   64   1HB   ASP  10          1HB       ASP  10   0.915   1.788   7.039
   65   2HB   ASP  10          2HB       ASP  10   1.847   2.365   8.422
   66    HD2  ASP  10           HD2      ASP  10   0.741   5.693   8.186
   67    H    PHE  11           H        PHE  11   2.406   0.127   6.427
   68    HA   PHE  11           HA       PHE  11   5.173  -0.637   7.266
   69   1HB   PHE  11          1HB       PHE  11   2.716  -2.345   6.921
   70   2HB   PHE  11          2HB       PHE  11   4.251  -2.816   7.639
   71    HD1  PHE  11           HD1      PHE  11   4.436  -0.167   9.425
   72    HD2  PHE  11           HD2      PHE  11   1.421  -3.182   8.738
   73    HE1  PHE  11           HE1      PHE  11   3.395   0.370  11.589
   74    HE2  PHE  11           HE2      PHE  11   0.390  -2.649  10.906
   75    HZ   PHE  11           HZ       PHE  11   1.347  -0.838  12.338
   76    H    CYS  12           H        CYS  12   6.464  -0.816   5.497
   77    HA   CYS  12           HA       CYS  12   5.347  -2.127   3.062
   78   1HB   CYS  12          1HB       CYS  12   5.531   0.353   2.838
   79   2HB   CYS  12          2HB       CYS  12   7.275   0.184   2.925
   80    HA   PRO  13           HA       PRO  13   9.274  -4.294   4.201
   81   1HB   PRO  13          1HB       PRO  13   8.356  -6.868   4.140
   82   2HB   PRO  13          2HB       PRO  13   8.190  -5.810   5.571
   83   1HG   PRO  13          1HG       PRO  13   6.118  -6.327   3.420
   84   2HG   PRO  13          2HG       PRO  13   5.911  -6.427   5.197
   85   1HD   PRO  13          1HD       PRO  13   5.198  -4.209   3.808
   86   2HD   PRO  13          2HD       PRO  13   5.950  -4.067   5.417
   87    H    CYS  14           H        CYS  14  10.556  -5.633   2.794
   88    HA   CYS  14           HA       CYS  14   9.571  -6.001   0.037
   89   1HB   CYS  14          1HB       CYS  14  12.271  -4.815   0.784
   90   2HB   CYS  14          2HB       CYS  14  11.603  -4.989  -0.830
   91    H    THR  15           H        THR  15  10.830  -7.444  -1.230
   92    HA   THR  15           HA       THR  15  12.178  -9.582   0.291
   93    HB   THR  15           HB       THR  15  12.283 -10.660  -1.932
   94    HG1  THR  15           HG1      THR  15  12.380  -9.049  -3.365
   95   1HG2  THR  15          1HG2      THR  15   9.490  -9.602  -1.307
   96   2HG2  THR  15          2HG2      THR  15   9.893 -11.049  -2.250
   97   3HG2  THR  15          3HG2      THR  15  10.271 -10.992  -0.518
   98    H    ARG  16           H        ARG  16  14.350 -10.225  -0.376
   99    HA   ARG  16           HA       ARG  16  16.070  -7.924  -1.238
  100   1HB   ARG  16          1HB       ARG  16  16.758 -10.418   0.344
  101   2HB   ARG  16          2HB       ARG  16  17.855  -9.090  -0.091
  102   1HG   ARG  16          1HG       ARG  16  16.370  -7.501   1.189
  103   2HG   ARG  16          2HG       ARG  16  15.428  -8.892   1.755
  104   1HD   ARG  16          1HD       ARG  16  18.393  -8.391   2.238
  105   2HD   ARG  16          2HD       ARG  16  17.085  -8.216   3.426
  106    HE   ARG  16           HE       ARG  16  16.934 -10.841   2.424
  107   1HH1  ARG  16          1HH1      ARG  16  19.226  -8.893   4.304
  108   2HH1  ARG  16          2HH1      ARG  16  19.881 -10.264   5.163
  109   1HH2  ARG  16          1HH2      ARG  16  17.813 -12.633   3.538
  110   2HH2  ARG  16          2HH2      ARG  16  19.071 -12.402   4.725
  111    H    SER  17           H        SER  17  14.492  -9.668  -3.032
  112    HA   SER  17           HA       SER  17  16.345 -11.399  -4.435
  113   1HB   SER  17          1HB       SER  17  14.356 -11.211  -6.122
  114   2HB   SER  17          2HB       SER  17  14.094 -12.002  -4.570
  115    HG   SER  17           HG       SER  17  12.445 -10.521  -4.944
  116    H    ILE  18           H        ILE  18  16.381 -10.900  -6.891
  117    HA   ILE  18           HA       ILE  18  17.276  -8.092  -7.356
  118    HB   ILE  18           HB       ILE  18  18.606 -10.630  -8.218
  119   1HG1  ILE  18          1HG1      ILE  18  19.164  -9.933  -5.907
  120   2HG1  ILE  18          2HG1      ILE  18  20.539  -9.860  -7.005
  121   1HG2  ILE  18          1HG2      ILE  18  18.742  -9.184 -10.121
  122   2HG2  ILE  18          2HG2      ILE  18  19.139  -7.779  -9.120
  123   3HG2  ILE  18          3HG2      ILE  18  20.301  -9.112  -9.305
  124   1HD1  ILE  18          1HD1      ILE  18  20.516  -7.926  -5.524
  125   2HD1  ILE  18          2HD1      ILE  18  20.287  -7.397  -7.194
  126   3HD1  ILE  18          3HD1      ILE  18  18.908  -7.448  -6.075
  127    HA   PRO  19           HA       PRO  19  16.344  -6.508  -8.253
  128   1HB   PRO  19          1HB       PRO  19  14.037  -5.240  -8.968
  129   2HB   PRO  19          2HB       PRO  19  15.404  -5.457 -10.099
  130   1HG   PRO  19          1HG       PRO  19  12.923  -7.186  -9.847
  131   2HG   PRO  19          2HG       PRO  19  13.607  -6.462 -11.335
  132   1HD   PRO  19          1HD       PRO  19  14.142  -9.038 -10.587
  133   2HD   PRO  19          2HD       PRO  19  15.394  -8.025 -11.364
  134    HA   PRO  20           HA       PRO  20  13.713  -7.486  -4.684
  135   1HB   PRO  20          1HB       PRO  20  13.580  -5.155  -3.338
  136   2HB   PRO  20          2HB       PRO  20  15.122  -6.034  -3.561
  137   1HG   PRO  20          1HG       PRO  20  14.071  -3.724  -5.232
  138   2HG   PRO  20          2HG       PRO  20  15.674  -3.851  -4.450
  139   1HD   PRO  20          1HD       PRO  20  15.294  -4.530  -7.060
  140   2HD   PRO  20          2HD       PRO  20  16.401  -5.477  -6.022
  141    H    GLN  21           H        GLN  21  11.541  -7.363  -3.974
  142    HA   GLN  21           HA       GLN  21   9.664  -5.605  -5.492
  143   1HB   GLN  21          1HB       GLN  21   9.449  -8.516  -4.625
  144   2HB   GLN  21          2HB       GLN  21   8.069  -7.522  -5.058
  145   1HG   GLN  21          1HG       GLN  21   8.396  -7.921  -7.240
  146   2HG   GLN  21          2HG       GLN  21  10.005  -7.207  -7.175
  147   1HE2  GLN  21          1HE2      GLN  21  11.852  -8.618  -6.673
  148   2HE2  GLN  21          2HE2      GLN  21  11.727 -10.334  -6.973
  149    H    CYS  22           H        CYS  22   8.821  -4.173  -4.166
  150    HA   CYS  22           HA       CYS  22   8.562  -4.708  -1.250
  151   1HB   CYS  22          1HB       CYS  22   8.479  -2.133  -2.800
  152   2HB   CYS  22          2HB       CYS  22   8.276  -2.286  -1.064
  153    H    GLN  23           H        GLN  23   6.645  -4.589  -0.298
  154    HA   GLN  23           HA       GLN  23   4.238  -3.711  -1.747
  155   1HB   GLN  23          1HB       GLN  23   5.013  -6.434  -1.510
  156   2HB   GLN  23          2HB       GLN  23   3.828  -6.234  -0.220
  157   1HG   GLN  23          1HG       GLN  23   3.453  -5.311  -3.085
  158   2HG   GLN  23          2HG       GLN  23   3.008  -6.922  -2.502
  159   1HE2  GLN  23          1HE2      GLN  23   1.285  -7.062  -0.816
  160   2HE2  GLN  23          2HE2      GLN  23   0.083  -5.790  -0.726
  161    H    CYS  24           H        CYS  24   2.371  -3.530  -0.345
  162    HA   CYS  24           HA       CYS  24   3.133  -2.464   2.311
  163   1HB   CYS  24          1HB       CYS  24   0.841  -2.005   0.393
  164   2HB   CYS  24          2HB       CYS  24   0.849  -1.375   2.044
  165    H    THR  25           H        THR  25   2.423  -3.372   4.122
  166    HA   THR  25           HA       THR  25   0.516  -5.664   3.977
  167    HB   THR  25           HB       THR  25   1.558  -6.341   6.117
  168    HG1  THR  25           HG1      THR  25   2.400  -4.447   6.881
  169   1HG2  THR  25          1HG2      THR  25   2.334  -7.211   3.923
  170   2HG2  THR  25          2HG2      THR  25   3.547  -5.914   3.850
  171   3HG2  THR  25          3HG2      THR  25   3.629  -7.140   5.138
  172    H    ASP  26           H        ASP  26   1.025  -2.444   5.382
  173    HA   ASP  26           HA       ASP  26  -0.887  -2.682   7.465
  174   1HB   ASP  26          1HB       ASP  26   0.670  -0.812   7.333
  175   2HB   ASP  26          2HB       ASP  26  -0.144  -0.214   5.864
  176    HD2  ASP  26           HD2      ASP  26  -2.714   1.302   7.651
  177    H    VAL  27           H        VAL  27  -2.971  -2.102   7.537
  178    HA   VAL  27           HA       VAL  27  -4.562  -2.134   5.003
  179    HB   VAL  27           HB       VAL  27  -5.421  -3.427   7.616
  180   1HG1  VAL  27          1HG1      VAL  27  -7.091  -4.513   6.181
  181   2HG1  VAL  27          2HG1      VAL  27  -7.164  -2.759   5.937
  182   3HG1  VAL  27          3HG1      VAL  27  -6.371  -3.786   4.733
  183   1HG2  VAL  27          1HG2      VAL  27  -4.954  -5.626   6.536
  184   2HG2  VAL  27          2HG2      VAL  27  -4.106  -4.793   5.223
  185   3HG2  VAL  27          3HG2      VAL  27  -3.475  -4.728   6.884
  186    H    ARG  28           H        ARG  28  -6.332  -0.702   4.991
  187    HA   ARG  28           HA       ARG  28  -6.901   1.055   7.263
  188   1HB   ARG  28          1HB       ARG  28  -4.647   1.608   5.619
  189   2HB   ARG  28          2HB       ARG  28  -5.855   2.722   5.047
  190   1HG   ARG  28          1HG       ARG  28  -5.047   2.311   7.971
  191   2HG   ARG  28          2HG       ARG  28  -4.336   3.520   6.910
  192   1HD   ARG  28          1HD       ARG  28  -7.291   3.407   7.669
  193   2HD   ARG  28          2HD       ARG  28  -6.094   4.433   8.452
  194    HE   ARG  28           HE       ARG  28  -7.425   4.884   5.934
  195   1HH1  ARG  28          1HH1      ARG  28  -4.450   5.679   7.733
  196   2HH1  ARG  28          2HH1      ARG  28  -4.117   7.100   6.781
  197   1HH2  ARG  28          1HH2      ARG  28  -6.946   6.672   4.675
  198   2HH2  ARG  28          2HH2      ARG  28  -5.545   7.660   5.018
  199    H    GLU  29           H        GLU  29  -7.833   3.173   5.405
  200    HA   GLU  29           HA       GLU  29 -10.138   1.922   4.163
  201   1HB   GLU  29          1HB       GLU  29  -9.781   4.323   5.298
  202   2HB   GLU  29          2HB       GLU  29  -9.199   4.770   3.702
  203   1HG   GLU  29          1HG       GLU  29 -11.540   5.280   3.952
  204   2HG   GLU  29          2HG       GLU  29 -11.400   3.961   2.774
  205    HE2  GLU  29           HE2      GLU  29 -13.378   1.799   4.611
  206    H    LYS  30           H        LYS  30  -9.767   3.830   1.766
  207    HA   LYS  30           HA       LYS  30  -8.897   1.760   0.074
  208   1HB   LYS  30          1HB       LYS  30  -9.186   4.689  -0.620
  209   2HB   LYS  30          2HB       LYS  30  -9.162   3.326  -1.733
  210   1HG   LYS  30          1HG       LYS  30 -11.215   2.396  -0.634
  211   2HG   LYS  30          2HG       LYS  30 -11.321   3.879   0.339
  212   1HD   LYS  30          1HD       LYS  30 -11.443   5.239  -1.728
  213   2HD   LYS  30          2HD       LYS  30 -11.348   3.759  -2.706
  214   1HE   LYS  30          1HE       LYS  30 -13.442   2.930  -1.708
  215   2HE   LYS  30          2HE       LYS  30 -13.541   4.365  -0.669
  216   1HZ   LYS  30          1HZ       LYS  30 -13.787   5.710  -2.588
  217   2HZ   LYS  30          2HZ       LYS  30 -13.573   4.430  -3.606
  218   3HZ   LYS  30          3HZ       LYS  30 -14.909   4.505  -2.645
  219    H    CYS  31           H        CYS  31  -7.318   1.853  -1.547
  220    HA   CYS  31           HA       CYS  31  -4.636   2.229  -0.637
  221   1HB   CYS  31          1HB       CYS  31  -4.126   1.560  -3.008
  222   2HB   CYS  31          2HB       CYS  31  -5.056   0.430  -2.054
  223    H    HIS  32           H        HIS  32  -3.015   3.386  -1.877
  224    HA   HIS  32           HA       HIS  32  -3.761   6.179  -1.977
  225   1HB   HIS  32          1HB       HIS  32  -1.387   6.610  -2.077
  226   2HB   HIS  32          2HB       HIS  32  -1.807   5.540  -0.788
  227    HD1  HIS  32           HD1      HIS  32   0.306   5.741  -3.878
  228    HD2  HIS  32           HD2      HIS  32  -0.971   2.882  -1.083
  229    HE1  HIS  32           HE1      HIS  32   1.771   3.675  -4.197
  230    HE2  HIS  32           HE2      HIS  32   1.010   1.911  -2.505
  231    H    SER  33           H        SER  33  -2.535   7.564  -3.508
  232    HA   SER  33           HA       SER  33  -3.875   7.518  -5.940
  233   1HB   SER  33          1HB       SER  33  -2.964   9.521  -4.772
  234   2HB   SER  33          2HB       SER  33  -1.347   9.040  -5.325
  235    HG   SER  33           HG       SER  33  -2.253   9.129  -7.492
  236    H    ALA  34           H        ALA  34  -0.714   6.224  -5.191
  237    HA   ALA  34           HA       ALA  34  -0.190   5.585  -8.081
  238   1HB   ALA  34          1HB       ALA  34   2.154   5.410  -7.476
  239   2HB   ALA  34          2HB       ALA  34   1.528   7.000  -7.010
  240   3HB   ALA  34          3HB       ALA  34   1.776   5.737  -5.777
  241    H    CYS  35           H        CYS  35  -2.080   4.058  -6.657
  242    HA   CYS  35           HA       CYS  35  -0.661   1.437  -6.497
  243   1HB   CYS  35          1HB       CYS  35  -1.735   2.201  -4.352
  244   2HB   CYS  35          2HB       CYS  35  -3.291   2.170  -5.196
  245    H    LYS  36           H        LYS  36  -1.199   0.034  -8.080
  246    HA   LYS  36           HA       LYS  36  -3.264   0.868 -10.027
  247   1HB   LYS  36          1HB       LYS  36  -0.737   0.516 -10.512
  248   2HB   LYS  36          2HB       LYS  36  -1.095  -1.209 -10.478
  249   1HG   LYS  36          1HG       LYS  36  -2.749  -0.949 -12.276
  250   2HG   LYS  36          2HG       LYS  36  -2.589   0.819 -12.196
  251   1HD   LYS  36          1HD       LYS  36  -0.200   0.635 -12.878
  252   2HD   LYS  36          2HD       LYS  36  -0.380  -1.124 -12.990
  253   1HE   LYS  36          1HE       LYS  36  -0.530  -0.131 -15.211
  254   2HE   LYS  36          2HE       LYS  36  -2.094  -0.836 -14.773
  255   1HZ   LYS  36          1HZ       LYS  36  -1.379   2.013 -14.601
  256   2HZ   LYS  36          2HZ       LYS  36  -2.309   1.317 -15.771
  257   3HZ   LYS  36          3HZ       LYS  36  -2.847   1.368 -14.216
  258    H    SER  37           H        SER  37  -2.012  -2.069  -8.403
  259    HA   SER  37           HA       SER  37  -4.593  -3.476  -8.754
  260   1HB   SER  37          1HB       SER  37  -3.122  -5.312  -7.778
  261   2HB   SER  37          2HB       SER  37  -2.761  -4.814  -9.432
  262    HG   SER  37           HG       SER  37  -1.029  -3.633  -8.662
  263    H    CYS  38           H        CYS  38  -5.911  -3.521  -7.029
  264    HA   CYS  38           HA       CYS  38  -4.981  -2.840  -4.298
  265   1HB   CYS  38          1HB       CYS  38  -5.331  -0.746  -5.461
  266   2HB   CYS  38          2HB       CYS  38  -6.889  -1.281  -6.083
  267    H    LEU  39           H        LEU  39  -6.361  -3.622  -2.714
  268    HA   LEU  39           HA       LEU  39  -8.634  -5.334  -3.569
  269   1HB   LEU  39          1HB       LEU  39  -5.932  -6.218  -2.970
  270   2HB   LEU  39          2HB       LEU  39  -6.945  -6.694  -1.624
  271    HG   LEU  39           HG       LEU  39  -6.745  -8.469  -3.216
  272   1HD1  LEU  39          1HD1      LEU  39  -8.888  -8.247  -1.989
  273   2HD1  LEU  39          2HD1      LEU  39  -9.588  -7.379  -3.373
  274   3HD1  LEU  39          3HD1      LEU  39  -9.069  -9.060  -3.553
  275   1HD2  LEU  39          1HD2      LEU  39  -8.100  -6.739  -5.320
  276   2HD2  LEU  39          2HD2      LEU  39  -6.353  -7.058  -5.248
  277   3HD2  LEU  39          3HD2      LEU  39  -7.497  -8.392  -5.496
  278    H    CYS  40           H        CYS  40  -9.972  -6.042  -1.797
  279    HA   CYS  40           HA       CYS  40  -9.492  -4.810   0.823
  280   1HB   CYS  40          1HB       CYS  40 -12.166  -4.683  -0.606
  281   2HB   CYS  40          2HB       CYS  40 -11.783  -3.998   0.966
  282    H    THR  41           H        THR  41 -10.886  -5.732   2.482
  283    HA   THR  41           HA       THR  41 -10.990  -8.652   2.151
  284    HB   THR  41           HB       THR  41 -11.394  -8.592   4.604
  285    HG1  THR  41           HG1      THR  41 -12.354  -6.619   4.853
  286   1HG2  THR  41          1HG2      THR  41  -9.154  -7.859   5.224
  287   2HG2  THR  41          2HG2      THR  41  -9.112  -8.758   3.694
  288   3HG2  THR  41          3HG2      THR  41  -8.981  -6.982   3.686
  289    H    ARG  42           H        ARG  42 -12.798  -9.898   2.619
  290    HA   ARG  42           HA       ARG  42 -15.383  -8.669   1.973
  291   1HB   ARG  42          1HB       ARG  42 -16.167 -10.894   1.704
  292   2HB   ARG  42          2HB       ARG  42 -14.631 -10.718   0.844
  293   1HG   ARG  42          1HG       ARG  42 -13.459 -11.884   2.673
  294   2HG   ARG  42          2HG       ARG  42 -14.985 -12.010   3.583
  295   1HD   ARG  42          1HD       ARG  42 -15.977 -13.303   1.715
  296   2HD   ARG  42          2HD       ARG  42 -14.414 -13.256   0.864
  297    HE   ARG  42           HE       ARG  42 -13.857 -14.271   3.396
  298   1HH1  ARG  42          1HH1      ARG  42 -15.906 -15.241   0.660
  299   2HH1  ARG  42          2HH1      ARG  42 -15.821 -16.942   1.038
  300   1HH2  ARG  42          1HH2      ARG  42 -13.751 -16.511   3.873
  301   2HH2  ARG  42          2HH2      ARG  42 -14.587 -17.665   2.868
  302    H    SER  43           H        SER  43 -13.803  -8.583   4.787
  303    HA   SER  43           HA       SER  43 -15.625  -9.729   6.655
  304   1HB   SER  43          1HB       SER  43 -14.253  -8.189   8.209
  305   2HB   SER  43          2HB       SER  43 -13.383  -9.428   7.322
  306    HG   SER  43           HG       SER  43 -12.450  -7.268   7.235
  307    H    PHE  44           H        PHE  44 -16.381  -8.151   8.410
  308    HA   PHE  44           HA       PHE  44 -17.562  -5.669   7.291
  309   1HB   PHE  44          1HB       PHE  44 -19.287  -7.440   7.374
  310   2HB   PHE  44          2HB       PHE  44 -19.112  -7.495   9.125
  311    HD1  PHE  44           HD1      PHE  44 -19.739  -5.462  10.510
  312    HD2  PHE  44           HD2      PHE  44 -20.394  -5.613   6.247
  313    HE1  PHE  44           HE1      PHE  44 -21.140  -3.422  10.648
  314    HE2  PHE  44           HE2      PHE  44 -21.821  -3.593   6.399
  315    HZ   PHE  44           HZ       PHE  44 -22.168  -2.472   8.593
  316    HA   PRO  45           HA       PRO  45 -17.410  -3.563   7.787
  317   1HB   PRO  45          1HB       PRO  45 -15.500  -1.660   8.179
  318   2HB   PRO  45          2HB       PRO  45 -16.988  -1.781   9.159
  319   1HG   PRO  45          1HG       PRO  45 -14.255  -2.908   9.845
  320   2HG   PRO  45          2HG       PRO  45 -15.294  -1.868  10.864
  321   1HD   PRO  45          1HD       PRO  45 -15.303  -4.572  11.132
  322   2HD   PRO  45          2HD       PRO  45 -16.832  -3.656  11.239
  323    HA   PRO  46           HA       PRO  46 -14.174  -5.277   5.091
  324   1HB   PRO  46          1HB       PRO  46 -14.717  -4.019   2.748
  325   2HB   PRO  46          2HB       PRO  46 -15.820  -5.232   3.453
  326   1HG   PRO  46          1HG       PRO  46 -16.034  -2.217   3.661
  327   2HG   PRO  46          2HG       PRO  46 -17.312  -3.384   3.220
  328   1HD   PRO  46          1HD       PRO  46 -17.015  -2.408   5.767
  329   2HD   PRO  46          2HD       PRO  46 -17.575  -4.079   5.451
  330    H    GLN  47           H        GLN  47 -12.035  -4.704   5.159
  331    HA   GLN  47           HA       GLN  47 -11.276  -1.829   5.217
  332   1HB   GLN  47          1HB       GLN  47  -9.901  -4.343   6.267
  333   2HB   GLN  47          2HB       GLN  47  -9.301  -2.687   6.381
  334   1HG   GLN  47          1HG       GLN  47 -11.786  -3.813   7.723
  335   2HG   GLN  47          2HG       GLN  47 -10.274  -3.347   8.505
  336   1HE2  GLN  47          1HE2      GLN  47  -9.629  -0.893   7.536
  337   2HE2  GLN  47          2HE2      GLN  47 -10.905   0.260   7.873
  338    H    CYS  48           H        CYS  48  -9.611  -1.115   3.874
  339    HA   CYS  48           HA       CYS  48  -9.139  -2.853   1.509
  340   1HB   CYS  48          1HB       CYS  48  -9.703   0.071   1.846
  341   2HB   CYS  48          2HB       CYS  48  -9.010  -0.594   0.364
  342    H    ARG  49           H        ARG  49  -7.256  -2.399   0.225
  343    HA   ARG  49           HA       ARG  49  -4.855  -1.418   1.582
  344   1HB   ARG  49          1HB       ARG  49  -5.594  -3.893   2.311
  345   2HB   ARG  49          2HB       ARG  49  -4.948  -4.309   0.735
  346   1HG   ARG  49          1HG       ARG  49  -2.933  -2.706   1.969
  347   2HG   ARG  49          2HG       ARG  49  -3.676  -3.588   3.293
  348   1HD   ARG  49          1HD       ARG  49  -1.996  -4.608   1.041
  349   2HD   ARG  49          2HD       ARG  49  -1.920  -4.950   2.750
  350    HE   ARG  49           HE       ARG  49  -3.649  -6.532   2.596
  351   1HH1  ARG  49          1HH1      ARG  49  -2.815  -5.227  -0.631
  352   2HH1  ARG  49          2HH1      ARG  49  -3.624  -6.520  -1.472
  353   1HH2  ARG  49          1HH2      ARG  49  -4.681  -8.198   1.449
  354   2HH2  ARG  49          2HH2      ARG  49  -4.677  -8.211  -0.296
  355    H    CYS  50           H        CYS  50  -2.952  -1.787   0.206
  356    HA   CYS  50           HA       CYS  50  -3.566  -1.647  -2.709
  357   1HB   CYS  50          1HB       CYS  50  -2.391   0.281  -1.715
  358   2HB   CYS  50          2HB       CYS  50  -1.117  -0.794  -1.127
  359    H    TYR  51           H        TYR  51  -2.564  -3.104  -4.161
  360    HA   TYR  51           HA       TYR  51  -1.057  -5.382  -2.957
  361   1HB   TYR  51          1HB       TYR  51  -3.358  -5.824  -3.951
  362   2HB   TYR  51          2HB       TYR  51  -2.690  -5.362  -5.501
  363    HD1  TYR  51           HD1      TYR  51  -1.620  -7.017  -6.852
  364    HD2  TYR  51           HD2      TYR  51  -2.127  -7.720  -2.626
  365    HE1  TYR  51           HE1      TYR  51  -0.692  -9.293  -7.117
  366    HE2  TYR  51           HE2      TYR  51  -1.217 -10.005  -2.900
  367    HH   TYR  51           HH       TYR  51  -0.352 -11.567  -4.370
  368    H    ASP  52           H        ASP  52  -0.824  -2.641  -5.017
  369    HA   ASP  52           HA       ASP  52   0.758  -3.563  -7.092
  370   1HB   ASP  52          1HB       ASP  52  -0.409  -1.380  -6.945
  371   2HB   ASP  52          2HB       ASP  52   0.811  -0.812  -5.793
  372    HD2  ASP  52           HD2      ASP  52   2.072  -1.520  -9.605
  373    H    ILE  53           H        ILE  53   2.851  -3.656  -7.584
  374    HA   ILE  53           HA       ILE  53   4.712  -4.116  -5.328
  375    HB   ILE  53           HB       ILE  53   4.931  -4.983  -8.235
  376   1HG1  ILE  53          1HG1      ILE  53   2.844  -5.938  -7.513
  377   2HG1  ILE  53          2HG1      ILE  53   4.080  -7.184  -7.651
  378   1HG2  ILE  53          1HG2      ILE  53   6.267  -5.985  -5.687
  379   2HG2  ILE  53          2HG2      ILE  53   6.419  -6.727  -7.293
  380   3HG2  ILE  53          3HG2      ILE  53   7.029  -5.093  -7.010
  381   1HD1  ILE  53          1HD1      ILE  53   3.078  -5.897  -5.098
  382   2HD1  ILE  53          2HD1      ILE  53   2.736  -7.542  -5.642
  383   3HD1  ILE  53          3HD1      ILE  53   4.383  -7.104  -5.146
  384    H    THR  54           H        THR  54   6.534  -2.839  -5.159
  385    HA   THR  54           HA       THR  54   7.377  -1.249  -7.544
  386    HB   THR  54           HB       THR  54   8.025   0.538  -5.792
  387    HG1  THR  54           HG1      THR  54   7.540  -0.725  -3.952
  388   1HG2  THR  54          1HG2      THR  54   5.850   1.620  -5.806
  389   2HG2  THR  54          2HG2      THR  54   6.225   0.952  -7.408
  390   3HG2  THR  54          3HG2      THR  54   5.062   0.118  -6.337
  391    H    ASP  55           H        ASP  55   9.563  -0.563  -7.546
  392    HA   ASP  55           HA       ASP  55  11.461  -2.481  -6.478
  393   1HB   ASP  55          1HB       ASP  55  13.093  -1.093  -7.649
  394   2HB   ASP  55          2HB       ASP  55  11.770  -1.582  -8.711
  395    HD2  ASP  55           HD2      ASP  55  12.684   2.139  -8.802
  396    H    PHE  56           H        PHE  56  10.526   0.876  -5.916
  397    HA   PHE  56           HA       PHE  56  12.166   1.072  -3.410
  398   1HB   PHE  56          1HB       PHE  56  11.339   3.495  -3.521
  399   2HB   PHE  56          2HB       PHE  56  12.486   2.968  -4.714
  400    HD1  PHE  56           HD1      PHE  56   8.723   3.244  -4.288
  401    HD2  PHE  56           HD2      PHE  56  12.112   3.583  -6.942
  402    HE1  PHE  56           HE1      PHE  56   7.223   3.920  -6.124
  403    HE2  PHE  56           HE2      PHE  56  10.596   4.270  -8.773
  404    HZ   PHE  56           HZ       PHE  56   8.149   4.443  -8.370
  405    H    CYS  57           H        CYS  57  10.580   2.617  -1.880
  406    HA   CYS  57           HA       CYS  57   7.797   2.040  -2.325
  407   1HB   CYS  57          1HB       CYS  57   8.583   0.184  -0.793
  408   2HB   CYS  57          2HB       CYS  57   8.820   1.406   0.461
  409    H    TYR  58           H        TYR  58   6.416   3.513  -1.217
  410    HA   TYR  58           HA       TYR  58   7.515   6.145  -0.996
  411   1HB   TYR  58          1HB       TYR  58   4.755   5.030  -0.354
  412   2HB   TYR  58          2HB       TYR  58   5.156   6.728  -0.571
  413    HD1  TYR  58           HD1      TYR  58   4.370   3.597  -2.271
  414    HD2  TYR  58           HD2      TYR  58   5.854   7.611  -2.812
  415    HE1  TYR  58           HE1      TYR  58   4.164   3.346  -4.727
  416    HE2  TYR  58           HE2      TYR  58   5.563   7.385  -5.261
  417    HH   TYR  58           HH       TYR  58   5.021   5.975  -7.001
  418    HA   PRO  59           HA       PRO  59   8.343   6.160   3.345
  419   1HB   PRO  59          1HB       PRO  59   8.036   8.771   4.083
  420   2HB   PRO  59          2HB       PRO  59   9.291   8.240   2.928
  421   1HG   PRO  59          1HG       PRO  59   6.544   9.349   2.270
  422   2HG   PRO  59          2HG       PRO  59   8.124   9.919   1.650
  423   1HD   PRO  59          1HD       PRO  59   6.600   8.191   0.240
  424   2HD   PRO  59          2HD       PRO  59   8.375   7.982   0.289
  425    H    SER  60           H        SER  60   7.421   6.944   5.563
  426    HA   SER  60           HA       SER  60   5.096   5.583   6.045
  427   1HB   SER  60          1HB       SER  60   5.293   7.410   8.137
  428   2HB   SER  60          2HB       SER  60   5.912   5.761   8.037
  429    HG   SER  60           HG       SER  60   7.512   7.395   8.546
  430    H    CYS  61           H        CYS  61   3.017   6.003   6.024
  431    HA   CYS  61           HA       CYS  61   2.012   8.597   5.067
  432   1HB   CYS  61          1HB       CYS  61   1.216   6.145   4.468
  433   2HB   CYS  61          2HB       CYS  61   0.184   6.357   5.873
  434    H    SER  62           H        SER  62   0.001   9.423   6.094
  435    HA   SER  62           HA       SER  62   0.115   9.501   9.071
  436   1HB   SER  62          1HB       SER  62   0.158  11.670   7.854
  437   2HB   SER  62          2HB       SER  62  -1.414  11.275   7.130
  438    HG   SER  62           HG       SER  62  -1.571  12.548   9.045
  Start of MODEL   10
    1   1H    THR   1          1H        THR   1  -5.643  22.799  10.520
    2   2H    THR   1          2H        THR   1  -6.505  22.114   9.290
    3   3H    THR   1          3H        THR   1  -6.916  21.796  10.852
    4    HA   THR   1           HA       THR   1  -4.423  20.997   9.561
    5    HB   THR   1           HB       THR   1  -4.100  19.645  11.625
    6    HG1  THR   1           HG1      THR   1  -6.013  21.362  12.815
    7   1HG2  THR   1          1HG2      THR   1  -3.281  21.504  13.016
    8   2HG2  THR   1          2HG2      THR   1  -2.887  21.767  11.306
    9   3HG2  THR   1          3HG2      THR   1  -4.221  22.667  12.063
   10    H    LYS   2           H        LYS   2  -4.310  18.864   8.826
   11    HA   LYS   2           HA       LYS   2  -6.381  16.930   9.309
   12   1HB   LYS   2          1HB       LYS   2  -7.532  18.378   7.635
   13   2HB   LYS   2          2HB       LYS   2  -6.194  18.121   6.503
   14   1HG   LYS   2          1HG       LYS   2  -6.647  15.687   6.520
   15   2HG   LYS   2          2HG       LYS   2  -7.961  15.920   7.677
   16   1HD   LYS   2          1HD       LYS   2  -7.893  17.199   4.901
   17   2HD   LYS   2          2HD       LYS   2  -8.634  15.629   5.257
   18   1HE   LYS   2          1HE       LYS   2 -10.085  16.752   6.988
   19   2HE   LYS   2          2HE       LYS   2  -9.471  18.320   6.429
   20   1HZ   LYS   2          1HZ       LYS   2 -11.557  17.684   5.436
   21   2HZ   LYS   2          2HZ       LYS   2 -10.383  17.861   4.292
   22   3HZ   LYS   2          3HZ       LYS   2 -10.865  16.353   4.757
   23    H    SER   3           H        SER   3  -5.345  14.980   9.231
   24    HA   SER   3           HA       SER   3  -2.570  14.877   8.336
   25   1HB   SER   3          1HB       SER   3  -2.641  12.649   9.402
   26   2HB   SER   3          2HB       SER   3  -3.193  13.944  10.478
   27    HG   SER   3           HG       SER   3  -4.844  12.201   8.971
   28    H    THR   4           H        THR   4  -3.341  15.336   6.066
   29    HA   THR   4           HA       THR   4  -3.525  12.784   4.550
   30    HB   THR   4           HB       THR   4  -4.947  14.094   2.885
   31    HG1  THR   4           HG1      THR   4  -6.081  15.859   3.781
   32   1HG2  THR   4          1HG2      THR   4  -6.193  13.526   5.614
   33   2HG2  THR   4          2HG2      THR   4  -7.062  13.684   4.076
   34   3HG2  THR   4          3HG2      THR   4  -5.923  12.348   4.314
   35    H    THR   5           H        THR   5  -2.334  12.822   2.610
   36    HA   THR   5           HA       THR   5  -0.909  15.202   1.761
   37    HB   THR   5           HB       THR   5   0.411  14.495   3.714
   38    HG1  THR   5           HG1      THR   5   2.374  14.326   2.661
   39   1HG2  THR   5          1HG2      THR   5   0.770  11.816   2.297
   40   2HG2  THR   5          2HG2      THR   5   1.647  12.368   3.732
   41   3HG2  THR   5          3HG2      THR   5  -0.100  12.096   3.820
   42    H    THR   6           H        THR   6   1.072  13.521   0.472
   43    HA   THR   6           HA       THR   6  -0.359  12.829  -1.973
   44    HB   THR   6           HB       THR   6   1.932  12.422  -2.779
   45    HG1  THR   6           HG1      THR   6   2.730  11.611  -0.743
   46   1HG2  THR   6          1HG2      THR   6   1.813  14.983  -1.135
   47   2HG2  THR   6          2HG2      THR   6   2.794  14.671  -2.577
   48   3HG2  THR   6          3HG2      THR   6   1.027  14.750  -2.712
   49    H    ALA   7           H        ALA   7   0.649  10.770  -3.049
   50    HA   ALA   7           HA       ALA   7  -0.259   8.329  -2.041
   51   1HB   ALA   7          1HB       ALA   7   0.483   8.561  -4.323
   52   2HB   ALA   7          2HB       ALA   7   2.130   8.987  -3.811
   53   3HB   ALA   7          3HB       ALA   7   1.519   7.347  -3.536
   54    H    CYS   8           H        CYS   8   0.238   7.185  -0.299
   55    HA   CYS   8           HA       CYS   8   2.979   7.241   0.882
   56   1HB   CYS   8          1HB       CYS   8   2.155   7.686   3.047
   57   2HB   CYS   8          2HB       CYS   8   1.588   8.969   2.024
   58    H    CYS   9           H        CYS   9   2.838   5.790   2.855
   59    HA   CYS   9           HA       CYS   9   1.197   3.458   2.938
   60   1HB   CYS   9          1HB       CYS   9   2.300   2.873   0.857
   61   2HB   CYS   9          2HB       CYS   9   3.889   3.260   1.510
   62    H    ASP  10           H        ASP  10   1.860   2.179   4.831
   63    HA   ASP  10           HA       ASP  10   3.699   3.699   6.617
   64   1HB   ASP  10          1HB       ASP  10   1.332   1.850   7.124
   65   2HB   ASP  10          2HB       ASP  10   2.399   2.503   8.367
   66    HD2  ASP  10           HD2      ASP  10  -0.547   4.739   6.902
   67    H    PHE  11           H        PHE  11   2.574   0.271   6.423
   68    HA   PHE  11           HA       PHE  11   5.293  -0.694   7.009
   69   1HB   PHE  11          1HB       PHE  11   2.846  -2.305   6.287
   70   2HB   PHE  11          2HB       PHE  11   4.287  -2.840   7.141
   71    HD1  PHE  11           HD1      PHE  11   1.334  -3.257   7.848
   72    HD2  PHE  11           HD2      PHE  11   4.264  -0.372   9.163
   73    HE1  PHE  11           HE1      PHE  11   0.028  -2.871   9.904
   74    HE2  PHE  11           HE2      PHE  11   2.954   0.006  11.221
   75    HZ   PHE  11           HZ       PHE  11   0.815  -1.210  11.591
   76    H    CYS  12           H        CYS  12   6.645  -0.607   5.247
   77    HA   CYS  12           HA       CYS  12   5.644  -1.817   2.716
   78   1HB   CYS  12          1HB       CYS  12   5.876   0.658   2.497
   79   2HB   CYS  12          2HB       CYS  12   7.616   0.458   2.660
   80    HA   PRO  13           HA       PRO  13   9.417  -4.098   4.108
   81   1HB   PRO  13          1HB       PRO  13   8.407  -6.632   3.970
   82   2HB   PRO  13          2HB       PRO  13   8.184  -5.585   5.402
   83   1HG   PRO  13          1HG       PRO  13   6.252  -5.974   3.095
   84   2HG   PRO  13          2HG       PRO  13   5.909  -6.137   4.846
   85   1HD   PRO  13          1HD       PRO  13   5.361  -3.846   3.534
   86   2HD   PRO  13          2HD       PRO  13   6.065  -3.780   5.172
   87    H    CYS  14           H        CYS  14  10.652  -5.585   2.736
   88    HA   CYS  14           HA       CYS  14   9.753  -5.800  -0.064
   89   1HB   CYS  14          1HB       CYS  14  12.526  -4.895   0.789
   90   2HB   CYS  14          2HB       CYS  14  11.883  -4.964  -0.844
   91    H    THR  15           H        THR  15  10.960  -7.359  -1.294
   92    HA   THR  15           HA       THR  15  11.768  -9.709   0.269
   93    HB   THR  15           HB       THR  15  11.975 -10.749  -1.933
   94    HG1  THR  15           HG1      THR  15  11.857  -9.621  -3.752
   95   1HG2  THR  15          1HG2      THR  15   9.707 -10.612  -0.921
   96   2HG2  THR  15          2HG2      THR  15   9.416  -9.088  -1.781
   97   3HG2  THR  15          3HG2      THR  15   9.649 -10.590  -2.692
   98    H    ARG  16           H        ARG  16  13.843 -10.778  -0.262
   99    HA   ARG  16           HA       ARG  16  16.076  -8.840  -0.765
  100   1HB   ARG  16          1HB       ARG  16  16.077 -11.480   0.739
  101   2HB   ARG  16          2HB       ARG  16  17.450 -10.384   0.491
  102   1HG   ARG  16          1HG       ARG  16  16.241  -8.585   1.711
  103   2HG   ARG  16          2HG       ARG  16  14.913  -9.708   2.058
  104   1HD   ARG  16          1HD       ARG  16  17.813 -10.095   2.903
  105   2HD   ARG  16          2HD       ARG  16  16.507  -9.489   3.945
  106    HE   ARG  16           HE       ARG  16  15.637 -11.941   2.870
  107   1HH1  ARG  16          1HH1      ARG  16  18.172 -10.784   5.066
  108   2HH1  ARG  16          2HH1      ARG  16  18.244 -12.272   5.974
  109   1HH2  ARG  16          1HH2      ARG  16  15.743 -13.893   4.065
  110   2HH2  ARG  16          2HH2      ARG  16  16.853 -14.047   5.403
  111    H    SER  17           H        SER  17  14.442 -10.137  -2.879
  112    HA   SER  17           HA       SER  17  16.163 -12.197  -4.037
  113   1HB   SER  17          1HB       SER  17  14.353 -12.120  -5.796
  114   2HB   SER  17          2HB       SER  17  13.808 -12.502  -4.175
  115    HG   SER  17           HG       SER  17  13.608 -10.035  -5.554
  116    H    ILE  18           H        ILE  18  16.265 -11.827  -6.545
  117    HA   ILE  18           HA       ILE  18  17.541  -9.209  -7.114
  118    HB   ILE  18           HB       ILE  18  19.204 -10.785  -6.615
  119   1HG1  ILE  18          1HG1      ILE  18  20.529 -10.817  -8.710
  120   2HG1  ILE  18          2HG1      ILE  18  19.097 -10.368  -9.641
  121   1HG2  ILE  18          1HG2      ILE  18  18.054 -12.931  -7.053
  122   2HG2  ILE  18          2HG2      ILE  18  18.269 -12.673  -8.799
  123   3HG2  ILE  18          3HG2      ILE  18  19.671 -12.835  -7.747
  124   1HD1  ILE  18          1HD1      ILE  18  19.011  -8.191  -8.544
  125   2HD1  ILE  18          2HD1      ILE  18  20.267  -8.683  -7.379
  126   3HD1  ILE  18          3HD1      ILE  18  20.670  -8.472  -9.095
  127    HA   PRO  19           HA       PRO  19  16.726  -7.482  -8.019
  128   1HB   PRO  19          1HB       PRO  19  14.598  -6.038  -8.796
  129   2HB   PRO  19          2HB       PRO  19  15.950  -6.407  -9.903
  130   1HG   PRO  19          1HG       PRO  19  13.302  -7.869  -9.680
  131   2HG   PRO  19          2HG       PRO  19  14.088  -7.245 -11.162
  132   1HD   PRO  19          1HD       PRO  19  14.351  -9.848 -10.370
  133   2HD   PRO  19          2HD       PRO  19  15.706  -8.974 -11.136
  134    HA   PRO  20           HA       PRO  20  13.732  -8.102  -4.636
  135   1HB   PRO  20          1HB       PRO  20  14.091  -5.897  -3.136
  136   2HB   PRO  20          2HB       PRO  20  15.397  -7.102  -3.345
  137   1HG   PRO  20          1HG       PRO  20  15.029  -4.512  -4.884
  138   2HG   PRO  20          2HG       PRO  20  16.504  -5.092  -4.058
  139   1HD   PRO  20          1HD       PRO  20  16.056  -5.478  -6.746
  140   2HD   PRO  20          2HD       PRO  20  16.934  -6.675  -5.751
  141    H    GLN  21           H        GLN  21  11.580  -7.508  -4.192
  142    HA   GLN  21           HA       GLN  21  10.402  -5.166  -5.606
  143   1HB   GLN  21          1HB       GLN  21   8.309  -6.539  -5.311
  144   2HB   GLN  21          2HB       GLN  21   9.368  -6.909  -6.673
  145   1HG   GLN  21          1HG       GLN  21   9.241  -8.474  -4.065
  146   2HG   GLN  21          2HG       GLN  21   8.278  -8.845  -5.491
  147   1HE2  GLN  21          1HE2      GLN  21  10.850  -8.040  -7.201
  148   2HE2  GLN  21          2HE2      GLN  21  11.792  -9.507  -7.114
  149    H    CYS  22           H        CYS  22   9.295  -3.797  -4.322
  150    HA   CYS  22           HA       CYS  22   8.975  -4.405  -1.428
  151   1HB   CYS  22          1HB       CYS  22   9.110  -1.731  -2.819
  152   2HB   CYS  22          2HB       CYS  22   8.813  -1.985  -1.111
  153    H    GLN  23           H        GLN  23   7.030  -4.062  -0.501
  154    HA   GLN  23           HA       GLN  23   4.650  -3.444  -2.125
  155   1HB   GLN  23          1HB       GLN  23   5.140  -5.815  -2.552
  156   2HB   GLN  23          2HB       GLN  23   5.289  -6.139  -0.818
  157   1HG   GLN  23          1HG       GLN  23   2.964  -5.809  -0.431
  158   2HG   GLN  23          2HG       GLN  23   2.729  -5.032  -2.006
  159   1HE2  GLN  23          1HE2      GLN  23   3.006  -6.376  -3.964
  160   2HE2  GLN  23          2HE2      GLN  23   2.609  -8.082  -3.873
  161    H    CYS  24           H        CYS  24   2.751  -3.205  -0.748
  162    HA   CYS  24           HA       CYS  24   3.532  -2.238   1.945
  163   1HB   CYS  24          1HB       CYS  24   1.327  -1.501   0.027
  164   2HB   CYS  24          2HB       CYS  24   1.333  -0.992   1.717
  165    H    THR  25           H        THR  25   2.783  -3.199   3.725
  166    HA   THR  25           HA       THR  25   0.683  -5.316   3.457
  167    HB   THR  25           HB       THR  25   1.742  -6.277   5.483
  168    HG1  THR  25           HG1      THR  25   3.770  -5.490   6.064
  169   1HG2  THR  25          1HG2      THR  25   3.609  -5.871   3.103
  170   2HG2  THR  25          2HG2      THR  25   3.714  -7.163   4.318
  171   3HG2  THR  25          3HG2      THR  25   2.318  -7.085   3.225
  172    H    ASP  26           H        ASP  26   0.886  -2.124   4.392
  173    HA   ASP  26           HA       ASP  26  -0.727  -2.285   6.775
  174   1HB   ASP  26          1HB       ASP  26   0.633  -0.338   6.304
  175   2HB   ASP  26          2HB       ASP  26  -0.279  -0.012   4.812
  176    HD2  ASP  26           HD2      ASP  26  -2.406   2.022   6.626
  177    H    VAL  27           H        VAL  27  -2.900  -1.634   6.886
  178    HA   VAL  27           HA       VAL  27  -4.645  -2.074   4.530
  179    HB   VAL  27           HB       VAL  27  -4.747  -3.718   7.107
  180   1HG1  VAL  27          1HG1      VAL  27  -6.668  -3.465   4.768
  181   2HG1  VAL  27          2HG1      VAL  27  -6.640  -4.897   5.819
  182   3HG1  VAL  27          3HG1      VAL  27  -7.000  -3.299   6.489
  183   1HG2  VAL  27          1HG2      VAL  27  -4.101  -4.481   4.232
  184   2HG2  VAL  27          2HG2      VAL  27  -3.041  -4.622   5.641
  185   3HG2  VAL  27          3HG2      VAL  27  -4.462  -5.656   5.515
  186    H    ARG  28           H        ARG  28  -6.410  -0.722   4.632
  187    HA   ARG  28           HA       ARG  28  -7.284   0.455   7.156
  188   1HB   ARG  28          1HB       ARG  28  -5.044   1.628   6.257
  189   2HB   ARG  28          2HB       ARG  28  -6.187   2.500   5.248
  190   1HG   ARG  28          1HG       ARG  28  -7.485   2.947   7.484
  191   2HG   ARG  28          2HG       ARG  28  -6.107   2.204   8.293
  192   1HD   ARG  28          1HD       ARG  28  -5.822   4.600   8.391
  193   2HD   ARG  28          2HD       ARG  28  -4.596   3.919   7.320
  194    HE   ARG  28           HE       ARG  28  -5.446   5.123   5.582
  195   1HH1  ARG  28          1HH1      ARG  28  -7.958   5.018   8.103
  196   2HH1  ARG  28          2HH1      ARG  28  -9.074   6.002   7.187
  197   1HH2  ARG  28          1HH2      ARG  28  -6.931   6.405   4.422
  198   2HH2  ARG  28          2HH2      ARG  28  -8.507   6.761   5.097
  199    H    GLU  29           H        GLU  29  -8.180   2.849   5.584
  200    HA   GLU  29           HA       GLU  29 -10.813   1.928   5.012
  201   1HB   GLU  29          1HB       GLU  29 -10.156   4.079   6.017
  202   2HB   GLU  29          2HB       GLU  29  -9.411   4.572   4.496
  203   1HG   GLU  29          1HG       GLU  29 -11.695   4.424   3.420
  204   2HG   GLU  29          2HG       GLU  29 -12.355   3.985   5.005
  205    HE2  GLU  29           HE2      GLU  29 -12.986   7.472   4.991
  206    H    LYS  30           H        LYS  30  -9.316   4.088   2.654
  207    HA   LYS  30           HA       LYS  30  -9.557   2.076   0.491
  208   1HB   LYS  30          1HB       LYS  30  -9.343   5.104   0.371
  209   2HB   LYS  30          2HB       LYS  30  -9.514   3.989  -0.993
  210   1HG   LYS  30          1HG       LYS  30 -11.721   3.235   0.128
  211   2HG   LYS  30          2HG       LYS  30 -11.592   4.716   1.083
  212   1HD   LYS  30          1HD       LYS  30 -11.766   4.502  -1.962
  213   2HD   LYS  30          2HD       LYS  30 -13.035   5.013  -0.852
  214   1HE   LYS  30          1HE       LYS  30 -12.264   7.017  -1.745
  215   2HE   LYS  30          2HE       LYS  30 -11.487   6.951  -0.158
  216   1HZ   LYS  30          1HZ       LYS  30 -10.259   6.229  -2.738
  217   2HZ   LYS  30          2HZ       LYS  30 -10.004   7.631  -1.913
  218   3HZ   LYS  30          3HZ       LYS  30  -9.488   6.201  -1.284
  219    H    CYS  31           H        CYS  31  -7.853   2.391  -1.167
  220    HA   CYS  31           HA       CYS  31  -5.153   2.623  -0.083
  221   1HB   CYS  31          1HB       CYS  31  -4.561   1.951  -2.427
  222   2HB   CYS  31          2HB       CYS  31  -5.505   0.801  -1.506
  223    H    HIS  32           H        HIS  32  -3.574   3.807  -1.543
  224    HA   HIS  32           HA       HIS  32  -4.443   6.590  -1.754
  225   1HB   HIS  32          1HB       HIS  32  -2.106   7.111  -2.052
  226   2HB   HIS  32          2HB       HIS  32  -2.457   6.256  -0.586
  227    HD1  HIS  32           HD1      HIS  32  -0.292   6.154  -3.602
  228    HD2  HIS  32           HD2      HIS  32  -1.555   3.578  -0.529
  229    HE1  HIS  32           HE1      HIS  32   1.323   4.173  -3.577
  230    HE2  HIS  32           HE2      HIS  32   0.577   2.591  -1.704
  231    H    SER  33           H        SER  33  -3.305   7.808  -3.561
  232    HA   SER  33           HA       SER  33  -4.697   7.261  -5.947
  233   1HB   SER  33          1HB       SER  33  -4.089   9.508  -5.222
  234   2HB   SER  33          2HB       SER  33  -2.373   9.122  -5.469
  235    HG   SER  33           HG       SER  33  -4.362   9.021  -7.490
  236    H    ALA  34           H        ALA  34  -1.472   6.328  -4.978
  237    HA   ALA  34           HA       ALA  34  -0.770   5.467  -7.760
  238   1HB   ALA  34          1HB       ALA  34   1.093   5.954  -5.415
  239   2HB   ALA  34          2HB       ALA  34   1.521   5.633  -7.108
  240   3HB   ALA  34          3HB       ALA  34   0.712   7.149  -6.670
  241    H    CYS  35           H        CYS  35  -2.594   3.932  -6.396
  242    HA   CYS  35           HA       CYS  35  -1.075   1.391  -6.253
  243   1HB   CYS  35          1HB       CYS  35  -2.976   2.486  -4.230
  244   2HB   CYS  35          2HB       CYS  35  -3.225   0.805  -4.700
  245    H    LYS  36           H        LYS  36  -1.665   0.104  -7.804
  246    HA   LYS  36           HA       LYS  36  -4.209   0.504  -9.290
  247   1HB   LYS  36          1HB       LYS  36  -1.486  -0.705  -9.955
  248   2HB   LYS  36          2HB       LYS  36  -2.918  -0.900 -10.961
  249   1HG   LYS  36          1HG       LYS  36  -3.116   1.605 -11.120
  250   2HG   LYS  36          2HG       LYS  36  -1.614   1.751 -10.184
  251   1HD   LYS  36          1HD       LYS  36  -0.423   0.456 -11.975
  252   2HD   LYS  36          2HD       LYS  36  -1.935   0.409 -12.906
  253   1HE   LYS  36          1HE       LYS  36  -1.971   2.912 -12.931
  254   2HE   LYS  36          2HE       LYS  36  -0.432   2.930 -12.047
  255   1HZ   LYS  36          1HZ       LYS  36  -0.871   1.788 -14.718
  256   2HZ   LYS  36          2HZ       LYS  36  -0.113   3.209 -14.379
  257   3HZ   LYS  36          3HZ       LYS  36   0.561   1.786 -13.899
  258    H    SER  37           H        SER  37  -2.188  -1.835  -7.564
  259    HA   SER  37           HA       SER  37  -4.004  -4.081  -8.062
  260   1HB   SER  37          1HB       SER  37  -2.143  -5.225  -6.879
  261   2HB   SER  37          2HB       SER  37  -1.632  -4.327  -8.318
  262    HG   SER  37           HG       SER  37  -1.451  -3.423  -5.633
  263    H    CYS  38           H        CYS  38  -5.401  -2.425  -6.868
  264    HA   CYS  38           HA       CYS  38  -5.257  -2.613  -3.897
  265   1HB   CYS  38          1HB       CYS  38  -5.231  -0.380  -4.800
  266   2HB   CYS  38          2HB       CYS  38  -6.687  -0.698  -5.754
  267    H    LEU  39           H        LEU  39  -6.796  -3.664  -2.774
  268    HA   LEU  39           HA       LEU  39  -9.333  -4.486  -3.987
  269   1HB   LEU  39          1HB       LEU  39  -7.686  -6.126  -4.868
  270   2HB   LEU  39          2HB       LEU  39  -7.159  -6.471  -3.217
  271    HG   LEU  39           HG       LEU  39  -9.365  -7.438  -2.692
  272   1HD1  LEU  39          1HD1      LEU  39 -10.983  -7.894  -4.529
  273   2HD1  LEU  39          2HD1      LEU  39 -10.856  -6.168  -4.184
  274   3HD1  LEU  39          3HD1      LEU  39 -10.040  -6.846  -5.610
  275   1HD2  LEU  39          1HD2      LEU  39  -9.122  -9.450  -4.050
  276   2HD2  LEU  39          2HD2      LEU  39  -8.190  -8.557  -5.271
  277   3HD2  LEU  39          3HD2      LEU  39  -7.512  -8.821  -3.656
  278    H    CYS  40           H        CYS  40 -10.810  -5.063  -2.438
  279    HA   CYS  40           HA       CYS  40  -9.972  -4.725   0.391
  280   1HB   CYS  40          1HB       CYS  40 -12.702  -3.933  -0.545
  281   2HB   CYS  40          2HB       CYS  40 -11.768  -3.309   0.805
  282    H    THR  41           H        THR  41 -11.228  -5.737   2.020
  283    HA   THR  41           HA       THR  41 -11.984  -8.427   1.084
  284    HB   THR  41           HB       THR  41 -10.426  -8.154   2.967
  285    HG1  THR  41           HG1      THR  41 -12.890  -9.427   3.526
  286   1HG2  THR  41          1HG2      THR  41 -11.374  -6.199   4.108
  287   2HG2  THR  41          2HG2      THR  41 -12.849  -7.100   4.500
  288   3HG2  THR  41          3HG2      THR  41 -11.293  -7.584   5.199
  289    H    ARG  42           H        ARG  42 -13.956  -9.454   1.687
  290    HA   ARG  42           HA       ARG  42 -16.298  -7.660   1.755
  291   1HB   ARG  42          1HB       ARG  42 -16.045 -10.671   1.375
  292   2HB   ARG  42          2HB       ARG  42 -17.508  -9.682   1.169
  293   1HG   ARG  42          1HG       ARG  42 -16.265  -8.349  -0.567
  294   2HG   ARG  42          2HG       ARG  42 -14.965  -9.555  -0.488
  295   1HD   ARG  42          1HD       ARG  42 -17.876 -10.109  -1.252
  296   2HD   ARG  42          2HD       ARG  42 -16.522  -9.958  -2.364
  297    HE   ARG  42           HE       ARG  42 -15.635 -11.993  -1.743
  298   1HH1  ARG  42          1HH1      ARG  42 -18.557 -11.374   0.209
  299   2HH1  ARG  42          2HH1      ARG  42 -18.736 -13.048   0.658
  300   1HH2  ARG  42          1HH2      ARG  42 -15.900 -14.153  -1.128
  301   2HH2  ARG  42          2HH2      ARG  42 -17.223 -14.628  -0.097
  302    H    SER  43           H        SER  43 -14.349  -8.599   4.127
  303    HA   SER  43           HA       SER  43 -16.098  -9.874   5.997
  304   1HB   SER  43          1HB       SER  43 -13.572  -8.245   6.503
  305   2HB   SER  43          2HB       SER  43 -14.306  -9.457   7.556
  306    HG   SER  43           HG       SER  43 -12.836  -9.819   5.213
  307    H    PHE  44           H        PHE  44 -16.241  -8.565   8.244
  308    HA   PHE  44           HA       PHE  44 -17.028  -5.751   7.719
  309   1HB   PHE  44          1HB       PHE  44 -18.987  -7.275   8.059
  310   2HB   PHE  44          2HB       PHE  44 -18.438  -7.509   9.716
  311    HD1  PHE  44           HD1      PHE  44 -18.434  -5.552  11.312
  312    HD2  PHE  44           HD2      PHE  44 -19.967  -5.197   7.293
  313    HE1  PHE  44           HE1      PHE  44 -19.501  -3.391  11.902
  314    HE2  PHE  44           HE2      PHE  44 -21.037  -3.044   7.895
  315    HZ   PHE  44           HZ       PHE  44 -20.803  -2.136  10.196
  316    HA   PRO  45           HA       PRO  45 -16.554  -3.786   8.526
  317   1HB   PRO  45          1HB       PRO  45 -14.441  -2.091   8.720
  318   2HB   PRO  45          2HB       PRO  45 -15.626  -2.346  10.033
  319   1HG   PRO  45          1HG       PRO  45 -12.923  -3.686   9.721
  320   2HG   PRO  45          2HG       PRO  45 -13.567  -2.846  11.163
  321   1HD   PRO  45          1HD       PRO  45 -13.745  -5.553  10.891
  322   2HD   PRO  45          2HD       PRO  45 -15.081  -4.619  11.623
  323    HA   PRO  46           HA       PRO  46 -14.277  -5.108   4.814
  324   1HB   PRO  46          1HB       PRO  46 -15.396  -3.509   2.935
  325   2HB   PRO  46          2HB       PRO  46 -16.313  -4.801   3.754
  326   1HG   PRO  46          1HG       PRO  46 -16.319  -1.846   4.426
  327   2HG   PRO  46          2HG       PRO  46 -17.718  -2.934   4.222
  328   1HD   PRO  46          1HD       PRO  46 -16.637  -2.330   6.677
  329   2HD   PRO  46          2HD       PRO  46 -17.383  -3.916   6.315
  330    H    GLN  47           H        GLN  47 -12.129  -4.539   5.011
  331    HA   GLN  47           HA       GLN  47 -11.303  -1.681   4.811
  332   1HB   GLN  47          1HB       GLN  47 -10.100  -4.144   6.143
  333   2HB   GLN  47          2HB       GLN  47  -9.200  -2.660   5.819
  334   1HG   GLN  47          1HG       GLN  47 -10.938  -1.375   7.137
  335   2HG   GLN  47          2HG       GLN  47 -11.692  -2.921   7.553
  336   1HE2  GLN  47          1HE2      GLN  47  -8.354  -1.497   7.482
  337   2HE2  GLN  47          2HE2      GLN  47  -7.899  -2.078   9.069
  338    H    CYS  48           H        CYS  48  -9.544  -1.172   3.472
  339    HA   CYS  48           HA       CYS  48  -9.125  -3.119   1.284
  340   1HB   CYS  48          1HB       CYS  48 -10.266  -0.776   0.985
  341   2HB   CYS  48          2HB       CYS  48  -8.579  -0.252   0.802
  342    H    ARG  49           H        ARG  49  -7.264  -3.374   0.285
  343    HA   ARG  49           HA       ARG  49  -4.768  -2.605   1.709
  344   1HB   ARG  49          1HB       ARG  49  -5.028  -5.289   0.403
  345   2HB   ARG  49          2HB       ARG  49  -3.942  -4.735   1.666
  346   1HG   ARG  49          1HG       ARG  49  -5.222  -6.154   2.878
  347   2HG   ARG  49          2HG       ARG  49  -6.173  -4.684   3.108
  348   1HD   ARG  49          1HD       ARG  49  -7.586  -6.625   2.618
  349   2HD   ARG  49          2HD       ARG  49  -7.720  -5.422   1.332
  350    HE   ARG  49           HE       ARG  49  -5.644  -7.377   0.806
  351   1HH1  ARG  49          1HH1      ARG  49  -9.150  -6.958   0.655
  352   2HH1  ARG  49          2HH1      ARG  49  -9.363  -8.081  -0.666
  353   1HH2  ARG  49          1HH2      ARG  49  -5.905  -8.785  -0.966
  354   2HH2  ARG  49          2HH2      ARG  49  -7.499  -9.135  -1.583
  355    H    CYS  50           H        CYS  50  -2.845  -2.998   0.250
  356    HA   CYS  50           HA       CYS  50  -3.416  -2.935  -2.656
  357   1HB   CYS  50          1HB       CYS  50  -3.185  -0.606  -2.039
  358   2HB   CYS  50          2HB       CYS  50  -1.681  -0.945  -1.169
  359    H    TYR  51           H        TYR  51  -2.070  -4.112  -3.820
  360    HA   TYR  51           HA       TYR  51   0.099  -5.611  -2.431
  361   1HB   TYR  51          1HB       TYR  51  -2.115  -6.671  -3.272
  362   2HB   TYR  51          2HB       TYR  51  -1.482  -6.450  -4.885
  363    HD1  TYR  51           HD1      TYR  51  -0.001  -8.142  -5.791
  364    HD2  TYR  51           HD2      TYR  51  -0.760  -7.990  -1.548
  365    HE1  TYR  51           HE1      TYR  51   1.244 -10.262  -5.488
  366    HE2  TYR  51           HE2      TYR  51   0.441 -10.135  -1.258
  367    HH   TYR  51           HH       TYR  51   1.662 -11.793  -2.276
  368    H    ASP  52           H        ASP  52   0.756  -3.061  -3.486
  369    HA   ASP  52           HA       ASP  52   1.529  -3.086  -6.193
  370   1HB   ASP  52          1HB       ASP  52   2.767  -1.091  -5.740
  371   2HB   ASP  52          2HB       ASP  52   1.273  -1.038  -4.808
  372    HD2  ASP  52           HD2      ASP  52   3.007  -1.488  -1.711
  373    H    ILE  53           H        ILE  53   3.634  -2.998  -7.139
  374    HA   ILE  53           HA       ILE  53   5.828  -4.491  -5.789
  375    HB   ILE  53           HB       ILE  53   4.719  -4.965  -8.581
  376   1HG1  ILE  53          1HG1      ILE  53   3.435  -6.153  -6.815
  377   2HG1  ILE  53          2HG1      ILE  53   4.251  -7.212  -7.952
  378   1HG2  ILE  53          1HG2      ILE  53   6.553  -6.719  -8.703
  379   2HG2  ILE  53          2HG2      ILE  53   7.117  -5.045  -8.757
  380   3HG2  ILE  53          3HG2      ILE  53   7.256  -5.964  -7.258
  381   1HD1  ILE  53          1HD1      ILE  53   6.014  -7.706  -6.311
  382   2HD1  ILE  53          2HD1      ILE  53   5.263  -6.599  -5.141
  383   3HD1  ILE  53          3HD1      ILE  53   4.411  -8.062  -5.662
  384    H    THR  54           H        THR  54   7.158  -2.749  -5.520
  385    HA   THR  54           HA       THR  54   8.128  -1.441  -8.017
  386    HB   THR  54           HB       THR  54   8.398   0.681  -6.577
  387    HG1  THR  54           HG1      THR  54   7.709  -0.187  -4.606
  388   1HG2  THR  54          1HG2      THR  54   6.889   0.596  -8.505
  389   2HG2  THR  54          2HG2      THR  54   5.603  -0.109  -7.489
  390   3HG2  THR  54          3HG2      THR  54   6.183   1.540  -7.178
  391    H    ASP  55           H        ASP  55  10.284  -0.768  -7.931
  392    HA   ASP  55           HA       ASP  55  12.036  -2.244  -6.170
  393   1HB   ASP  55          1HB       ASP  55  12.507   0.077  -8.088
  394   2HB   ASP  55          2HB       ASP  55  13.777  -0.813  -7.245
  395    HD2  ASP  55           HD2      ASP  55  13.284  -3.801  -9.120
  396    H    PHE  56           H        PHE  56  10.775   1.040  -6.328
  397    HA   PHE  56           HA       PHE  56  12.076   1.849  -3.778
  398   1HB   PHE  56          1HB       PHE  56  11.093   4.057  -4.275
  399   2HB   PHE  56          2HB       PHE  56  12.112   3.481  -5.554
  400    HD1  PHE  56           HD1      PHE  56  11.146   2.795  -7.755
  401    HD2  PHE  56           HD2      PHE  56   8.657   4.342  -4.585
  402    HE1  PHE  56           HE1      PHE  56   9.280   3.102  -9.357
  403    HE2  PHE  56           HE2      PHE  56   6.806   4.649  -6.194
  404    HZ   PHE  56           HZ       PHE  56   7.117   4.051  -8.586
  405    H    CYS  57           H        CYS  57  10.288   3.313  -2.563
  406    HA   CYS  57           HA       CYS  57   7.580   2.404  -2.783
  407   1HB   CYS  57          1HB       CYS  57   8.708   0.687  -1.261
  408   2HB   CYS  57          2HB       CYS  57   8.846   1.967  -0.053
  409    H    TYR  58           H        TYR  58   6.128   3.759  -1.435
  410    HA   TYR  58           HA       TYR  58   7.064   6.479  -1.300
  411   1HB   TYR  58          1HB       TYR  58   4.438   5.141  -0.527
  412   2HB   TYR  58          2HB       TYR  58   4.722   6.875  -0.556
  413    HD1  TYR  58           HD1      TYR  58   4.155   3.892  -2.630
  414    HD2  TYR  58           HD2      TYR  58   5.055   8.110  -2.673
  415    HE1  TYR  58           HE1      TYR  58   3.835   3.937  -5.085
  416    HE2  TYR  58           HE2      TYR  58   4.680   8.161  -5.123
  417    HH   TYR  58           HH       TYR  58   3.936   5.210  -7.005
  418    HA   PRO  59           HA       PRO  59   8.364   6.373   2.914
  419   1HB   PRO  59          1HB       PRO  59   8.092   8.965   3.745
  420   2HB   PRO  59          2HB       PRO  59   9.251   8.473   2.479
  421   1HG   PRO  59          1HG       PRO  59   6.458   9.585   2.083
  422   2HG   PRO  59          2HG       PRO  59   7.978  10.159   1.332
  423   1HD   PRO  59          1HD       PRO  59   6.314   8.448   0.043
  424   2HD   PRO  59          2HD       PRO  59   8.089   8.257  -0.087
  425    H    SER  60           H        SER  60   7.667   6.966   5.222
  426    HA   SER  60           HA       SER  60   5.338   5.649   5.832
  427   1HB   SER  60          1HB       SER  60   5.842   7.270   8.035
  428   2HB   SER  60          2HB       SER  60   6.374   5.615   7.724
  429    HG   SER  60           HG       SER  60   8.108   7.091   8.185
  430    H    CYS  61           H        CYS  61   3.283   6.162   6.080
  431    HA   CYS  61           HA       CYS  61   2.330   8.867   5.447
  432   1HB   CYS  61          1HB       CYS  61   1.244   6.466   4.903
  433   2HB   CYS  61          2HB       CYS  61   0.419   6.784   6.421
  434    H    SER  62           H        SER  62   0.378   9.547   6.935
  435    HA   SER  62           HA       SER  62   1.238   9.747   9.751
  436   1HB   SER  62          1HB       SER  62  -0.773  11.212   9.885
  437   2HB   SER  62          2HB       SER  62   0.418  11.776   8.695
  438    HG   SER  62           HG       SER  62  -1.782  10.125   8.021
  Start of MODEL   11
    1   1H    THR   1          1H        THR   1  -9.146  24.815  -2.133
    2   2H    THR   1          2H        THR   1  -9.550  23.489  -1.237
    3   3H    THR   1          3H        THR   1  -8.304  23.402  -2.304
    4    HA   THR   1           HA       THR   1 -11.108  23.820  -3.001
    5    HB   THR   1           HB       THR   1 -10.403  23.486  -5.315
    6    HG1  THR   1           HG1      THR   1  -7.720  23.635  -4.424
    7   1HG2  THR   1          1HG2      THR   1 -10.450  25.809  -4.412
    8   2HG2  THR   1          2HG2      THR   1  -8.716  25.686  -4.035
    9   3HG2  THR   1          3HG2      THR   1  -9.268  25.591  -5.715
   10    H    LYS   2           H        LYS   2 -11.875  21.904  -4.457
   11    HA   LYS   2           HA       LYS   2 -11.484  19.416  -2.999
   12   1HB   LYS   2          1HB       LYS   2 -12.985  20.005  -5.585
   13   2HB   LYS   2          2HB       LYS   2 -12.997  18.481  -4.681
   14   1HG   LYS   2          1HG       LYS   2 -13.871  19.804  -2.674
   15   2HG   LYS   2          2HG       LYS   2 -14.088  21.176  -3.784
   16   1HD   LYS   2          1HD       LYS   2 -15.518  19.702  -5.241
   17   2HD   LYS   2          2HD       LYS   2 -15.340  18.402  -4.044
   18   1HE   LYS   2          1HE       LYS   2 -16.381  19.899  -2.316
   19   2HE   LYS   2          2HE       LYS   2 -16.629  21.128  -3.572
   20   1HZ   LYS   2          1HZ       LYS   2 -18.582  19.834  -3.245
   21   2HZ   LYS   2          2HZ       LYS   2 -17.984  19.524  -4.747
   22   3HZ   LYS   2          3HZ       LYS   2 -17.780  18.426  -3.536
   23    H    SER   3           H        SER   3  -9.345  18.749  -3.192
   24    HA   SER   3           HA       SER   3  -8.548  17.556  -5.733
   25   1HB   SER   3          1HB       SER   3  -7.780  19.906  -6.006
   26   2HB   SER   3          2HB       SER   3  -6.910  19.800  -4.462
   27    HG   SER   3           HG       SER   3  -5.585  19.399  -6.302
   28    H    THR   4           H        THR   4  -7.060  15.896  -5.412
   29    HA   THR   4           HA       THR   4  -5.550  15.539  -3.009
   30    HB   THR   4           HB       THR   4  -7.729  14.934  -2.062
   31    HG1  THR   4           HG1      THR   4  -6.219  12.601  -2.559
   32   1HG2  THR   4          1HG2      THR   4  -8.895  14.221  -4.170
   33   2HG2  THR   4          2HG2      THR   4  -7.919  12.736  -4.173
   34   3HG2  THR   4          3HG2      THR   4  -9.044  13.059  -2.843
   35    H    THR   5           H        THR   5  -3.979  13.984  -3.300
   36    HA   THR   5           HA       THR   5  -4.087  11.895  -5.233
   37    HB   THR   5           HB       THR   5  -3.810  13.708  -6.853
   38    HG1  THR   5           HG1      THR   5  -2.019  12.881  -7.866
   39   1HG2  THR   5          1HG2      THR   5  -1.825  15.096  -6.966
   40   2HG2  THR   5          2HG2      THR   5  -2.690  15.409  -5.456
   41   3HG2  THR   5          3HG2      THR   5  -1.207  14.435  -5.446
   42    H    THR   6           H        THR   6  -3.697  11.935  -2.519
   43    HA   THR   6           HA       THR   6  -0.975  12.185  -1.706
   44    HB   THR   6           HB       THR   6  -1.775  11.094   0.352
   45    HG1  THR   6           HG1      THR   6  -4.313  11.022  -0.902
   46   1HG2  THR   6          1HG2      THR   6  -3.348  12.848   1.027
   47   2HG2  THR   6          2HG2      THR   6  -2.025  13.527   0.060
   48   3HG2  THR   6          3HG2      THR   6  -3.630  13.290  -0.668
   49    H    ALA   7           H        ALA   7   0.539  10.597  -1.144
   50    HA   ALA   7           HA       ALA   7   0.070   7.788  -1.921
   51   1HB   ALA   7          1HB       ALA   7   2.319   9.434  -3.091
   52   2HB   ALA   7          2HB       ALA   7   2.104   7.673  -3.216
   53   3HB   ALA   7          3HB       ALA   7   0.915   8.763  -3.960
   54    H    CYS   8           H        CYS   8   0.199   7.084   0.132
   55    HA   CYS   8           HA       CYS   8   2.882   7.230   1.443
   56   1HB   CYS   8          1HB       CYS   8   1.956   7.604   3.560
   57   2HB   CYS   8          2HB       CYS   8   1.311   8.847   2.532
   58    H    CYS   9           H        CYS   9   2.640   5.740   3.422
   59    HA   CYS   9           HA       CYS   9   1.089   3.340   3.244
   60   1HB   CYS   9          1HB       CYS   9   2.822   2.946   1.402
   61   2HB   CYS   9          2HB       CYS   9   4.067   3.099   2.643
   62    H    ASP  10           H        ASP  10   1.835   1.851   5.117
   63    HA   ASP  10           HA       ASP  10   3.535   3.292   7.116
   64   1HB   ASP  10          1HB       ASP  10   1.095   3.020   7.736
   65   2HB   ASP  10          2HB       ASP  10   1.371   1.277   7.800
   66    HD2  ASP  10           HD2      ASP  10   3.624   1.630  10.599
   67    H    PHE  11           H        PHE  11   2.369  -0.057   6.454
   68    HA   PHE  11           HA       PHE  11   4.949  -1.220   7.115
   69   1HB   PHE  11          1HB       PHE  11   2.537  -2.474   5.805
   70   2HB   PHE  11          2HB       PHE  11   3.853  -3.315   6.624
   71    HD1  PHE  11           HD1      PHE  11   0.893  -3.715   7.051
   72    HD2  PHE  11           HD2      PHE  11   3.787  -1.253   9.100
   73    HE1  PHE  11           HE1      PHE  11  -0.547  -3.691   9.058
   74    HE2  PHE  11           HE2      PHE  11   2.373  -1.281  11.117
   75    HZ   PHE  11           HZ       PHE  11   0.181  -2.461  11.102
   76    H    CYS  12           H        CYS  12   6.576  -1.008   5.709
   77    HA   CYS  12           HA       CYS  12   6.125  -1.418   2.771
   78   1HB   CYS  12          1HB       CYS  12   8.034   0.379   4.286
   79   2HB   CYS  12          2HB       CYS  12   8.315  -0.110   2.615
   80    HA   PRO  13           HA       PRO  13   9.048  -4.749   4.122
   81   1HB   PRO  13          1HB       PRO  13   7.655  -6.980   3.484
   82   2HB   PRO  13          2HB       PRO  13   7.384  -6.110   5.024
   83   1HG   PRO  13          1HG       PRO  13   5.801  -5.832   2.454
   84   2HG   PRO  13          2HG       PRO  13   5.173  -6.152   4.100
   85   1HD   PRO  13          1HD       PRO  13   5.263  -3.629   3.039
   86   2HD   PRO  13          2HD       PRO  13   5.585  -3.927   4.776
   87    H    CYS  14           H        CYS  14  10.132  -6.220   2.634
   88    HA   CYS  14           HA       CYS  14   9.475  -6.143  -0.189
   89   1HB   CYS  14          1HB       CYS  14  10.639  -4.001   0.162
   90   2HB   CYS  14          2HB       CYS  14  12.034  -4.847   0.859
   91    H    THR  15           H        THR  15  10.901  -7.450  -1.447
   92    HA   THR  15           HA       THR  15  11.789  -9.845   0.070
   93    HB   THR  15           HB       THR  15  11.823 -10.891  -2.178
   94    HG1  THR  15           HG1      THR  15  10.658  -8.468  -3.042
   95   1HG2  THR  15          1HG2      THR  15   9.769 -11.016  -0.794
   96   2HG2  THR  15          2HG2      THR  15   9.175  -9.513  -1.531
   97   3HG2  THR  15          3HG2      THR  15   9.398 -10.962  -2.528
   98    H    ARG  16           H        ARG  16  13.834 -10.828  -0.496
   99    HA   ARG  16           HA       ARG  16  15.959  -8.780  -0.986
  100   1HB   ARG  16          1HB       ARG  16  15.971 -11.425   0.493
  101   2HB   ARG  16          2HB       ARG  16  17.359 -10.328   0.305
  102   1HG   ARG  16          1HG       ARG  16  16.117  -8.529   1.464
  103   2HG   ARG  16          2HG       ARG  16  14.752  -9.623   1.738
  104   1HD   ARG  16          1HD       ARG  16  17.587 -10.068   2.788
  105   2HD   ARG  16          2HD       ARG  16  16.249  -9.380   3.700
  106    HE   ARG  16           HE       ARG  16  15.134 -11.398   3.818
  107   1HH1  ARG  16          1HH1      ARG  16  18.162 -11.854   1.986
  108   2HH1  ARG  16          2HH1      ARG  16  18.123 -13.589   2.154
  109   1HH2  ARG  16          1HH2      ARG  16  15.128 -13.649   4.025
  110   2HH2  ARG  16          2HH2      ARG  16  16.394 -14.612   3.308
  111    H    SER  17           H        SER  17  14.619  -9.843  -3.214
  112    HA   SER  17           HA       SER  17  16.400 -11.837  -4.440
  113   1HB   SER  17          1HB       SER  17  14.547 -11.525  -6.252
  114   2HB   SER  17          2HB       SER  17  14.150 -12.342  -4.740
  115    HG   SER  17           HG       SER  17  12.580 -10.799  -5.210
  116    H    ILE  18           H        ILE  18  16.589 -11.282  -6.891
  117    HA   ILE  18           HA       ILE  18  17.612  -8.514  -7.258
  118    HB   ILE  18           HB       ILE  18  19.344 -10.056  -6.575
  119   1HG1  ILE  18          1HG1      ILE  18  19.968  -8.080  -7.719
  120   2HG1  ILE  18          2HG1      ILE  18  21.027  -9.410  -8.182
  121   1HG2  ILE  18          1HG2      ILE  18  18.561 -12.140  -7.680
  122   2HG2  ILE  18          2HG2      ILE  18  19.198 -11.518  -9.217
  123   3HG2  ILE  18          3HG2      ILE  18  20.281 -11.776  -7.850
  124   1HD1  ILE  18          1HD1      ILE  18  20.554  -8.072 -10.122
  125   2HD1  ILE  18          2HD1      ILE  18  19.734  -9.625 -10.341
  126   3HD1  ILE  18          3HD1      ILE  18  18.813  -8.176  -9.869
  127    HA   PRO  19           HA       PRO  19  16.710  -6.887  -8.299
  128   1HB   PRO  19          1HB       PRO  19  14.394  -5.756  -9.124
  129   2HB   PRO  19          2HB       PRO  19  15.818  -5.920 -10.191
  130   1HG   PRO  19          1HG       PRO  19  13.413  -7.763 -10.034
  131   2HG   PRO  19          2HG       PRO  19  14.134  -7.027 -11.498
  132   1HD   PRO  19          1HD       PRO  19  14.760  -9.557 -10.704
  133   2HD   PRO  19          2HD       PRO  19  16.007  -8.487 -11.408
  134    HA   PRO  20           HA       PRO  20  13.912  -7.895  -4.827
  135   1HB   PRO  20          1HB       PRO  20  13.838  -5.546  -3.495
  136   2HB   PRO  20          2HB       PRO  20  15.311  -6.549  -3.584
  137   1HG   PRO  20          1HG       PRO  20  14.602  -4.135  -5.275
  138   2HG   PRO  20          2HG       PRO  20  16.134  -4.458  -4.412
  139   1HD   PRO  20          1HD       PRO  20  15.806  -5.016  -7.070
  140   2HD   PRO  20          2HD       PRO  20  16.798  -6.062  -6.011
  141    H    GLN  21           H        GLN  21  11.711  -7.909  -4.533
  142    HA   GLN  21           HA       GLN  21   9.993  -5.946  -5.994
  143   1HB   GLN  21          1HB       GLN  21   9.424  -8.747  -4.897
  144   2HB   GLN  21          2HB       GLN  21   8.215  -7.594  -5.410
  145   1HG   GLN  21          1HG       GLN  21   8.345  -8.593  -7.395
  146   2HG   GLN  21          2HG       GLN  21   9.772  -7.589  -7.657
  147   1HE2  GLN  21          1HE2      GLN  21  11.925  -8.620  -7.090
  148   2HE2  GLN  21          2HE2      GLN  21  12.074 -10.348  -7.267
  149    H    CYS  22           H        CYS  22   9.609  -4.283  -4.678
  150    HA   CYS  22           HA       CYS  22   9.148  -4.702  -1.763
  151   1HB   CYS  22          1HB       CYS  22   9.810  -2.179  -3.288
  152   2HB   CYS  22          2HB       CYS  22   9.621  -2.332  -1.546
  153    H    GLN  23           H        GLN  23   7.323  -3.807  -0.779
  154    HA   GLN  23           HA       GLN  23   5.152  -2.853  -2.536
  155   1HB   GLN  23          1HB       GLN  23   3.787  -4.788  -1.741
  156   2HB   GLN  23          2HB       GLN  23   5.086  -5.225  -2.860
  157   1HG   GLN  23          1HG       GLN  23   6.457  -6.069  -1.004
  158   2HG   GLN  23          2HG       GLN  23   5.251  -5.515   0.167
  159   1HE2  GLN  23          1HE2      GLN  23   5.606  -7.623  -2.742
  160   2HE2  GLN  23          2HE2      GLN  23   4.472  -8.843  -2.200
  161    H    CYS  24           H        CYS  24   3.172  -2.441  -1.347
  162    HA   CYS  24           HA       CYS  24   3.656  -1.510   1.452
  163   1HB   CYS  24          1HB       CYS  24   3.134   0.306  -0.091
  164   2HB   CYS  24          2HB       CYS  24   1.667  -0.535  -0.627
  165    H    THR  25           H        THR  25   2.559  -2.544   2.994
  166    HA   THR  25           HA       THR  25   0.357  -4.418   2.199
  167    HB   THR  25           HB       THR  25   1.269  -5.898   3.950
  168    HG1  THR  25           HG1      THR  25   3.348  -5.354   4.767
  169   1HG2  THR  25          1HG2      THR  25   3.406  -5.061   1.936
  170   2HG2  THR  25          2HG2      THR  25   3.228  -6.639   2.730
  171   3HG2  THR  25          3HG2      THR  25   2.007  -6.094   1.565
  172    H    ASP  26           H        ASP  26   0.636  -1.494   3.711
  173    HA   ASP  26           HA       ASP  26  -0.633  -2.086   6.186
  174   1HB   ASP  26          1HB       ASP  26   0.539   0.011   5.758
  175   2HB   ASP  26          2HB       ASP  26  -0.776   0.529   4.677
  176    HD2  ASP  26           HD2      ASP  26  -2.818   1.454   7.337
  177    H    VAL  27           H        VAL  27  -2.655  -1.901   6.837
  178    HA   VAL  27           HA       VAL  27  -4.825  -2.341   4.825
  179    HB   VAL  27           HB       VAL  27  -4.667  -3.354   7.693
  180   1HG1  VAL  27          1HG1      VAL  27  -6.592  -4.779   6.945
  181   2HG1  VAL  27          2HG1      VAL  27  -6.965  -3.051   6.937
  182   3HG1  VAL  27          3HG1      VAL  27  -6.626  -3.892   5.409
  183   1HG2  VAL  27          1HG2      VAL  27  -4.342  -5.586   6.709
  184   2HG2  VAL  27          2HG2      VAL  27  -4.268  -4.883   5.085
  185   3HG2  VAL  27          3HG2      VAL  27  -2.996  -4.529   6.276
  186    H    ARG  28           H        ARG  28  -6.409  -0.806   4.824
  187    HA   ARG  28           HA       ARG  28  -6.957   0.991   7.033
  188   1HB   ARG  28          1HB       ARG  28  -4.669   1.481   5.359
  189   2HB   ARG  28          2HB       ARG  28  -5.852   2.632   4.828
  190   1HG   ARG  28          1HG       ARG  28  -5.018   2.193   7.740
  191   2HG   ARG  28          2HG       ARG  28  -4.297   3.395   6.663
  192   1HD   ARG  28          1HD       ARG  28  -7.239   3.343   7.457
  193   2HD   ARG  28          2HD       ARG  28  -5.985   4.355   8.191
  194    HE   ARG  28           HE       ARG  28  -5.822   4.837   5.446
  195   1HH1  ARG  28          1HH1      ARG  28  -8.193   5.317   8.039
  196   2HH1  ARG  28          2HH1      ARG  28  -8.909   6.726   7.298
  197   1HH2  ARG  28          1HH2      ARG  28  -6.754   6.690   4.487
  198   2HH2  ARG  28          2HH2      ARG  28  -8.074   7.520   5.271
  199    H    GLU  29           H        GLU  29  -7.846   3.158   5.403
  200    HA   GLU  29           HA       GLU  29 -10.208   2.093   4.091
  201   1HB   GLU  29          1HB       GLU  29  -9.718   4.375   5.407
  202   2HB   GLU  29          2HB       GLU  29  -9.289   4.951   3.797
  203   1HG   GLU  29          1HG       GLU  29 -11.601   4.039   3.074
  204   2HG   GLU  29          2HG       GLU  29 -11.917   3.743   4.785
  205    HE2  GLU  29           HE2      GLU  29 -11.679   7.347   5.460
  206    H    LYS  30           H        LYS  30 -10.002   4.138   1.869
  207    HA   LYS  30           HA       LYS  30  -9.325   2.276  -0.069
  208   1HB   LYS  30          1HB       LYS  30  -9.337   5.260  -0.519
  209   2HB   LYS  30          2HB       LYS  30  -9.662   3.983  -1.686
  210   1HG   LYS  30          1HG       LYS  30 -11.689   3.313  -0.339
  211   2HG   LYS  30          2HG       LYS  30 -11.439   4.757   0.664
  212   1HD   LYS  30          1HD       LYS  30 -11.589   6.186  -1.362
  213   2HD   LYS  30          2HD       LYS  30 -11.934   4.739  -2.337
  214   1HE   LYS  30          1HE       LYS  30 -13.958   4.295  -0.976
  215   2HE   LYS  30          2HE       LYS  30 -13.609   5.717   0.026
  216   1HZ   LYS  30          1HZ       LYS  30 -14.163   5.773  -2.857
  217   2HZ   LYS  30          2HZ       LYS  30 -15.231   6.164  -1.665
  218   3HZ   LYS  30          3HZ       LYS  30 -13.884   7.083  -1.896
  219    H    CYS  31           H        CYS  31  -7.757   2.237  -1.662
  220    HA   CYS  31           HA       CYS  31  -5.064   2.507  -0.696
  221   1HB   CYS  31          1HB       CYS  31  -4.592   1.691  -3.108
  222   2HB   CYS  31          2HB       CYS  31  -5.267   0.621  -1.887
  223    H    HIS  32           H        HIS  32  -3.378   3.650  -1.624
  224    HA   HIS  32           HA       HIS  32  -4.147   6.369  -2.034
  225   1HB   HIS  32          1HB       HIS  32  -1.815   6.878  -1.959
  226   2HB   HIS  32          2HB       HIS  32  -2.338   5.916  -0.626
  227    HD1  HIS  32           HD1      HIS  32   0.092   5.981  -3.479
  228    HD2  HIS  32           HD2      HIS  32  -1.305   3.305  -0.558
  229    HE1  HIS  32           HE1      HIS  32   1.702   4.006  -3.448
  230    HE2  HIS  32           HE2      HIS  32   0.859   2.341  -1.680
  231    H    SER  33           H        SER  33  -2.867   7.759  -3.536
  232    HA   SER  33           HA       SER  33  -3.938   7.413  -6.117
  233   1HB   SER  33          1HB       SER  33  -3.437   9.573  -5.008
  234   2HB   SER  33          2HB       SER  33  -1.708   9.270  -5.295
  235    HG   SER  33           HG       SER  33  -2.646  10.560  -6.928
  236    H    ALA  34           H        ALA  34  -0.793   6.579  -4.843
  237    HA   ALA  34           HA       ALA  34   0.228   5.834  -7.557
  238   1HB   ALA  34          1HB       ALA  34   1.770   6.183  -4.967
  239   2HB   ALA  34          2HB       ALA  34   2.414   6.011  -6.615
  240   3HB   ALA  34          3HB       ALA  34   1.528   7.478  -6.162
  241    H    CYS  35           H        CYS  35  -1.719   4.200  -6.241
  242    HA   CYS  35           HA       CYS  35  -0.168   1.705  -5.742
  243   1HB   CYS  35          1HB       CYS  35  -1.505   2.507  -3.815
  244   2HB   CYS  35          2HB       CYS  35  -2.961   2.437  -4.806
  245    H    LYS  36           H        LYS  36  -0.609   0.038  -7.133
  246    HA   LYS  36           HA       LYS  36  -2.138   0.768  -9.569
  247   1HB   LYS  36          1HB       LYS  36   0.311   0.365  -9.624
  248   2HB   LYS  36          2HB       LYS  36   0.050  -1.301  -9.110
  249   1HG   LYS  36          1HG       LYS  36  -1.405  -1.670 -11.123
  250   2HG   LYS  36          2HG       LYS  36  -1.035  -0.027 -11.669
  251   1HD   LYS  36          1HD       LYS  36   1.029  -2.229 -11.174
  252   2HD   LYS  36          2HD       LYS  36   0.314  -1.846 -12.750
  253   1HE   LYS  36          1HE       LYS  36   1.224   0.468 -12.607
  254   2HE   LYS  36          2HE       LYS  36   2.016   0.056 -11.071
  255   1HZ   LYS  36          1HZ       LYS  36   3.486  -0.133 -12.930
  256   2HZ   LYS  36          2HZ       LYS  36   3.272  -1.597 -12.205
  257   3HZ   LYS  36          3HZ       LYS  36   2.521  -1.266 -13.637
  258    H    SER  37           H        SER  37  -1.341  -2.054  -7.588
  259    HA   SER  37           HA       SER  37  -3.927  -3.379  -8.323
  260   1HB   SER  37          1HB       SER  37  -1.824  -4.650  -8.799
  261   2HB   SER  37          2HB       SER  37  -1.428  -4.590  -7.079
  262    HG   SER  37           HG       SER  37  -3.720  -5.759  -8.293
  263    H    CYS  38           H        CYS  38  -5.383  -3.781  -6.713
  264    HA   CYS  38           HA       CYS  38  -4.810  -3.143  -3.897
  265   1HB   CYS  38          1HB       CYS  38  -5.115  -0.991  -4.975
  266   2HB   CYS  38          2HB       CYS  38  -6.597  -1.529  -5.761
  267    H    LEU  39           H        LEU  39  -6.353  -3.998  -2.504
  268    HA   LEU  39           HA       LEU  39  -8.716  -5.395  -3.547
  269   1HB   LEU  39          1HB       LEU  39  -6.840  -6.983  -3.909
  270   2HB   LEU  39          2HB       LEU  39  -6.353  -6.783  -2.221
  271    HG   LEU  39           HG       LEU  39  -8.476  -7.849  -1.475
  272   1HD1  LEU  39          1HD1      LEU  39  -8.941  -8.302  -4.464
  273   2HD1  LEU  39          2HD1      LEU  39  -9.863  -9.058  -3.147
  274   3HD1  LEU  39          3HD1      LEU  39  -9.960  -7.314  -3.399
  275   1HD2  LEU  39          1HD2      LEU  39  -6.423  -9.160  -1.796
  276   2HD2  LEU  39          2HD2      LEU  39  -7.873 -10.113  -2.150
  277   3HD2  LEU  39          3HD2      LEU  39  -6.883  -9.479  -3.483
  278    H    CYS  40           H        CYS  40 -10.152  -6.014  -1.831
  279    HA   CYS  40           HA       CYS  40  -9.498  -4.973   0.864
  280   1HB   CYS  40          1HB       CYS  40 -12.181  -4.602  -0.503
  281   2HB   CYS  40          2HB       CYS  40 -11.651  -3.885   1.013
  282    H    THR  41           H        THR  41 -11.013  -5.708   2.538
  283    HA   THR  41           HA       THR  41 -11.294  -8.610   2.296
  284    HB   THR  41           HB       THR  41 -11.828  -8.464   4.699
  285    HG1  THR  41           HG1      THR  41 -11.922  -6.534   5.705
  286   1HG2  THR  41          1HG2      THR  41  -9.374  -6.795   4.024
  287   2HG2  THR  41          2HG2      THR  41  -9.658  -7.764   5.485
  288   3HG2  THR  41          3HG2      THR  41  -9.454  -8.569   3.914
  289    H    ARG  42           H        ARG  42 -13.207  -9.720   2.911
  290    HA   ARG  42           HA       ARG  42 -15.726  -8.406   2.080
  291   1HB   ARG  42          1HB       ARG  42 -16.584 -10.616   1.842
  292   2HB   ARG  42          2HB       ARG  42 -15.059 -10.474   0.960
  293   1HG   ARG  42          1HG       ARG  42 -13.898 -11.662   2.807
  294   2HG   ARG  42          2HG       ARG  42 -15.447 -11.795   3.677
  295   1HD   ARG  42          1HD       ARG  42 -16.400 -13.052   1.769
  296   2HD   ARG  42          2HD       ARG  42 -14.833 -12.969   0.932
  297    HE   ARG  42           HE       ARG  42 -14.256 -14.078   3.406
  298   1HH1  ARG  42          1HH1      ARG  42 -16.392 -14.955   0.702
  299   2HH1  ARG  42          2HH1      ARG  42 -16.275 -16.668   1.006
  300   1HH2  ARG  42          1HH2      ARG  42 -14.102 -16.332   3.774
  301   2HH2  ARG  42          2HH2      ARG  42 -14.963 -17.453   2.752
  302    H    SER  43           H        SER  43 -14.166  -8.282   4.887
  303    HA   SER  43           HA       SER  43 -15.995  -9.494   6.716
  304   1HB   SER  43          1HB       SER  43 -14.511  -8.224   8.363
  305   2HB   SER  43          2HB       SER  43 -13.719  -9.373   7.309
  306    HG   SER  43           HG       SER  43 -13.834  -6.548   7.028
  307    H    PHE  44           H        PHE  44 -16.537  -7.951   8.625
  308    HA   PHE  44           HA       PHE  44 -17.810  -5.434   7.678
  309   1HB   PHE  44          1HB       PHE  44 -19.508  -7.183   7.809
  310   2HB   PHE  44          2HB       PHE  44 -19.122  -7.455   9.505
  311    HD1  PHE  44           HD1      PHE  44 -20.064  -6.015  11.211
  312    HD2  PHE  44           HD2      PHE  44 -20.357  -4.911   7.050
  313    HE1  PHE  44           HE1      PHE  44 -21.545  -4.120  11.813
  314    HE2  PHE  44           HE2      PHE  44 -21.830  -3.011   7.662
  315    HZ   PHE  44           HZ       PHE  44 -22.404  -2.597  10.045
  316    HA   PRO  45           HA       PRO  45 -17.341  -3.372   8.105
  317   1HB   PRO  45          1HB       PRO  45 -15.236  -1.662   8.350
  318   2HB   PRO  45          2HB       PRO  45 -16.660  -1.626   9.429
  319   1HG   PRO  45          1HG       PRO  45 -14.010  -3.009   9.936
  320   2HG   PRO  45          2HG       PRO  45 -14.870  -1.868  11.015
  321   1HD   PRO  45          1HD       PRO  45 -15.128  -4.558  11.320
  322   2HD   PRO  45          2HD       PRO  45 -16.544  -3.487  11.525
  323    HA   PRO  46           HA       PRO  46 -14.278  -5.140   5.192
  324   1HB   PRO  46          1HB       PRO  46 -14.709  -3.623   2.999
  325   2HB   PRO  46          2HB       PRO  46 -15.958  -4.751   3.601
  326   1HG   PRO  46          1HG       PRO  46 -15.757  -1.772   4.148
  327   2HG   PRO  46          2HG       PRO  46 -17.181  -2.674   3.552
  328   1HD   PRO  46          1HD       PRO  46 -16.809  -2.078   6.201
  329   2HD   PRO  46          2HD       PRO  46 -17.583  -3.610   5.688
  330    H    GLN  47           H        GLN  47 -12.184  -4.505   4.378
  331    HA   GLN  47           HA       GLN  47 -11.215  -1.792   4.998
  332   1HB   GLN  47          1HB       GLN  47 -11.095  -3.690   6.976
  333   2HB   GLN  47          2HB       GLN  47  -9.629  -4.105   6.098
  334   1HG   GLN  47          1HG       GLN  47  -9.134  -2.549   7.901
  335   2HG   GLN  47          2HG       GLN  47  -8.829  -1.772   6.340
  336   1HE2  GLN  47          1HE2      GLN  47 -11.801  -2.281   8.378
  337   2HE2  GLN  47          2HE2      GLN  47 -12.258  -0.592   8.409
  338    H    CYS  48           H        CYS  48  -9.542  -1.178   3.676
  339    HA   CYS  48           HA       CYS  48  -9.021  -3.032   1.428
  340   1HB   CYS  48          1HB       CYS  48  -9.244  -0.050   1.672
  341   2HB   CYS  48          2HB       CYS  48  -8.613  -0.843   0.231
  342    H    ARG  49           H        ARG  49  -7.031  -2.900   0.301
  343    HA   ARG  49           HA       ARG  49  -4.619  -2.047   1.781
  344   1HB   ARG  49          1HB       ARG  49  -5.389  -4.241   2.703
  345   2HB   ARG  49          2HB       ARG  49  -5.209  -4.930   1.089
  346   1HG   ARG  49          1HG       ARG  49  -2.675  -3.926   1.447
  347   2HG   ARG  49          2HG       ARG  49  -3.172  -4.038   3.129
  348   1HD   ARG  49          1HD       ARG  49  -2.038  -6.027   2.539
  349   2HD   ARG  49          2HD       ARG  49  -3.743  -6.447   2.723
  350    HE   ARG  49           HE       ARG  49  -2.202  -6.042   0.162
  351   1HH1  ARG  49          1HH1      ARG  49  -5.103  -7.444   1.706
  352   2HH1  ARG  49          2HH1      ARG  49  -5.576  -8.307   0.269
  353   1HH2  ARG  49          1HH2      ARG  49  -2.842  -7.182  -1.663
  354   2HH2  ARG  49          2HH2      ARG  49  -4.286  -8.161  -1.660
  355    H    CYS  50           H        CYS  50  -2.778  -2.175   0.474
  356    HA   CYS  50           HA       CYS  50  -3.221  -2.172  -2.451
  357   1HB   CYS  50          1HB       CYS  50  -1.108  -1.117  -0.575
  358   2HB   CYS  50          2HB       CYS  50  -0.694  -1.445  -2.251
  359    H    TYR  51           H        TYR  51  -2.012  -3.380  -3.830
  360    HA   TYR  51           HA       TYR  51  -0.297  -5.572  -2.806
  361   1HB   TYR  51          1HB       TYR  51  -2.697  -6.279  -3.502
  362   2HB   TYR  51          2HB       TYR  51  -2.250  -5.829  -5.121
  363    HD1  TYR  51           HD1      TYR  51  -1.406  -7.550  -6.520
  364    HD2  TYR  51           HD2      TYR  51  -0.952  -7.918  -2.244
  365    HE1  TYR  51           HE1      TYR  51  -0.532  -9.847  -6.806
  366    HE2  TYR  51           HE2      TYR  51  -0.094 -10.218  -2.536
  367    HH   TYR  51           HH       TYR  51   0.458 -11.887  -4.036
  368    H    ASP  52           H        ASP  52   0.034  -2.756  -3.952
  369    HA   ASP  52           HA       ASP  52   0.955  -2.894  -6.635
  370   1HB   ASP  52          1HB       ASP  52   0.212  -0.836  -5.496
  371   2HB   ASP  52          2HB       ASP  52   1.565  -0.950  -4.364
  372    HD2  ASP  52           HD2      ASP  52   3.255   1.213  -6.473
  373    H    ILE  53           H        ILE  53   2.837  -3.708  -7.410
  374    HA   ILE  53           HA       ILE  53   5.101  -4.250  -5.537
  375    HB   ILE  53           HB       ILE  53   4.554  -5.502  -8.249
  376   1HG1  ILE  53          1HG1      ILE  53   2.782  -6.284  -6.843
  377   2HG1  ILE  53          2HG1      ILE  53   3.972  -7.566  -7.028
  378   1HG2  ILE  53          1HG2      ILE  53   6.280  -7.139  -7.458
  379   2HG2  ILE  53          2HG2      ILE  53   6.910  -5.504  -7.680
  380   3HG2  ILE  53          3HG2      ILE  53   6.571  -6.096  -6.048
  381   1HD1  ILE  53          1HD1      ILE  53   3.613  -5.792  -4.579
  382   2HD1  ILE  53          2HD1      ILE  53   3.191  -7.499  -4.733
  383   3HD1  ILE  53          3HD1      ILE  53   4.895  -7.012  -4.767
  384    H    THR  54           H        THR  54   6.762  -2.924  -5.723
  385    HA   THR  54           HA       THR  54   7.552  -1.773  -8.325
  386    HB   THR  54           HB       THR  54   7.969   0.427  -7.013
  387    HG1  THR  54           HG1      THR  54   7.523  -0.445  -4.930
  388   1HG2  THR  54          1HG2      THR  54   6.200   0.244  -8.724
  389   2HG2  THR  54          2HG2      THR  54   5.071  -0.358  -7.485
  390   3HG2  THR  54          3HG2      THR  54   5.727   1.283  -7.366
  391    H    ASP  55           H        ASP  55   9.778  -0.532  -7.808
  392    HA   ASP  55           HA       ASP  55  11.549  -2.487  -6.531
  393   1HB   ASP  55          1HB       ASP  55  12.057  -1.224  -8.655
  394   2HB   ASP  55          2HB       ASP  55  12.217   0.245  -7.685
  395    HD2  ASP  55           HD2      ASP  55  15.011  -2.711  -7.447
  396    H    PHE  56           H        PHE  56   9.628   0.090  -5.445
  397    HA   PHE  56           HA       PHE  56  11.267   0.641  -3.021
  398   1HB   PHE  56          1HB       PHE  56  10.617   3.055  -3.394
  399   2HB   PHE  56          2HB       PHE  56  11.699   2.399  -4.585
  400    HD1  PHE  56           HD1      PHE  56  11.046   2.184  -6.922
  401    HD2  PHE  56           HD2      PHE  56   8.185   3.474  -3.960
  402    HE1  PHE  56           HE1      PHE  56   9.437   2.758  -8.719
  403    HE2  PHE  56           HE2      PHE  56   6.576   4.000  -5.760
  404    HZ   PHE  56           HZ       PHE  56   7.196   3.667  -8.138
  405    H    CYS  57           H        CYS  57   9.692   2.353  -1.786
  406    HA   CYS  57           HA       CYS  57   6.862   1.716  -1.895
  407   1HB   CYS  57          1HB       CYS  57   7.827  -0.100  -0.489
  408   2HB   CYS  57          2HB       CYS  57   8.459   1.113   0.622
  409    H    TYR  58           H        TYR  58   5.640   3.290  -0.652
  410    HA   TYR  58           HA       TYR  58   6.941   5.877  -0.670
  411   1HB   TYR  58          1HB       TYR  58   4.105   4.913  -0.155
  412   2HB   TYR  58          2HB       TYR  58   4.574   6.601  -0.068
  413    HD1  TYR  58           HD1      TYR  58   5.175   7.901  -2.047
  414    HD2  TYR  58           HD2      TYR  58   4.069   3.744  -2.356
  415    HE1  TYR  58           HE1      TYR  58   5.254   8.063  -4.515
  416    HE2  TYR  58           HE2      TYR  58   4.137   3.915  -4.828
  417    HH   TYR  58           HH       TYR  58   5.217   6.896  -6.503
  418    HA   PRO  59           HA       PRO  59   8.002   6.062   3.548
  419   1HB   PRO  59          1HB       PRO  59   7.842   8.728   4.202
  420   2HB   PRO  59          2HB       PRO  59   9.035   8.064   3.052
  421   1HG   PRO  59          1HG       PRO  59   6.358   9.328   2.411
  422   2HG   PRO  59          2HG       PRO  59   7.953   9.728   1.704
  423   1HD   PRO  59          1HD       PRO  59   6.238   8.056   0.447
  424   2HD   PRO  59          2HD       PRO  59   7.990   7.705   0.451
  425    H    SER  60           H        SER  60   7.320   6.943   5.805
  426    HA   SER  60           HA       SER  60   4.963   5.679   6.442
  427   1HB   SER  60          1HB       SER  60   5.352   7.073   8.650
  428   2HB   SER  60          2HB       SER  60   6.314   5.678   8.171
  429    HG   SER  60           HG       SER  60   6.946   8.414   7.661
  430    H    CYS  61           H        CYS  61   2.989   6.222   6.697
  431    HA   CYS  61           HA       CYS  61   1.980   8.859   5.905
  432   1HB   CYS  61          1HB       CYS  61   1.042   6.404   5.426
  433   2HB   CYS  61          2HB       CYS  61   0.157   6.688   6.913
  434    H    SER  62           H        SER  62  -0.029   9.592   7.229
  435    HA   SER  62           HA       SER  62   0.642  10.024  10.057
  436   1HB   SER  62          1HB       SER  62  -1.458  11.355  10.006
  437   2HB   SER  62          2HB       SER  62  -0.289  11.875   8.777
  438    HG   SER  62           HG       SER  62  -2.371  10.030   8.264
  Start of MODEL   12
    1   1H    THR   1          1H        THR   1   3.694  20.571   9.423
    2   2H    THR   1          2H        THR   1   4.907  19.842   8.565
    3   3H    THR   1          3H        THR   1   3.776  20.749   7.782
    4    HA   THR   1           HA       THR   1   3.216  18.261   9.202
    5    HB   THR   1           HB       THR   1   1.023  18.421   8.065
    6    HG1  THR   1           HG1      THR   1   0.482  20.390   7.090
    7   1HG2  THR   1          1HG2      THR   1   1.261  19.265  10.394
    8   2HG2  THR   1          2HG2      THR   1   1.612  20.891   9.762
    9   3HG2  THR   1          3HG2      THR   1   0.031  20.147   9.470
   10    H    LYS   2           H        LYS   2   2.465  16.520   7.652
   11    HA   LYS   2           HA       LYS   2   4.296  16.174   5.452
   12   1HB   LYS   2          1HB       LYS   2   2.972  14.418   6.970
   13   2HB   LYS   2          2HB       LYS   2   1.724  14.616   5.745
   14   1HG   LYS   2          1HG       LYS   2   3.708  14.074   4.039
   15   2HG   LYS   2          2HG       LYS   2   4.592  13.644   5.492
   16   1HD   LYS   2          1HD       LYS   2   3.836  11.622   4.809
   17   2HD   LYS   2          2HD       LYS   2   2.540  12.027   5.942
   18   1HE   LYS   2          1HE       LYS   2   2.493  12.402   2.889
   19   2HE   LYS   2          2HE       LYS   2   1.773  11.039   3.749
   20   1HZ   LYS   2          1HZ       LYS   2   0.950  13.841   4.046
   21   2HZ   LYS   2          2HZ       LYS   2   0.166  12.695   3.185
   22   3HZ   LYS   2          3HZ       LYS   2   0.285  12.547   4.825
   23    H    SER   3           H        SER   3   3.408  15.705   3.181
   24    HA   SER   3           HA       SER   3   1.721  17.668   2.007
   25   1HB   SER   3          1HB       SER   3   1.812  16.055   0.084
   26   2HB   SER   3          2HB       SER   3   3.407  16.368   0.780
   27    HG   SER   3           HG       SER   3   2.735  14.071   0.407
   28    H    THR   4           H        THR   4  -0.203  16.543   0.553
   29    HA   THR   4           HA       THR   4  -2.311  15.820   2.432
   30    HB   THR   4           HB       THR   4  -3.719  15.979   0.402
   31    HG1  THR   4           HG1      THR   4  -2.668  16.515  -1.549
   32   1HG2  THR   4          1HG2      THR   4  -1.747  18.286   0.599
   33   2HG2  THR   4          2HG2      THR   4  -3.370  18.316  -0.111
   34   3HG2  THR   4          3HG2      THR   4  -3.174  18.036   1.628
   35    H    THR   5           H        THR   5  -3.659  14.075   0.408
   36    HA   THR   5           HA       THR   5  -2.612  11.526   1.339
   37    HB   THR   5           HB       THR   5  -4.968  11.896   1.388
   38    HG1  THR   5           HG1      THR   5  -4.227  10.052  -0.617
   39   1HG2  THR   5          1HG2      THR   5  -5.341  13.483  -0.460
   40   2HG2  THR   5          2HG2      THR   5  -4.944  12.226  -1.650
   41   3HG2  THR   5          3HG2      THR   5  -6.370  12.057  -0.616
   42    H    THR   6           H        THR   6  -0.537  12.421   0.048
   43    HA   THR   6           HA       THR   6  -0.343  11.668  -2.744
   44    HB   THR   6           HB       THR   6   2.068  11.970  -2.284
   45    HG1  THR   6           HG1      THR   6   1.965  11.237  -0.081
   46   1HG2  THR   6          1HG2      THR   6   0.346  14.210  -1.132
   47   2HG2  THR   6          2HG2      THR   6   1.998  14.354  -1.767
   48   3HG2  THR   6          3HG2      THR   6   0.668  13.927  -2.857
   49    H    ALA   7           H        ALA   7   1.461  10.044  -3.281
   50    HA   ALA   7           HA       ALA   7   0.720   7.408  -2.622
   51   1HB   ALA   7          1HB       ALA   7   2.767   6.751  -3.733
   52   2HB   ALA   7          2HB       ALA   7   1.995   8.094  -4.613
   53   3HB   ALA   7          3HB       ALA   7   3.420   8.401  -3.602
   54    H    CYS   8           H        CYS   8   0.886   6.391  -0.701
   55    HA   CYS   8           HA       CYS   8   3.211   6.788   1.076
   56   1HB   CYS   8          1HB       CYS   8   1.859   7.510   2.919
   57   2HB   CYS   8          2HB       CYS   8   1.552   8.595   1.599
   58    H    CYS   9           H        CYS   9   2.298   5.644   3.244
   59    HA   CYS   9           HA       CYS   9   0.980   3.108   2.968
   60   1HB   CYS   9          1HB       CYS   9   3.196   2.819   1.644
   61   2HB   CYS   9          2HB       CYS   9   4.012   2.987   3.194
   62    H    ASP  10           H        ASP  10   1.877   1.778   5.101
   63    HA   ASP  10           HA       ASP  10   2.182   3.735   7.350
   64   1HB   ASP  10          1HB       ASP  10   0.082   2.363   7.263
   65   2HB   ASP  10          2HB       ASP  10   1.064   0.909   7.517
   66    HD2  ASP  10           HD2      ASP  10   1.937   2.032  10.851
   67    H    PHE  11           H        PHE  11   2.970   0.410   6.246
   68    HA   PHE  11           HA       PHE  11   5.777   1.050   6.382
   69   1HB   PHE  11          1HB       PHE  11   5.601   0.161   8.623
   70   2HB   PHE  11          2HB       PHE  11   4.631  -1.205   8.064
   71    HD1  PHE  11           HD1      PHE  11   5.789  -3.253   8.035
   72    HD2  PHE  11           HD2      PHE  11   7.980   0.376   7.240
   73    HE1  PHE  11           HE1      PHE  11   7.820  -4.580   7.565
   74    HE2  PHE  11           HE2      PHE  11   9.993  -0.965   6.698
   75    HZ   PHE  11           HZ       PHE  11   9.912  -3.446   6.835
   76    H    CYS  12           H        CYS  12   6.956  -0.166   4.930
   77    HA   CYS  12           HA       CYS  12   5.507  -2.081   3.241
   78   1HB   CYS  12          1HB       CYS  12   6.886  -0.739   1.355
   79   2HB   CYS  12          2HB       CYS  12   5.216  -0.459   1.786
   80    HA   PRO  13           HA       PRO  13   9.624  -3.892   3.997
   81   1HB   PRO  13          1HB       PRO  13   8.903  -6.520   3.998
   82   2HB   PRO  13          2HB       PRO  13   8.624  -5.455   5.401
   83   1HG   PRO  13          1HG       PRO  13   6.654  -6.196   3.224
   84   2HG   PRO  13          2HG       PRO  13   6.402  -6.262   4.993
   85   1HD   PRO  13          1HD       PRO  13   5.574  -4.184   3.461
   86   2HD   PRO  13          2HD       PRO  13   6.178  -3.907   5.122
   87    H    CYS  14           H        CYS  14  10.881  -5.411   2.645
   88    HA   CYS  14           HA       CYS  14   9.899  -5.693  -0.133
   89   1HB   CYS  14          1HB       CYS  14  12.683  -4.861   0.728
   90   2HB   CYS  14          2HB       CYS  14  12.147  -5.090  -0.925
   91    H    THR  15           H        THR  15  10.891  -7.324  -1.324
   92    HA   THR  15           HA       THR  15  11.346  -9.770   0.226
   93    HB   THR  15           HB       THR  15  11.132 -10.800  -2.054
   94    HG1  THR  15           HG1      THR  15  10.518  -8.149  -2.861
   95   1HG2  THR  15          1HG2      THR  15   9.121 -10.500  -0.634
   96   2HG2  THR  15          2HG2      THR  15   8.860  -8.886  -1.331
   97   3HG2  THR  15          3HG2      THR  15   8.738 -10.328  -2.356
   98    H    ARG  16           H        ARG  16  13.128 -11.201  -0.365
   99    HA   ARG  16           HA       ARG  16  15.654  -9.700  -0.935
  100   1HB   ARG  16          1HB       ARG  16  15.122 -12.311   0.517
  101   2HB   ARG  16          2HB       ARG  16  16.708 -11.546   0.284
  102   1HG   ARG  16          1HG       ARG  16  15.953  -9.562   1.559
  103   2HG   ARG  16          2HG       ARG  16  14.390 -10.338   1.861
  104   1HD   ARG  16          1HD       ARG  16  17.101 -11.411   2.780
  105   2HD   ARG  16          2HD       ARG  16  15.942 -10.532   3.768
  106    HE   ARG  16           HE       ARG  16  14.473 -12.310   3.835
  107   1HH1  ARG  16          1HH1      ARG  16  17.290 -13.216   1.843
  108   2HH1  ARG  16          2HH1      ARG  16  16.948 -14.922   1.949
  109   1HH2  ARG  16          1HH2      ARG  16  14.055 -14.533   3.936
  110   2HH2  ARG  16          2HH2      ARG  16  15.099 -15.671   3.127
  111    H    SER  17           H        SER  17  13.877 -10.541  -3.069
  112    HA   SER  17           HA       SER  17  15.202 -12.802  -4.389
  113   1HB   SER  17          1HB       SER  17  13.394 -12.073  -6.139
  114   2HB   SER  17          2HB       SER  17  12.892 -12.851  -4.636
  115    HG   SER  17           HG       SER  17  11.660 -10.987  -5.074
  116    H    ILE  18           H        ILE  18  15.466 -12.298  -6.809
  117    HA   ILE  18           HA       ILE  18  17.072  -9.834  -7.200
  118    HB   ILE  18           HB       ILE  18  18.503 -11.598  -6.590
  119   1HG1  ILE  18          1HG1      ILE  18  20.017 -11.751  -8.501
  120   2HG1  ILE  18          2HG1      ILE  18  18.737 -11.256  -9.615
  121   1HG2  ILE  18          1HG2      ILE  18  17.490 -13.388  -8.824
  122   2HG2  ILE  18          2HG2      ILE  18  18.824 -13.691  -7.718
  123   3HG2  ILE  18          3HG2      ILE  18  17.180 -13.601  -7.089
  124   1HD1  ILE  18          1HD1      ILE  18  19.706  -9.533  -7.290
  125   2HD1  ILE  18          2HD1      ILE  18  20.379  -9.445  -8.930
  126   3HD1  ILE  18          3HD1      ILE  18  18.681  -9.031  -8.658
  127    HA   PRO  19           HA       PRO  19  16.521  -8.021  -8.201
  128   1HB   PRO  19          1HB       PRO  19  14.566  -6.375  -9.060
  129   2HB   PRO  19          2HB       PRO  19  15.919  -6.892 -10.107
  130   1HG   PRO  19          1HG       PRO  19  13.136  -8.098  -9.986
  131   2HG   PRO  19          2HG       PRO  19  14.029  -7.555 -11.436
  132   1HD   PRO  19          1HD       PRO  19  14.038 -10.162 -10.646
  133   2HD   PRO  19          2HD       PRO  19  15.508  -9.407 -11.324
  134    HA   PRO  20           HA       PRO  20  13.562  -8.406  -4.774
  135   1HB   PRO  20          1HB       PRO  20  14.169  -6.260  -3.268
  136   2HB   PRO  20          2HB       PRO  20  15.346  -7.579  -3.535
  137   1HG   PRO  20          1HG       PRO  20  15.187  -4.937  -5.018
  138   2HG   PRO  20          2HG       PRO  20  16.623  -5.681  -4.256
  139   1HD   PRO  20          1HD       PRO  20  16.051  -5.960  -6.930
  140   2HD   PRO  20          2HD       PRO  20  16.831  -7.266  -5.985
  141    H    GLN  21           H        GLN  21  11.453  -7.820  -4.460
  142    HA   GLN  21           HA       GLN  21  10.374  -5.355  -5.762
  143   1HB   GLN  21          1HB       GLN  21   9.064  -7.972  -4.892
  144   2HB   GLN  21          2HB       GLN  21   8.225  -6.558  -5.514
  145   1HG   GLN  21          1HG       GLN  21   8.517  -7.305  -7.599
  146   2HG   GLN  21          2HG       GLN  21  10.252  -7.057  -7.438
  147   1HE2  GLN  21          1HE2      GLN  21  11.607  -8.907  -6.817
  148   2HE2  GLN  21          2HE2      GLN  21  11.002 -10.528  -7.065
  149    H    CYS  22           H        CYS  22   8.731  -4.237  -4.516
  150    HA   CYS  22           HA       CYS  22   8.865  -4.557  -1.567
  151   1HB   CYS  22          1HB       CYS  22   9.090  -1.983  -3.112
  152   2HB   CYS  22          2HB       CYS  22   8.896  -2.100  -1.364
  153    H    GLN  23           H        GLN  23   7.051  -4.088  -0.504
  154    HA   GLN  23           HA       GLN  23   4.586  -3.350  -2.006
  155   1HB   GLN  23          1HB       GLN  23   4.881  -5.904  -0.357
  156   2HB   GLN  23          2HB       GLN  23   3.429  -5.335  -1.199
  157   1HG   GLN  23          1HG       GLN  23   4.647  -5.562  -3.378
  158   2HG   GLN  23          2HG       GLN  23   6.036  -6.235  -2.503
  159   1HE2  GLN  23          1HE2      GLN  23   5.937  -8.196  -3.675
  160   2HE2  GLN  23          2HE2      GLN  23   4.704  -9.390  -3.332
  161    H    CYS  24           H        CYS  24   2.706  -3.327  -0.316
  162    HA   CYS  24           HA       CYS  24   3.664  -2.069   2.225
  163   1HB   CYS  24          1HB       CYS  24   1.114  -1.857   0.646
  164   2HB   CYS  24          2HB       CYS  24   1.187  -1.426   2.337
  165    H    THR  25           H        THR  25   2.860  -2.760   4.164
  166    HA   THR  25           HA       THR  25   1.156  -5.228   4.199
  167    HB   THR  25           HB       THR  25   3.227  -5.617   5.353
  168    HG1  THR  25           HG1      THR  25   1.224  -6.344   6.261
  169   1HG2  THR  25          1HG2      THR  25   3.716  -4.263   7.435
  170   2HG2  THR  25          2HG2      THR  25   4.040  -3.464   5.892
  171   3HG2  THR  25          3HG2      THR  25   2.585  -3.032   6.824
  172    H    ASP  26           H        ASP  26   1.222  -1.830   4.502
  173    HA   ASP  26           HA       ASP  26  -0.715  -1.254   6.399
  174   1HB   ASP  26          1HB       ASP  26   0.669   0.352   5.244
  175   2HB   ASP  26          2HB       ASP  26  -0.138   0.016   3.700
  176    HD2  ASP  26           HD2      ASP  26  -2.599   1.773   6.369
  177    H    VAL  27           H        VAL  27  -2.796  -0.793   6.257
  178    HA   VAL  27           HA       VAL  27  -4.557  -1.535   4.055
  179    HB   VAL  27           HB       VAL  27  -4.700  -2.820   6.823
  180   1HG1  VAL  27          1HG1      VAL  27  -6.828  -3.922   5.749
  181   2HG1  VAL  27          2HG1      VAL  27  -6.926  -2.301   6.456
  182   3HG1  VAL  27          3HG1      VAL  27  -6.832  -2.489   4.706
  183   1HG2  VAL  27          1HG2      VAL  27  -4.838  -4.948   5.368
  184   2HG2  VAL  27          2HG2      VAL  27  -4.257  -3.934   4.033
  185   3HG2  VAL  27          3HG2      VAL  27  -3.273  -4.146   5.482
  186    H    ARG  28           H        ARG  28  -6.509  -0.304   4.205
  187    HA   ARG  28           HA       ARG  28  -6.865   1.588   6.424
  188   1HB   ARG  28          1HB       ARG  28  -4.990   2.349   4.648
  189   2HB   ARG  28          2HB       ARG  28  -6.370   2.710   3.644
  190   1HG   ARG  28          1HG       ARG  28  -6.452   4.713   4.670
  191   2HG   ARG  28          2HG       ARG  28  -7.023   3.903   6.136
  192   1HD   ARG  28          1HD       ARG  28  -4.144   4.525   5.363
  193   2HD   ARG  28          2HD       ARG  28  -5.113   5.296   6.631
  194    HE   ARG  28           HE       ARG  28  -4.702   2.367   6.834
  195   1HH1  ARG  28          1HH1      ARG  28  -3.607   5.592   7.947
  196   2HH1  ARG  28          2HH1      ARG  28  -2.701   4.931   9.272
  197   1HH2  ARG  28          1HH2      ARG  28  -3.440   1.555   8.520
  198   2HH2  ARG  28          2HH2      ARG  28  -2.527   2.633   9.551
  199    H    GLU  29           H        GLU  29  -8.465   3.395   4.714
  200    HA   GLU  29           HA       GLU  29 -10.623   1.673   3.740
  201   1HB   GLU  29          1HB       GLU  29 -11.049   3.800   4.953
  202   2HB   GLU  29          2HB       GLU  29 -10.219   4.707   3.695
  203   1HG   GLU  29          1HG       GLU  29 -12.693   4.713   3.591
  204   2HG   GLU  29          2HG       GLU  29 -11.953   4.135   2.094
  205    HE2  GLU  29           HE2      GLU  29 -14.075   1.538   4.387
  206    H    LYS  30           H        LYS  30  -9.996   4.321   1.617
  207    HA   LYS  30           HA       LYS  30  -9.288   2.476  -0.455
  208   1HB   LYS  30          1HB       LYS  30  -9.088   5.499  -0.506
  209   2HB   LYS  30          2HB       LYS  30  -9.132   4.411  -1.885
  210   1HG   LYS  30          1HG       LYS  30 -11.427   4.991   0.017
  211   2HG   LYS  30          2HG       LYS  30 -11.271   5.419  -1.688
  212   1HD   LYS  30          1HD       LYS  30 -11.174   2.907  -2.209
  213   2HD   LYS  30          2HD       LYS  30 -11.571   2.619  -0.504
  214   1HE   LYS  30          1HE       LYS  30 -13.611   2.477  -1.729
  215   2HE   LYS  30          2HE       LYS  30 -13.660   3.984  -0.799
  216   1HZ   LYS  30          1HZ       LYS  30 -13.023   5.139  -2.813
  217   2HZ   LYS  30          2HZ       LYS  30 -12.983   3.720  -3.651
  218   3HZ   LYS  30          3HZ       LYS  30 -14.409   4.281  -3.046
  219    H    CYS  31           H        CYS  31  -7.504   2.638  -1.845
  220    HA   CYS  31           HA       CYS  31  -4.951   2.561  -0.456
  221   1HB   CYS  31          1HB       CYS  31  -4.202   1.709  -2.720
  222   2HB   CYS  31          2HB       CYS  31  -5.308   0.723  -1.789
  223    H    HIS  32           H        HIS  32  -3.024   3.467  -1.571
  224    HA   HIS  32           HA       HIS  32  -3.433   6.267  -1.508
  225   1HB   HIS  32          1HB       HIS  32  -1.048   6.501  -1.692
  226   2HB   HIS  32          2HB       HIS  32  -1.501   5.311  -0.527
  227    HD1  HIS  32           HD1      HIS  32   0.172   5.652  -3.920
  228    HD2  HIS  32           HD2      HIS  32  -0.582   2.767  -0.975
  229    HE1  HIS  32           HE1      HIS  32   1.438   3.559  -4.606
  230    HE2  HIS  32           HE2      HIS  32   1.046   1.787  -2.786
  231    H    SER  33           H        SER  33  -2.271   7.759  -2.895
  232    HA   SER  33           HA       SER  33  -3.706   8.196  -5.207
  233   1HB   SER  33          1HB       SER  33  -2.495   9.911  -3.926
  234   2HB   SER  33          2HB       SER  33  -0.966   9.286  -4.571
  235    HG   SER  33           HG       SER  33  -1.842   9.766  -6.682
  236    H    ALA  34           H        ALA  34  -0.602   6.626  -4.898
  237    HA   ALA  34           HA       ALA  34  -0.384   6.241  -7.858
  238   1HB   ALA  34          1HB       ALA  34   1.485   7.440  -6.715
  239   2HB   ALA  34          2HB       ALA  34   1.744   5.995  -5.699
  240   3HB   ALA  34          3HB       ALA  34   2.021   5.917  -7.446
  241    H    CYS  35           H        CYS  35  -2.041   4.576  -5.976
  242    HA   CYS  35           HA       CYS  35  -0.670   1.954  -6.170
  243   1HB   CYS  35          1HB       CYS  35  -1.926   2.585  -4.086
  244   2HB   CYS  35          2HB       CYS  35  -3.407   2.571  -5.049
  245    H    LYS  36           H        LYS  36  -1.054   0.638  -7.903
  246    HA   LYS  36           HA       LYS  36  -3.059   1.522  -9.898
  247   1HB   LYS  36          1HB       LYS  36  -0.467   1.223 -10.282
  248   2HB   LYS  36          2HB       LYS  36  -0.881  -0.483 -10.474
  249   1HG   LYS  36          1HG       LYS  36  -2.583   0.164 -12.210
  250   2HG   LYS  36          2HG       LYS  36  -2.116   1.861 -11.993
  251   1HD   LYS  36          1HD       LYS  36   0.235   1.250 -12.685
  252   2HD   LYS  36          2HD       LYS  36  -0.334  -0.401 -12.984
  253   1HE   LYS  36          1HE       LYS  36  -0.296   0.745 -15.098
  254   2HE   LYS  36          2HE       LYS  36  -1.995   0.524 -14.652
  255   1HZ   LYS  36          1HZ       LYS  36  -0.439   2.991 -14.262
  256   2HZ   LYS  36          2HZ       LYS  36  -1.503   2.720 -15.489
  257   3HZ   LYS  36          3HZ       LYS  36  -2.043   2.796 -13.937
  258    H    SER  37           H        SER  37  -1.825  -1.394  -8.314
  259    HA   SER  37           HA       SER  37  -4.357  -2.871  -8.946
  260   1HB   SER  37          1HB       SER  37  -2.172  -3.949  -9.533
  261   2HB   SER  37          2HB       SER  37  -1.754  -3.984  -7.819
  262    HG   SER  37           HG       SER  37  -3.707  -5.220  -7.528
  263    H    CYS  38           H        CYS  38  -5.755  -3.177  -7.292
  264    HA   CYS  38           HA       CYS  38  -4.993  -2.675  -4.473
  265   1HB   CYS  38          1HB       CYS  38  -5.346  -0.498  -5.540
  266   2HB   CYS  38          2HB       CYS  38  -6.934  -0.997  -6.113
  267    H    LEU  39           H        LEU  39  -6.417  -3.626  -3.021
  268    HA   LEU  39           HA       LEU  39  -8.747  -5.119  -4.006
  269   1HB   LEU  39          1HB       LEU  39  -6.609  -6.414  -4.592
  270   2HB   LEU  39          2HB       LEU  39  -6.295  -6.531  -2.861
  271    HG   LEU  39           HG       LEU  39  -8.390  -7.850  -2.578
  272   1HD1  LEU  39          1HD1      LEU  39  -9.836  -7.057  -4.350
  273   2HD1  LEU  39          2HD1      LEU  39  -8.639  -7.480  -5.595
  274   3HD1  LEU  39          3HD1      LEU  39  -9.478  -8.752  -4.685
  275   1HD2  LEU  39          1HD2      LEU  39  -7.580  -9.872  -3.648
  276   2HD2  LEU  39          2HD2      LEU  39  -6.592  -8.927  -4.784
  277   3HD2  LEU  39          3HD2      LEU  39  -6.197  -8.936  -3.054
  278    H    CYS  40           H        CYS  40  -9.886  -6.228  -2.168
  279    HA   CYS  40           HA       CYS  40  -9.299  -4.915   0.454
  280   1HB   CYS  40          1HB       CYS  40 -12.023  -5.488  -0.722
  281   2HB   CYS  40          2HB       CYS  40 -11.686  -4.573   0.742
  282    H    THR  41           H        THR  41 -10.459  -5.959   2.306
  283    HA   THR  41           HA       THR  41 -10.296  -8.926   2.057
  284    HB   THR  41           HB       THR  41  -8.910  -8.053   3.840
  285    HG1  THR  41           HG1      THR  41  -9.983 -10.035   4.076
  286   1HG2  THR  41          1HG2      THR  41  -9.947  -7.088   5.870
  287   2HG2  THR  41          2HG2      THR  41 -10.057  -6.002   4.478
  288   3HG2  THR  41          3HG2      THR  41 -11.490  -6.921   5.010
  289    H    ARG  42           H        ARG  42 -12.036 -10.169   2.787
  290    HA   ARG  42           HA       ARG  42 -14.680  -8.924   2.387
  291   1HB   ARG  42          1HB       ARG  42 -15.451 -11.174   2.077
  292   2HB   ARG  42          2HB       ARG  42 -14.070 -10.851   1.021
  293   1HG   ARG  42          1HG       ARG  42 -12.589 -12.118   2.487
  294   2HG   ARG  42          2HG       ARG  42 -13.897 -12.334   3.677
  295   1HD   ARG  42          1HD       ARG  42 -15.228 -13.556   2.018
  296   2HD   ARG  42          2HD       ARG  42 -13.924 -13.382   0.817
  297    HE   ARG  42           HE       ARG  42 -12.658 -14.536   2.961
  298   1HH1  ARG  42          1HH1      ARG  42 -15.507 -15.411   1.032
  299   2HH1  ARG  42          2HH1      ARG  42 -15.327 -17.125   1.307
  300   1HH2  ARG  42          1HH2      ARG  42 -12.421 -16.785   3.303
  301   2HH2  ARG  42          2HH2      ARG  42 -13.555 -17.910   2.599
  302    H    SER  43           H        SER  43 -12.857  -8.926   5.021
  303    HA   SER  43           HA       SER  43 -14.340 -10.325   6.975
  304   1HB   SER  43          1HB       SER  43 -12.652  -7.818   7.304
  305   2HB   SER  43          2HB       SER  43 -13.035  -9.027   8.528
  306    HG   SER  43           HG       SER  43 -11.457  -9.445   6.209
  307    H    PHE  44           H        PHE  44 -15.322  -9.002   8.849
  308    HA   PHE  44           HA       PHE  44 -17.011  -6.741   7.889
  309   1HB   PHE  44          1HB       PHE  44 -18.407  -8.674   8.178
  310   2HB   PHE  44          2HB       PHE  44 -17.789  -8.938   9.806
  311    HD1  PHE  44           HD1      PHE  44 -19.672  -6.504   7.657
  312    HD2  PHE  44           HD2      PHE  44 -18.741  -7.752  11.682
  313    HE1  PHE  44           HE1      PHE  44 -21.379  -4.937   8.544
  314    HE2  PHE  44           HE2      PHE  44 -20.459  -6.194  12.557
  315    HZ   PHE  44           HZ       PHE  44 -21.773  -4.779  10.993
  316    HA   PRO  45           HA       PRO  45 -16.985  -4.636   8.225
  317   1HB   PRO  45          1HB       PRO  45 -15.442  -2.425   8.402
  318   2HB   PRO  45          2HB       PRO  45 -16.766  -2.785   9.547
  319   1HG   PRO  45          1HG       PRO  45 -13.816  -3.363   9.955
  320   2HG   PRO  45          2HG       PRO  45 -14.925  -2.493  11.053
  321   1HD   PRO  45          1HD       PRO  45 -14.381  -5.160  11.326
  322   2HD   PRO  45          2HD       PRO  45 -16.011  -4.512  11.663
  323    HA   PRO  46           HA       PRO  46 -13.597  -5.670   5.291
  324   1HB   PRO  46          1HB       PRO  46 -14.579  -4.641   3.003
  325   2HB   PRO  46          2HB       PRO  46 -15.371  -6.014   3.827
  326   1HG   PRO  46          1HG       PRO  46 -16.147  -3.088   3.986
  327   2HG   PRO  46          2HG       PRO  46 -17.198  -4.494   3.662
  328   1HD   PRO  46          1HD       PRO  46 -16.904  -3.399   6.175
  329   2HD   PRO  46          2HD       PRO  46 -17.182  -5.147   5.910
  330    H    GLN  47           H        GLN  47 -11.674  -4.670   5.011
  331    HA   GLN  47           HA       GLN  47 -11.479  -1.696   4.807
  332   1HB   GLN  47          1HB       GLN  47  -9.657  -3.829   6.010
  333   2HB   GLN  47          2HB       GLN  47  -9.099  -2.235   5.524
  334   1HG   GLN  47          1HG       GLN  47  -9.528  -2.201   7.893
  335   2HG   GLN  47          2HG       GLN  47 -10.659  -1.131   7.057
  336   1HE2  GLN  47          1HE2      GLN  47 -10.387  -4.558   8.216
  337   2HE2  GLN  47          2HE2      GLN  47 -12.074  -4.692   8.675
  338    H    CYS  48           H        CYS  48  -9.955  -0.931   3.205
  339    HA   CYS  48           HA       CYS  48  -9.356  -2.904   1.066
  340   1HB   CYS  48          1HB       CYS  48 -10.295  -0.064   0.906
  341   2HB   CYS  48          2HB       CYS  48  -9.544  -0.917  -0.436
  342    H    ARG  49           H        ARG  49  -7.521  -2.539  -0.213
  343    HA   ARG  49           HA       ARG  49  -5.180  -1.659   1.412
  344   1HB   ARG  49          1HB       ARG  49  -5.540  -4.420   0.249
  345   2HB   ARG  49          2HB       ARG  49  -4.378  -3.868   1.457
  346   1HG   ARG  49          1HG       ARG  49  -6.223  -3.646   3.061
  347   2HG   ARG  49          2HG       ARG  49  -7.401  -4.202   1.870
  348   1HD   ARG  49          1HD       ARG  49  -5.003  -5.900   2.588
  349   2HD   ARG  49          2HD       ARG  49  -6.490  -5.903   3.535
  350    HE   ARG  49           HE       ARG  49  -7.724  -6.836   1.824
  351   1HH1  ARG  49          1HH1      ARG  49  -4.366  -6.403   0.708
  352   2HH1  ARG  49          2HH1      ARG  49  -4.562  -7.492  -0.638
  353   1HH2  ARG  49          1HH2      ARG  49  -7.975  -8.151  -0.012
  354   2HH2  ARG  49          2HH2      ARG  49  -6.612  -8.479  -1.046
  355    H    CYS  50           H        CYS  50  -3.242  -1.416   0.145
  356    HA   CYS  50           HA       CYS  50  -3.612  -1.352  -2.779
  357   1HB   CYS  50          1HB       CYS  50  -2.394   0.482  -1.603
  358   2HB   CYS  50          2HB       CYS  50  -1.154  -0.684  -1.120
  359    H    TYR  51           H        TYR  51  -2.754  -2.841  -4.195
  360    HA   TYR  51           HA       TYR  51  -1.378  -5.246  -3.084
  361   1HB   TYR  51          1HB       TYR  51  -3.641  -5.437  -4.284
  362   2HB   TYR  51          2HB       TYR  51  -2.812  -4.923  -5.731
  363    HD1  TYR  51           HD1      TYR  51  -1.162  -6.393  -6.867
  364    HD2  TYR  51           HD2      TYR  51  -3.284  -7.675  -3.333
  365    HE1  TYR  51           HE1      TYR  51  -0.409  -8.715  -7.256
  366    HE2  TYR  51           HE2      TYR  51  -2.569 -10.011  -3.762
  367    HH   TYR  51           HH       TYR  51  -0.434 -10.887  -6.500
  368    H    ASP  52           H        ASP  52  -1.121  -2.492  -5.223
  369    HA   ASP  52           HA       ASP  52   0.470  -3.221  -7.246
  370   1HB   ASP  52          1HB       ASP  52  -0.518  -0.981  -6.836
  371   2HB   ASP  52          2HB       ASP  52   0.736  -0.654  -5.633
  372    HD2  ASP  52           HD2      ASP  52   1.992  -0.970  -9.491
  373    H    ILE  53           H        ILE  53   2.595  -3.372  -7.787
  374    HA   ILE  53           HA       ILE  53   4.511  -3.977  -5.590
  375    HB   ILE  53           HB       ILE  53   4.605  -4.767  -8.529
  376   1HG1  ILE  53          1HG1      ILE  53   2.581  -5.778  -7.687
  377   2HG1  ILE  53          2HG1      ILE  53   3.826  -6.997  -7.921
  378   1HG2  ILE  53          1HG2      ILE  53   6.096  -5.795  -6.083
  379   2HG2  ILE  53          2HG2      ILE  53   6.183  -6.508  -7.707
  380   3HG2  ILE  53          3HG2      ILE  53   6.775  -4.866  -7.429
  381   1HD1  ILE  53          1HD1      ILE  53   3.093  -5.773  -5.225
  382   2HD1  ILE  53          2HD1      ILE  53   2.549  -7.342  -5.836
  383   3HD1  ILE  53          3HD1      ILE  53   4.271  -7.074  -5.515
  384    H    THR  54           H        THR  54   6.213  -2.608  -5.346
  385    HA   THR  54           HA       THR  54   7.129  -1.012  -7.686
  386    HB   THR  54           HB       THR  54   7.693   0.817  -5.971
  387    HG1  THR  54           HG1      THR  54   7.354  -0.211  -4.045
  388   1HG2  THR  54          1HG2      THR  54   4.740   0.268  -6.418
  389   2HG2  THR  54          2HG2      THR  54   5.521   1.838  -6.115
  390   3HG2  THR  54          3HG2      THR  54   5.837   0.971  -7.626
  391    H    ASP  55           H        ASP  55   9.403  -0.123  -7.176
  392    HA   ASP  55           HA       ASP  55  11.068  -2.387  -6.256
  393   1HB   ASP  55          1HB       ASP  55  11.480  -1.249  -8.427
  394   2HB   ASP  55          2HB       ASP  55  11.827   0.254  -7.563
  395    HD2  ASP  55           HD2      ASP  55  14.429  -2.859  -7.054
  396    H    PHE  56           H        PHE  56   9.672   0.418  -4.940
  397    HA   PHE  56           HA       PHE  56  11.678   0.615  -2.741
  398   1HB   PHE  56          1HB       PHE  56  11.213   3.077  -2.808
  399   2HB   PHE  56          2HB       PHE  56  12.047   2.465  -4.211
  400    HD1  PHE  56           HD1      PHE  56  10.960   2.495  -6.436
  401    HD2  PHE  56           HD2      PHE  56   8.829   3.794  -2.916
  402    HE1  PHE  56           HE1      PHE  56   9.088   3.294  -7.854
  403    HE2  PHE  56           HE2      PHE  56   6.968   4.589  -4.339
  404    HZ   PHE  56           HZ       PHE  56   7.082   4.322  -6.808
  405    H    CYS  57           H        CYS  57  10.745   1.978  -1.004
  406    HA   CYS  57           HA       CYS  57   7.925   1.220  -0.332
  407   1HB   CYS  57          1HB       CYS  57   9.431   0.123   1.118
  408   2HB   CYS  57          2HB       CYS  57  10.383   1.598   1.346
  409    H    TYR  58           H        TYR  58   6.610   2.775   0.235
  410    HA   TYR  58           HA       TYR  58   7.092   5.492  -0.571
  411   1HB   TYR  58          1HB       TYR  58   4.716   4.298   0.903
  412   2HB   TYR  58          2HB       TYR  58   4.729   5.732  -0.101
  413    HD1  TYR  58           HD1      TYR  58   4.632   5.628  -2.527
  414    HD2  TYR  58           HD2      TYR  58   4.689   2.036  -0.139
  415    HE1  TYR  58           HE1      TYR  58   3.895   4.304  -4.488
  416    HE2  TYR  58           HE2      TYR  58   3.958   0.719  -2.097
  417    HH   TYR  58           HH       TYR  58   3.474   0.754  -4.356
  418    HA   PRO  59           HA       PRO  59   7.777   7.111   3.624
  419   1HB   PRO  59          1HB       PRO  59   6.599   9.578   3.542
  420   2HB   PRO  59          2HB       PRO  59   8.113   9.199   2.676
  421   1HG   PRO  59          1HG       PRO  59   5.291   9.181   1.561
  422   2HG   PRO  59          2HG       PRO  59   6.725   9.996   0.873
  423   1HD   PRO  59          1HD       PRO  59   5.907   7.567   0.001
  424   2HD   PRO  59          2HD       PRO  59   7.647   7.923   0.147
  425    H    SER  60           H        SER  60   6.515   7.545   5.619
  426    HA   SER  60           HA       SER  60   4.178   5.987   5.714
  427   1HB   SER  60          1HB       SER  60   4.096   7.046   8.089
  428   2HB   SER  60          2HB       SER  60   5.371   5.918   7.639
  429    HG   SER  60           HG       SER  60   5.535   8.763   7.591
  430    H    CYS  61           H        CYS  61   2.084   6.575   6.211
  431    HA   CYS  61           HA       CYS  61   1.210   9.163   5.085
  432   1HB   CYS  61          1HB       CYS  61   0.318   6.594   4.667
  433   2HB   CYS  61          2HB       CYS  61  -0.875   7.182   5.800
  434    H    SER  62           H        SER  62  -1.237   9.538   6.228
  435    HA   SER  62           HA       SER  62  -0.775  10.085   9.110
  436   1HB   SER  62          1HB       SER  62  -3.049  10.801   7.218
  437   2HB   SER  62          2HB       SER  62  -2.969  11.228   8.939
  438    HG   SER  62           HG       SER  62  -1.029  11.955   7.001
  Start of MODEL   13
    1   1H    THR   1          1H        THR   1   1.199  28.859   3.303
    2   2H    THR   1          2H        THR   1   1.630  27.274   3.147
    3   3H    THR   1          3H        THR   1   2.228  28.397   2.099
    4    HA   THR   1           HA       THR   1  -0.556  27.600   2.365
    5    HB   THR   1           HB       THR   1  -0.641  29.838   1.859
    6    HG1  THR   1           HG1      THR   1  -1.980  28.584   0.565
    7   1HG2  THR   1          1HG2      THR   1   1.656  30.289   1.206
    8   2HG2  THR   1          2HG2      THR   1   1.425  29.412  -0.327
    9   3HG2  THR   1          3HG2      THR   1   0.512  30.901  -0.001
   10    H    LYS   2           H        LYS   2   0.059  25.391   2.186
   11    HA   LYS   2           HA       LYS   2  -0.068  24.471  -0.507
   12   1HB   LYS   2          1HB       LYS   2   1.954  23.053  -0.490
   13   2HB   LYS   2          2HB       LYS   2   2.329  24.776  -0.533
   14   1HG   LYS   2          1HG       LYS   2   2.896  24.757   1.865
   15   2HG   LYS   2          2HG       LYS   2   2.383  23.067   1.996
   16   1HD   LYS   2          1HD       LYS   2   4.790  23.181   1.890
   17   2HD   LYS   2          2HD       LYS   2   4.165  22.369   0.445
   18   1HE   LYS   2          1HE       LYS   2   4.526  24.391  -0.902
   19   2HE   LYS   2          2HE       LYS   2   4.970  25.316   0.547
   20   1HZ   LYS   2          1HZ       LYS   2   6.867  24.606  -0.693
   21   2HZ   LYS   2          2HZ       LYS   2   6.864  23.885   0.788
   22   3HZ   LYS   2          3HZ       LYS   2   6.437  23.022  -0.551
   23    H    SER   3           H        SER   3  -0.338  22.104  -0.560
   24    HA   SER   3           HA       SER   3  -1.380  20.970   2.004
   25   1HB   SER   3          1HB       SER   3  -3.163  19.932   0.659
   26   2HB   SER   3          2HB       SER   3  -3.227  21.698   0.542
   27    HG   SER   3           HG       SER   3  -2.176  21.539  -1.465
   28    H    THR   4           H        THR   4  -1.634  18.518   1.758
   29    HA   THR   4           HA       THR   4   0.134  17.239  -0.161
   30    HB   THR   4           HB       THR   4   1.749  17.777   1.576
   31    HG1  THR   4           HG1      THR   4   2.377  15.612   1.981
   32   1HG2  THR   4          1HG2      THR   4   1.625  16.875   3.834
   33   2HG2  THR   4          2HG2      THR   4   0.237  17.939   3.558
   34   3HG2  THR   4          3HG2      THR   4   0.030  16.172   3.522
   35    H    THR   5           H        THR   5  -0.550  15.263  -0.661
   36    HA   THR   5           HA       THR   5  -2.127  13.547   1.008
   37    HB   THR   5           HB       THR   5  -3.951  15.046   0.474
   38    HG1  THR   5           HG1      THR   5  -4.014  12.710  -1.100
   39   1HG2  THR   5          1HG2      THR   5  -4.701  15.465  -1.840
   40   2HG2  THR   5          2HG2      THR   5  -3.128  16.205  -1.513
   41   3HG2  THR   5          3HG2      THR   5  -3.226  14.714  -2.473
   42    H    THR   6           H        THR   6   0.311  13.207  -0.049
   43    HA   THR   6           HA       THR   6   0.297  12.305  -2.795
   44    HB   THR   6           HB       THR   6   2.694  11.986  -2.370
   45    HG1  THR   6           HG1      THR   6   2.590  11.295  -0.220
   46   1HG2  THR   6          1HG2      THR   6   1.659  14.614  -1.221
   47   2HG2  THR   6          2HG2      THR   6   3.275  14.305  -1.877
   48   3HG2  THR   6          3HG2      THR   6   1.860  14.233  -2.945
   49    H    ALA   7           H        ALA   7   1.569  10.279  -3.302
   50    HA   ALA   7           HA       ALA   7   0.360   7.868  -2.444
   51   1HB   ALA   7          1HB       ALA   7   1.628   8.056  -4.530
   52   2HB   ALA   7          2HB       ALA   7   3.117   8.429  -3.637
   53   3HB   ALA   7          3HB       ALA   7   2.382   6.824  -3.488
   54    H    CYS   8           H        CYS   8   0.477   6.900  -0.475
   55    HA   CYS   8           HA       CYS   8   2.987   7.014   1.075
   56   1HB   CYS   8          1HB       CYS   8   1.815   7.647   3.105
   57   2HB   CYS   8          2HB       CYS   8   1.938   8.900   1.911
   58    H    CYS   9           H        CYS   9   2.899   5.739   2.991
   59    HA   CYS   9           HA       CYS   9   1.350   3.285   3.078
   60   1HB   CYS   9          1HB       CYS   9   2.548   3.045   0.892
   61   2HB   CYS   9          2HB       CYS   9   4.079   3.321   1.732
   62    H    ASP  10           H        ASP  10   1.965   2.080   4.902
   63    HA   ASP  10           HA       ASP  10   3.906   3.428   6.722
   64   1HB   ASP  10          1HB       ASP  10   1.632   3.371   7.518
   65   2HB   ASP  10          2HB       ASP  10   1.507   1.632   7.230
   66    HD2  ASP  10           HD2      ASP  10   2.852   0.808  10.293
   67    H    PHE  11           H        PHE  11   2.645   0.057   6.232
   68    HA   PHE  11           HA       PHE  11   5.312  -1.070   6.795
   69   1HB   PHE  11          1HB       PHE  11   2.733  -2.415   5.996
   70   2HB   PHE  11          2HB       PHE  11   4.194  -3.190   6.607
   71    HD1  PHE  11           HD1      PHE  11   4.977  -1.913   9.012
   72    HD2  PHE  11           HD2      PHE  11   0.981  -2.598   7.532
   73    HE1  PHE  11           HE1      PHE  11   4.106  -1.895  11.325
   74    HE2  PHE  11           HE2      PHE  11   0.117  -2.552   9.836
   75    HZ   PHE  11           HZ       PHE  11   1.667  -2.166  11.750
   76    H    CYS  12           H        CYS  12   6.673  -0.833   5.119
   77    HA   CYS  12           HA       CYS  12   5.781  -1.494   2.350
   78   1HB   CYS  12          1HB       CYS  12   7.361   0.154   1.563
   79   2HB   CYS  12          2HB       CYS  12   6.101   0.873   2.558
   80    HA   PRO  13           HA       PRO  13   9.408  -4.163   3.710
   81   1HB   PRO  13          1HB       PRO  13   8.323  -6.653   3.516
   82   2HB   PRO  13          2HB       PRO  13   8.093  -5.624   4.961
   83   1HG   PRO  13          1HG       PRO  13   6.213  -5.912   2.593
   84   2HG   PRO  13          2HG       PRO  13   5.815  -6.106   4.328
   85   1HD   PRO  13          1HD       PRO  13   5.381  -3.757   3.052
   86   2HD   PRO  13          2HD       PRO  13   6.028  -3.783   4.721
   87    H    CYS  14           H        CYS  14  10.657  -5.573   2.313
   88    HA   CYS  14           HA       CYS  14   9.741  -5.771  -0.496
   89   1HB   CYS  14          1HB       CYS  14  12.558  -5.107   0.408
   90   2HB   CYS  14          2HB       CYS  14  11.955  -5.128  -1.242
   91    H    THR  15           H        THR  15  10.783  -7.406  -1.739
   92    HA   THR  15           HA       THR  15  11.103  -9.874  -0.254
   93    HB   THR  15           HB       THR  15  11.424 -10.843  -2.494
   94    HG1  THR  15           HG1      THR  15  11.616  -9.608  -4.251
   95   1HG2  THR  15          1HG2      THR  15   9.248 -10.380  -3.417
   96   2HG2  THR  15          2HG2      THR  15   9.116 -10.375  -1.647
   97   3HG2  THR  15          3HG2      THR  15   9.127  -8.841  -2.543
   98    H    ARG  16           H        ARG  16  12.978 -11.318  -0.946
   99    HA   ARG  16           HA       ARG  16  15.579  -9.886  -0.633
  100   1HB   ARG  16          1HB       ARG  16  16.399 -11.967   0.246
  101   2HB   ARG  16          2HB       ARG  16  15.010 -11.378   1.179
  102   1HG   ARG  16          1HG       ARG  16  13.542 -13.021   0.055
  103   2HG   ARG  16          2HG       ARG  16  14.905 -13.585  -0.933
  104   1HD   ARG  16          1HD       ARG  16  16.103 -14.285   1.105
  105   2HD   ARG  16          2HD       ARG  16  14.747 -13.713   2.105
  106    HE   ARG  16           HE       ARG  16  13.692 -15.500   0.202
  107   1HH1  ARG  16          1HH1      ARG  16  15.931 -15.621   2.952
  108   2HH1  ARG  16          2HH1      ARG  16  15.541 -17.270   3.364
  109   1HH2  ARG  16          1HH2      ARG  16  13.178 -17.659   0.753
  110   2HH2  ARG  16          2HH2      ARG  16  13.963 -18.437   2.103
  111    H    SER  17           H        SER  17  13.790 -10.823  -3.127
  112    HA   SER  17           HA       SER  17  15.529 -12.591  -4.580
  113   1HB   SER  17          1HB       SER  17  13.985 -11.991  -6.466
  114   2HB   SER  17          2HB       SER  17  13.195 -12.613  -5.032
  115    HG   SER  17           HG       SER  17  13.405  -9.916  -5.894
  116    H    ILE  18           H        ILE  18  16.152 -11.935  -6.800
  117    HA   ILE  18           HA       ILE  18  17.581  -9.334  -6.882
  118    HB   ILE  18           HB       ILE  18  19.083 -10.985  -6.172
  119   1HG1  ILE  18          1HG1      ILE  18  20.805 -10.962  -7.921
  120   2HG1  ILE  18          2HG1      ILE  18  19.610 -10.513  -9.143
  121   1HG2  ILE  18          1HG2      ILE  18  19.717 -13.001  -7.318
  122   2HG2  ILE  18          2HG2      ILE  18  18.016 -13.078  -6.868
  123   3HG2  ILE  18          3HG2      ILE  18  18.484 -12.770  -8.554
  124   1HD1  ILE  18          1HD1      ILE  18  21.021  -8.616  -8.285
  125   2HD1  ILE  18          2HD1      ILE  18  19.285  -8.338  -8.095
  126   3HD1  ILE  18          3HD1      ILE  18  20.269  -8.819  -6.689
  127    HA   PRO  19           HA       PRO  19  17.086  -7.503  -7.921
  128   1HB   PRO  19          1HB       PRO  19  15.051  -5.993  -8.898
  129   2HB   PRO  19          2HB       PRO  19  16.567  -6.295  -9.794
  130   1HG   PRO  19          1HG       PRO  19  13.923  -7.752 -10.085
  131   2HG   PRO  19          2HG       PRO  19  14.948  -7.065 -11.383
  132   1HD   PRO  19          1HD       PRO  19  15.059  -9.703 -10.704
  133   2HD   PRO  19          2HD       PRO  19  16.538  -8.811 -11.162
  134    HA   PRO  20           HA       PRO  20  13.781  -8.112  -4.881
  135   1HB   PRO  20          1HB       PRO  20  14.079  -5.979  -3.261
  136   2HB   PRO  20          2HB       PRO  20  15.331  -7.249  -3.394
  137   1HG   PRO  20          1HG       PRO  20  15.272  -4.567  -4.788
  138   2HG   PRO  20          2HG       PRO  20  16.635  -5.313  -3.917
  139   1HD   PRO  20          1HD       PRO  20  16.325  -5.467  -6.665
  140   2HD   PRO  20          2HD       PRO  20  17.109  -6.754  -5.701
  141    H    GLN  21           H        GLN  21  11.666  -7.514  -4.578
  142    HA   GLN  21           HA       GLN  21  10.531  -5.184  -6.074
  143   1HB   GLN  21          1HB       GLN  21   9.529  -7.997  -5.506
  144   2HB   GLN  21          2HB       GLN  21   8.429  -6.658  -5.819
  145   1HG   GLN  21          1HG       GLN  21   8.860  -7.906  -7.878
  146   2HG   GLN  21          2HG       GLN  21   9.413  -6.232  -8.001
  147   1HE2  GLN  21          1HE2      GLN  21  10.765  -9.398  -6.835
  148   2HE2  GLN  21          2HE2      GLN  21  12.307  -9.200  -7.648
  149    H    CYS  22           H        CYS  22   9.543  -3.705  -4.778
  150    HA   CYS  22           HA       CYS  22   9.167  -4.323  -1.879
  151   1HB   CYS  22          1HB       CYS  22   9.484  -1.726  -3.331
  152   2HB   CYS  22          2HB       CYS  22   9.091  -1.868  -1.621
  153    H    GLN  23           H        GLN  23   7.246  -3.886  -0.915
  154    HA   GLN  23           HA       GLN  23   4.878  -3.316  -2.613
  155   1HB   GLN  23          1HB       GLN  23   5.261  -5.831  -0.922
  156   2HB   GLN  23          2HB       GLN  23   3.783  -5.366  -1.784
  157   1HG   GLN  23          1HG       GLN  23   4.977  -5.529  -3.943
  158   2HG   GLN  23          2HG       GLN  23   6.452  -6.046  -3.109
  159   1HE2  GLN  23          1HE2      GLN  23   6.414  -8.062  -1.856
  160   2HE2  GLN  23          2HE2      GLN  23   5.327  -9.342  -2.356
  161    H    CYS  24           H        CYS  24   2.959  -2.976  -1.311
  162    HA   CYS  24           HA       CYS  24   3.591  -1.924   1.413
  163   1HB   CYS  24          1HB       CYS  24   1.625  -1.119  -0.710
  164   2HB   CYS  24          2HB       CYS  24   1.358  -0.707   0.986
  165    H    THR  25           H        THR  25   2.906  -3.075   3.030
  166    HA   THR  25           HA       THR  25   0.544  -4.889   2.736
  167    HB   THR  25           HB       THR  25   1.477  -6.136   4.594
  168    HG1  THR  25           HG1      THR  25   2.580  -4.556   5.690
  169   1HG2  THR  25          1HG2      THR  25   2.202  -6.709   2.276
  170   2HG2  THR  25          2HG2      THR  25   3.625  -5.662   2.478
  171   3HG2  THR  25          3HG2      THR  25   3.432  -7.096   3.504
  172    H    ASP  26           H        ASP  26   0.738  -1.868   3.281
  173    HA   ASP  26           HA       ASP  26  -0.395  -1.619   5.939
  174   1HB   ASP  26          1HB       ASP  26   0.832   0.231   4.988
  175   2HB   ASP  26          2HB       ASP  26  -0.289   0.309   3.607
  176    HD2  ASP  26           HD2      ASP  26  -1.763   1.403   7.248
  177    H    VAL  27           H        VAL  27  -2.503  -1.115   6.335
  178    HA   VAL  27           HA       VAL  27  -4.595  -1.823   4.363
  179    HB   VAL  27           HB       VAL  27  -4.208  -3.259   7.031
  180   1HG1  VAL  27          1HG1      VAL  27  -6.561  -3.034   6.653
  181   2HG1  VAL  27          2HG1      VAL  27  -6.400  -3.349   4.919
  182   3HG1  VAL  27          3HG1      VAL  27  -6.146  -4.661   6.085
  183   1HG2  VAL  27          1HG2      VAL  27  -3.853  -4.225   4.165
  184   2HG2  VAL  27          2HG2      VAL  27  -2.634  -4.186   5.452
  185   3HG2  VAL  27          3HG2      VAL  27  -3.987  -5.308   5.567
  186    H    ARG  28           H        ARG  28  -6.319  -0.482   4.615
  187    HA   ARG  28           HA       ARG  28  -7.098   0.705   7.111
  188   1HB   ARG  28          1HB       ARG  28  -4.832   1.913   5.987
  189   2HB   ARG  28          2HB       ARG  28  -6.135   2.918   5.384
  190   1HG   ARG  28          1HG       ARG  28  -6.969   3.171   7.745
  191   2HG   ARG  28          2HG       ARG  28  -5.681   2.091   8.306
  192   1HD   ARG  28          1HD       ARG  28  -5.014   4.418   8.690
  193   2HD   ARG  28          2HD       ARG  28  -3.963   3.664   7.496
  194    HE   ARG  28           HE       ARG  28  -4.712   5.087   5.878
  195   1HH1  ARG  28          1HH1      ARG  28  -6.833   5.431   8.712
  196   2HH1  ARG  28          2HH1      ARG  28  -7.801   6.686   7.982
  197   1HH2  ARG  28          1HH2      ARG  28  -5.996   6.707   4.949
  198   2HH2  ARG  28          2HH2      ARG  28  -7.332   7.407   5.834
  199    H    GLU  29           H        GLU  29  -8.218   3.127   5.860
  200    HA   GLU  29           HA       GLU  29 -10.664   2.102   4.974
  201   1HB   GLU  29          1HB       GLU  29 -10.399   4.264   6.002
  202   2HB   GLU  29          2HB       GLU  29  -9.356   4.841   4.709
  203   1HG   GLU  29          1HG       GLU  29 -11.676   5.705   4.609
  204   2HG   GLU  29          2HG       GLU  29 -11.190   4.865   3.134
  205    HE2  GLU  29           HE2      GLU  29 -13.889   3.034   5.582
  206    H    LYS  30           H        LYS  30  -8.810   4.248   2.830
  207    HA   LYS  30           HA       LYS  30  -9.218   2.387   0.561
  208   1HB   LYS  30          1HB       LYS  30  -9.188   4.414  -0.791
  209   2HB   LYS  30          2HB       LYS  30 -10.512   4.378   0.368
  210   1HG   LYS  30          1HG       LYS  30  -9.432   6.054   1.757
  211   2HG   LYS  30          2HG       LYS  30  -7.899   5.858   0.892
  212   1HD   LYS  30          1HD       LYS  30  -8.889   7.906   0.188
  213   2HD   LYS  30          2HD       LYS  30  -8.911   6.769  -1.168
  214   1HE   LYS  30          1HE       LYS  30 -11.315   6.327  -0.779
  215   2HE   LYS  30          2HE       LYS  30 -11.288   7.368   0.658
  216   1HZ   LYS  30          1HZ       LYS  30 -10.732   9.204  -0.761
  217   2HZ   LYS  30          2HZ       LYS  30 -10.764   8.239  -2.096
  218   3HZ   LYS  30          3HZ       LYS  30 -12.146   8.508  -1.239
  219    H    CYS  31           H        CYS  31  -7.713   2.799  -1.209
  220    HA   CYS  31           HA       CYS  31  -4.913   2.745  -0.323
  221   1HB   CYS  31          1HB       CYS  31  -4.655   1.832  -2.706
  222   2HB   CYS  31          2HB       CYS  31  -5.343   0.826  -1.432
  223    H    HIS  32           H        HIS  32  -3.296   3.710  -1.722
  224    HA   HIS  32           HA       HIS  32  -4.045   6.488  -2.129
  225   1HB   HIS  32          1HB       HIS  32  -1.688   6.954  -2.098
  226   2HB   HIS  32          2HB       HIS  32  -2.193   6.032  -0.728
  227    HD1  HIS  32           HD1      HIS  32   0.173   5.993  -3.615
  228    HD2  HIS  32           HD2      HIS  32  -1.239   3.378  -0.645
  229    HE1  HIS  32           HE1      HIS  32   1.793   4.034  -3.517
  230    HE2  HIS  32           HE2      HIS  32   0.974   2.434  -1.684
  231    H    SER  33           H        SER  33  -2.754   7.713  -3.713
  232    HA   SER  33           HA       SER  33  -3.811   7.430  -6.250
  233   1HB   SER  33          1HB       SER  33  -3.000   9.537  -5.414
  234   2HB   SER  33          2HB       SER  33  -1.341   8.907  -5.356
  235    HG   SER  33           HG       SER  33  -2.908   9.179  -7.704
  236    H    ALA  34           H        ALA  34  -0.738   6.213  -5.073
  237    HA   ALA  34           HA       ALA  34  -0.016   5.175  -7.797
  238   1HB   ALA  34          1HB       ALA  34   2.272   5.275  -7.121
  239   2HB   ALA  34          2HB       ALA  34   1.531   6.853  -6.801
  240   3HB   ALA  34          3HB       ALA  34   1.830   5.722  -5.459
  241    H    CYS  35           H        CYS  35  -1.916   3.787  -6.263
  242    HA   CYS  35           HA       CYS  35  -0.433   1.259  -5.741
  243   1HB   CYS  35          1HB       CYS  35  -1.295   2.162  -3.671
  244   2HB   CYS  35          2HB       CYS  35  -2.912   2.323  -4.358
  245    H    LYS  36           H        LYS  36  -0.851  -0.153  -7.319
  246    HA   LYS  36           HA       LYS  36  -2.943   0.456  -9.288
  247   1HB   LYS  36          1HB       LYS  36  -0.481  -1.349  -9.291
  248   2HB   LYS  36          2HB       LYS  36  -1.562  -1.078 -10.656
  249   1HG   LYS  36          1HG       LYS  36  -0.984   1.356 -10.612
  250   2HG   LYS  36          2HG       LYS  36   0.146   1.043  -9.276
  251   1HD   LYS  36          1HD       LYS  36   1.394  -0.560 -10.733
  252   2HD   LYS  36          2HD       LYS  36   0.286  -0.182 -12.068
  253   1HE   LYS  36          1HE       LYS  36   0.996   2.211 -11.955
  254   2HE   LYS  36          2HE       LYS  36   2.126   1.801 -10.649
  255   1HZ   LYS  36          1HZ       LYS  36   3.209   1.891 -12.756
  256   2HZ   LYS  36          2HZ       LYS  36   3.260   0.352 -12.175
  257   3HZ   LYS  36          3HZ       LYS  36   2.215   0.743 -13.388
  258    H    SER  37           H        SER  37  -1.708  -2.213  -7.316
  259    HA   SER  37           HA       SER  37  -4.200  -3.801  -7.820
  260   1HB   SER  37          1HB       SER  37  -2.121  -5.031  -8.239
  261   2HB   SER  37          2HB       SER  37  -1.564  -4.666  -6.595
  262    HG   SER  37           HG       SER  37  -3.885  -6.129  -7.331
  263    H    CYS  38           H        CYS  38  -5.661  -3.495  -6.356
  264    HA   CYS  38           HA       CYS  38  -5.072  -3.006  -3.510
  265   1HB   CYS  38          1HB       CYS  38  -5.198  -0.796  -4.514
  266   2HB   CYS  38          2HB       CYS  38  -6.709  -1.203  -5.331
  267    H    LEU  39           H        LEU  39  -6.557  -4.034  -2.248
  268    HA   LEU  39           HA       LEU  39  -9.075  -5.025  -3.394
  269   1HB   LEU  39          1HB       LEU  39  -7.228  -6.564  -4.181
  270   2HB   LEU  39          2HB       LEU  39  -6.980  -7.054  -2.503
  271    HG   LEU  39           HG       LEU  39  -9.789  -7.204  -3.607
  272   1HD1  LEU  39          1HD1      LEU  39  -9.330  -9.374  -4.694
  273   2HD1  LEU  39          2HD1      LEU  39  -8.485  -8.044  -5.500
  274   3HD1  LEU  39          3HD1      LEU  39  -7.590  -9.141  -4.425
  275   1HD2  LEU  39          1HD2      LEU  39  -8.122  -9.158  -1.953
  276   2HD2  LEU  39          2HD2      LEU  39  -9.255  -7.969  -1.280
  277   3HD2  LEU  39          3HD2      LEU  39  -9.857  -9.281  -2.297
  278    H    CYS  40           H        CYS  40 -10.540  -5.618  -1.888
  279    HA   CYS  40           HA       CYS  40  -9.831  -4.981   0.932
  280   1HB   CYS  40          1HB       CYS  40 -12.554  -4.478  -0.242
  281   2HB   CYS  40          2HB       CYS  40 -11.776  -3.663   1.104
  282    H    THR  41           H        THR  41 -11.323  -5.792   2.623
  283    HA   THR  41           HA       THR  41 -11.744  -8.637   2.067
  284    HB   THR  41           HB       THR  41 -10.726  -7.846   4.171
  285    HG1  THR  41           HG1      THR  41 -11.901  -9.341   5.396
  286   1HG2  THR  41          1HG2      THR  41 -12.259  -5.897   4.583
  287   2HG2  THR  41          2HG2      THR  41 -13.561  -7.039   4.973
  288   3HG2  THR  41          3HG2      THR  41 -12.096  -6.998   5.968
  289    H    ARG  42           H        ARG  42 -13.725  -9.733   2.280
  290    HA   ARG  42           HA       ARG  42 -16.036  -8.188   1.288
  291   1HB   ARG  42          1HB       ARG  42 -16.851 -10.378   0.584
  292   2HB   ARG  42          2HB       ARG  42 -15.261 -10.003  -0.089
  293   1HG   ARG  42          1HG       ARG  42 -14.173 -11.482   1.515
  294   2HG   ARG  42          2HG       ARG  42 -15.720 -11.798   2.325
  295   1HD   ARG  42          1HD       ARG  42 -16.602 -12.766   0.209
  296   2HD   ARG  42          2HD       ARG  42 -15.022 -12.546  -0.550
  297    HE   ARG  42           HE       ARG  42 -15.869 -14.601   1.318
  298   1HH1  ARG  42          1HH1      ARG  42 -12.995 -12.847   0.178
  299   2HH1  ARG  42          2HH1      ARG  42 -11.885 -14.093   0.686
  300   1HH2  ARG  42          1HH2      ARG  42 -14.400 -16.217   1.979
  301   2HH2  ARG  42          2HH2      ARG  42 -12.688 -16.015   1.714
  302    H    SER  43           H        SER  43 -15.513  -7.751   4.030
  303    HA   SER  43           HA       SER  43 -17.914  -8.714   5.267
  304   1HB   SER  43          1HB       SER  43 -16.342 -10.707   5.442
  305   2HB   SER  43          2HB       SER  43 -15.255  -9.703   6.409
  306    HG   SER  43           HG       SER  43 -17.960 -10.397   6.987
  307    H    PHE  44           H        PHE  44 -17.011  -8.430   7.902
  308    HA   PHE  44           HA       PHE  44 -16.715  -5.511   8.102
  309   1HB   PHE  44          1HB       PHE  44 -17.673  -6.153  10.438
  310   2HB   PHE  44          2HB       PHE  44 -18.718  -5.983   9.034
  311    HD1  PHE  44           HD1      PHE  44 -19.896  -7.882   8.087
  312    HD2  PHE  44           HD2      PHE  44 -17.197  -8.408  11.412
  313    HE1  PHE  44           HE1      PHE  44 -20.807 -10.154   8.473
  314    HE2  PHE  44           HE2      PHE  44 -18.094 -10.688  11.771
  315    HZ   PHE  44           HZ       PHE  44 -19.905 -11.563  10.311
  316    HA   PRO  45           HA       PRO  45 -15.741  -3.940   9.279
  317   1HB   PRO  45          1HB       PRO  45 -13.397  -2.585   9.342
  318   2HB   PRO  45          2HB       PRO  45 -14.226  -3.145  10.823
  319   1HG   PRO  45          1HG       PRO  45 -11.949  -4.509   9.361
  320   2HG   PRO  45          2HG       PRO  45 -12.070  -4.153  11.108
  321   1HD   PRO  45          1HD       PRO  45 -12.742  -6.597  10.063
  322   2HD   PRO  45          2HD       PRO  45 -13.634  -5.899  11.446
  323    HA   PRO  46           HA       PRO  46 -14.594  -4.340   4.885
  324   1HB   PRO  46          1HB       PRO  46 -15.760  -2.154   3.824
  325   2HB   PRO  46          2HB       PRO  46 -16.713  -3.486   4.536
  326   1HG   PRO  46          1HG       PRO  46 -15.958  -0.866   5.872
  327   2HG   PRO  46          2HG       PRO  46 -17.571  -1.626   5.781
  328   1HD   PRO  46          1HD       PRO  46 -15.890  -1.933   7.943
  329   2HD   PRO  46          2HD       PRO  46 -17.011  -3.221   7.405
  330    H    GLN  47           H        GLN  47 -12.335  -4.146   5.442
  331    HA   GLN  47           HA       GLN  47 -11.087  -1.458   5.250
  332   1HB   GLN  47          1HB       GLN  47  -9.166  -2.595   6.256
  333   2HB   GLN  47          2HB       GLN  47 -10.596  -2.606   7.304
  334   1HG   GLN  47          1HG       GLN  47 -10.982  -4.957   6.856
  335   2HG   GLN  47          2HG       GLN  47  -9.768  -4.983   5.573
  336   1HE2  GLN  47          1HE2      GLN  47  -9.582  -3.577   8.905
  337   2HE2  GLN  47          2HE2      GLN  47  -8.227  -4.574   9.390
  338    H    CYS  48           H        CYS  48  -9.442  -1.136   3.753
  339    HA   CYS  48           HA       CYS  48  -9.147  -3.244   1.704
  340   1HB   CYS  48          1HB       CYS  48 -10.397  -1.012   1.149
  341   2HB   CYS  48          2HB       CYS  48  -8.742  -0.400   0.951
  342    H    ARG  49           H        ARG  49  -7.307  -3.506   0.651
  343    HA   ARG  49           HA       ARG  49  -4.822  -2.772   2.157
  344   1HB   ARG  49          1HB       ARG  49  -5.199  -5.282   0.551
  345   2HB   ARG  49          2HB       ARG  49  -3.994  -4.922   1.795
  346   1HG   ARG  49          1HG       ARG  49  -5.952  -4.936   3.461
  347   2HG   ARG  49          2HG       ARG  49  -6.960  -5.549   2.150
  348   1HD   ARG  49          1HD       ARG  49  -4.507  -6.803   3.419
  349   2HD   ARG  49          2HD       ARG  49  -6.152  -7.449   3.422
  350    HE   ARG  49           HE       ARG  49  -4.086  -7.794   1.443
  351   1HH1  ARG  49          1HH1      ARG  49  -7.618  -7.473   1.656
  352   2HH1  ARG  49          2HH1      ARG  49  -7.902  -8.325   0.161
  353   1HH2  ARG  49          1HH2      ARG  49  -4.472  -8.853  -0.524
  354   2HH2  ARG  49          2HH2      ARG  49  -6.100  -9.100  -1.096
  355    H    CYS  50           H        CYS  50  -2.898  -2.604   0.829
  356    HA   CYS  50           HA       CYS  50  -3.307  -2.301  -2.104
  357   1HB   CYS  50          1HB       CYS  50  -1.392  -1.123  -0.088
  358   2HB   CYS  50          2HB       CYS  50  -0.802  -1.448  -1.709
  359    H    TYR  51           H        TYR  51  -1.712  -3.276  -3.445
  360    HA   TYR  51           HA       TYR  51   0.108  -5.252  -2.331
  361   1HB   TYR  51          1HB       TYR  51  -2.388  -6.175  -2.800
  362   2HB   TYR  51          2HB       TYR  51  -1.803  -6.291  -4.440
  363    HD1  TYR  51           HD1      TYR  51   1.191  -7.102  -3.183
  364    HD2  TYR  51           HD2      TYR  51  -2.872  -8.547  -2.905
  365    HE1  TYR  51           HE1      TYR  51   2.019  -9.316  -2.497
  366    HE2  TYR  51           HE2      TYR  51  -2.021 -10.787  -2.278
  367    HH   TYR  51           HH       TYR  51   1.472 -11.474  -1.924
  368    H    ASP  52           H        ASP  52   0.215  -2.698  -3.843
  369    HA   ASP  52           HA       ASP  52   0.742  -3.261  -6.614
  370   1HB   ASP  52          1HB       ASP  52   1.313  -0.939  -6.764
  371   2HB   ASP  52          2HB       ASP  52  -0.112  -1.112  -5.723
  372    HD2  ASP  52           HD2      ASP  52   1.736  -0.271  -2.765
  373    H    ILE  53           H        ILE  53   2.801  -3.056  -7.697
  374    HA   ILE  53           HA       ILE  53   5.057  -4.097  -6.051
  375    HB   ILE  53           HB       ILE  53   4.726  -4.246  -9.061
  376   1HG1  ILE  53          1HG1      ILE  53   2.837  -5.459  -8.189
  377   2HG1  ILE  53          2HG1      ILE  53   4.044  -6.581  -8.804
  378   1HG2  ILE  53          1HG2      ILE  53   6.558  -5.652  -7.067
  379   2HG2  ILE  53          2HG2      ILE  53   6.402  -6.111  -8.773
  380   3HG2  ILE  53          3HG2      ILE  53   7.022  -4.516  -8.338
  381   1HD1  ILE  53          1HD1      ILE  53   4.819  -7.011  -6.460
  382   2HD1  ILE  53          2HD1      ILE  53   3.538  -5.928  -5.869
  383   3HD1  ILE  53          3HD1      ILE  53   3.113  -7.417  -6.721
  384    H    THR  54           H        THR  54   6.882  -2.978  -5.903
  385    HA   THR  54           HA       THR  54   7.567  -0.800  -7.761
  386    HB   THR  54           HB       THR  54   7.924   0.778  -5.911
  387    HG1  THR  54           HG1      THR  54   6.913  -1.326  -4.299
  388   1HG2  THR  54          1HG2      THR  54   5.633   0.705  -6.934
  389   2HG2  THR  54          2HG2      THR  54   5.119  -0.322  -5.569
  390   3HG2  THR  54          3HG2      THR  54   5.706   1.322  -5.273
  391    H    ASP  55           H        ASP  55   9.775   0.120  -6.375
  392    HA   ASP  55           HA       ASP  55  11.360  -2.244  -5.527
  393   1HB   ASP  55          1HB       ASP  55  11.650  -1.364  -7.996
  394   2HB   ASP  55          2HB       ASP  55  12.566  -0.056  -7.242
  395    HD2  ASP  55           HD2      ASP  55  14.488  -3.247  -6.031
  396    H    PHE  56           H        PHE  56   9.941   0.252  -4.376
  397    HA   PHE  56           HA       PHE  56  12.020   1.089  -2.475
  398   1HB   PHE  56          1HB       PHE  56  11.409   3.509  -3.059
  399   2HB   PHE  56          2HB       PHE  56  12.437   2.648  -4.180
  400    HD1  PHE  56           HD1      PHE  56  11.747   2.307  -6.482
  401    HD2  PHE  56           HD2      PHE  56   8.942   3.822  -3.573
  402    HE1  PHE  56           HE1      PHE  56  10.096   2.720  -8.284
  403    HE2  PHE  56           HE2      PHE  56   7.311   4.248  -5.382
  404    HZ   PHE  56           HZ       PHE  56   7.871   3.689  -7.736
  405    H    CYS  57           H        CYS  57  10.923   2.907  -1.096
  406    HA   CYS  57           HA       CYS  57   8.222   1.935  -0.229
  407   1HB   CYS  57          1HB       CYS  57   9.995   1.481   1.383
  408   2HB   CYS  57          2HB       CYS  57  10.478   3.184   1.361
  409    H    TYR  58           H        TYR  58   6.694   3.459   0.333
  410    HA   TYR  58           HA       TYR  58   7.057   6.248  -0.618
  411   1HB   TYR  58          1HB       TYR  58   4.639   4.502  -0.010
  412   2HB   TYR  58          2HB       TYR  58   4.529   6.214  -0.322
  413    HD1  TYR  58           HD1      TYR  58   5.661   7.065  -2.569
  414    HD2  TYR  58           HD2      TYR  58   4.363   3.018  -1.833
  415    HE1  TYR  58           HE1      TYR  58   5.373   6.713  -5.003
  416    HE2  TYR  58           HE2      TYR  58   4.054   2.678  -4.266
  417    HH   TYR  58           HH       TYR  58   4.740   5.247  -6.663
  418    HA   PRO  59           HA       PRO  59   7.378   7.568   3.571
  419   1HB   PRO  59          1HB       PRO  59   6.096  10.006   3.635
  420   2HB   PRO  59          2HB       PRO  59   7.638   9.719   2.780
  421   1HG   PRO  59          1HG       PRO  59   4.845   9.649   1.597
  422   2HG   PRO  59          2HG       PRO  59   6.257  10.575   1.004
  423   1HD   PRO  59          1HD       PRO  59   5.645   8.190  -0.079
  424   2HD   PRO  59          2HD       PRO  59   7.352   8.571   0.273
  425    H    SER  60           H        SER  60   6.128   8.093   5.625
  426    HA   SER  60           HA       SER  60   4.145   6.212   6.023
  427   1HB   SER  60          1HB       SER  60   3.799   7.722   8.167
  428   2HB   SER  60          2HB       SER  60   5.198   6.676   7.922
  429    HG   SER  60           HG       SER  60   5.728   8.844   8.578
  430    H    CYS  61           H        CYS  61   2.035   6.193   6.218
  431    HA   CYS  61           HA       CYS  61   0.546   8.363   4.855
  432   1HB   CYS  61          1HB       CYS  61   0.616   5.606   4.501
  433   2HB   CYS  61          2HB       CYS  61  -0.823   5.785   5.460
  434    H    SER  62           H        SER  62  -1.932   8.123   5.458
  435    HA   SER  62           HA       SER  62  -2.179   9.228   8.164
  436   1HB   SER  62          1HB       SER  62  -4.478   9.732   7.386
  437   2HB   SER  62          2HB       SER  62  -3.233  10.346   6.284
  438    HG   SER  62           HG       SER  62  -4.812   9.327   5.086
  Start of MODEL   14
    1   1H    THR   1          1H        THR   1  -3.849  24.744  -6.372
    2   2H    THR   1          2H        THR   1  -4.589  23.295  -6.673
    3   3H    THR   1          3H        THR   1  -4.183  23.710  -5.130
    4    HA   THR   1           HA       THR   1  -2.272  23.219  -7.280
    5    HB   THR   1           HB       THR   1  -0.625  23.235  -5.397
    6    HG1  THR   1           HG1      THR   1  -1.325  24.253  -3.477
    7   1HG2  THR   1          1HG2      THR   1  -0.444  25.665  -5.230
    8   2HG2  THR   1          2HG2      THR   1  -0.879  25.199  -6.884
    9   3HG2  THR   1          3HG2      THR   1  -2.111  25.871  -5.793
   10    H    LYS   2           H        LYS   2  -0.995  21.274  -6.985
   11    HA   LYS   2           HA       LYS   2  -2.534  18.962  -6.031
   12   1HB   LYS   2          1HB       LYS   2  -1.284  18.986  -8.196
   13   2HB   LYS   2          2HB       LYS   2   0.211  19.246  -7.305
   14   1HG   LYS   2          1HG       LYS   2   0.453  17.033  -7.396
   15   2HG   LYS   2          2HG       LYS   2  -0.717  16.932  -6.083
   16   1HD   LYS   2          1HD       LYS   2  -1.356  16.768  -9.066
   17   2HD   LYS   2          2HD       LYS   2  -1.162  15.390  -7.972
   18   1HE   LYS   2          1HE       LYS   2  -3.070  16.215  -6.592
   19   2HE   LYS   2          2HE       LYS   2  -3.319  17.536  -7.754
   20   1HZ   LYS   2          1HZ       LYS   2  -4.755  15.696  -8.188
   21   2HZ   LYS   2          2HZ       LYS   2  -3.706  15.900  -9.442
   22   3HZ   LYS   2          3HZ       LYS   2  -3.478  14.671  -8.368
   23    H    SER   3           H        SER   3  -2.419  20.211  -3.844
   24    HA   SER   3           HA       SER   3  -0.054  19.288  -2.256
   25   1HB   SER   3          1HB       SER   3  -1.446  21.994  -2.074
   26   2HB   SER   3          2HB       SER   3  -0.101  21.416  -1.068
   27    HG   SER   3           HG       SER   3   0.688  22.681  -2.746
   28    H    THR   4           H        THR   4  -1.898  17.537  -2.214
   29    HA   THR   4           HA       THR   4  -3.053  17.722   0.432
   30    HB   THR   4           HB       THR   4  -4.821  18.804  -0.971
   31    HG1  THR   4           HG1      THR   4  -5.442  17.689   0.838
   32   1HG2  THR   4          1HG2      THR   4  -4.423  17.553  -3.103
   33   2HG2  THR   4          2HG2      THR   4  -5.077  16.088  -2.339
   34   3HG2  THR   4          3HG2      THR   4  -6.111  17.506  -2.569
   35    H    THR   5           H        THR   5  -3.905  15.669   1.085
   36    HA   THR   5           HA       THR   5  -2.637  13.679   1.594
   37    HB   THR   5           HB       THR   5  -4.969  13.562   1.856
   38    HG1  THR   5           HG1      THR   5  -3.835  11.618   2.018
   39   1HG2  THR   5          1HG2      THR   5  -5.773  14.310  -0.363
   40   2HG2  THR   5          2HG2      THR   5  -5.305  12.747  -1.062
   41   3HG2  THR   5          3HG2      THR   5  -6.555  12.823   0.185
   42    H    THR   6           H        THR   6  -0.658  13.773   0.410
   43    HA   THR   6           HA       THR   6  -0.408  12.756  -2.255
   44    HB   THR   6           HB       THR   6   2.006  12.754  -1.679
   45    HG1  THR   6           HG1      THR   6   1.697  12.262   0.567
   46   1HG2  THR   6          1HG2      THR   6   0.910  14.818  -2.510
   47   2HG2  THR   6          2HG2      THR   6   0.545  15.300  -0.839
   48   3HG2  THR   6          3HG2      THR   6   2.229  15.175  -1.380
   49    H    ALA   7           H        ALA   7   0.699  10.787  -2.881
   50    HA   ALA   7           HA       ALA   7  -0.354   8.465  -1.665
   51   1HB   ALA   7          1HB       ALA   7   1.153   7.255  -3.212
   52   2HB   ALA   7          2HB       ALA   7   0.281   8.563  -4.041
   53   3HB   ALA   7          3HB       ALA   7   1.988   8.776  -3.595
   54    H    CYS   8           H        CYS   8   0.238   7.391   0.119
   55    HA   CYS   8           HA       CYS   8   3.063   7.280   0.957
   56   1HB   CYS   8          1HB       CYS   8   2.483   8.083   3.227
   57   2HB   CYS   8          2HB       CYS   8   2.427   9.300   1.984
   58    H    CYS   9           H        CYS   9   3.209   6.138   3.047
   59    HA   CYS   9           HA       CYS   9   1.438   3.945   3.674
   60   1HB   CYS   9          1HB       CYS   9   2.191   3.128   1.494
   61   2HB   CYS   9          2HB       CYS   9   3.869   3.472   1.924
   62    H    ASP  10           H        ASP  10   2.299   2.756   5.501
   63    HA   ASP  10           HA       ASP  10   4.533   4.130   6.887
   64   1HB   ASP  10          1HB       ASP  10   2.308   2.331   7.934
   65   2HB   ASP  10          2HB       ASP  10   3.508   3.201   8.877
   66    HD2  ASP  10           HD2      ASP  10   1.645   6.097   8.957
   67    H    PHE  11           H        PHE  11   3.123   0.752   6.791
   68    HA   PHE  11           HA       PHE  11   5.849  -0.353   7.046
   69   1HB   PHE  11          1HB       PHE  11   3.157  -1.700   7.110
   70   2HB   PHE  11          2HB       PHE  11   4.713  -2.433   7.488
   71    HD1  PHE  11           HD1      PHE  11   6.086  -0.649   9.288
   72    HD2  PHE  11           HD2      PHE  11   1.877  -1.602   9.101
   73    HE1  PHE  11           HE1      PHE  11   5.825   0.012  11.654
   74    HE2  PHE  11           HE2      PHE  11   1.631  -0.933  11.471
   75    HZ   PHE  11           HZ       PHE  11   3.602  -0.131  12.755
   76    H    CYS  12           H        CYS  12   6.835  -0.378   5.225
   77    HA   CYS  12           HA       CYS  12   5.572  -1.285   2.681
   78   1HB   CYS  12          1HB       CYS  12   7.196   0.197   1.600
   79   2HB   CYS  12          2HB       CYS  12   6.060   1.053   2.634
   80    HA   PRO  13           HA       PRO  13   9.156  -4.058   3.990
   81   1HB   PRO  13          1HB       PRO  13   7.965  -6.524   3.785
   82   2HB   PRO  13          2HB       PRO  13   7.845  -5.491   5.238
   83   1HG   PRO  13          1HG       PRO  13   5.858  -5.671   2.948
   84   2HG   PRO  13          2HG       PRO  13   5.524  -5.844   4.700
   85   1HD   PRO  13          1HD       PRO  13   5.147  -3.481   3.469
   86   2HD   PRO  13          2HD       PRO  13   5.932  -3.523   5.078
   87    H    CYS  14           H        CYS  14  10.414  -5.470   2.679
   88    HA   CYS  14           HA       CYS  14   9.612  -5.737  -0.157
   89   1HB   CYS  14          1HB       CYS  14  12.332  -4.888   0.896
   90   2HB   CYS  14          2HB       CYS  14  11.920  -5.154  -0.791
   91    H    THR  15           H        THR  15  10.812  -7.343  -1.289
   92    HA   THR  15           HA       THR  15  11.163  -9.785   0.307
   93    HB   THR  15           HB       THR  15  11.098 -10.861  -1.919
   94    HG1  THR  15           HG1      THR  15  10.885  -8.191  -2.836
   95   1HG2  THR  15          1HG2      THR  15   8.812 -10.334  -2.529
   96   2HG2  THR  15          2HG2      THR  15   8.948 -10.329  -0.763
   97   3HG2  THR  15          3HG2      THR  15   8.867  -8.796  -1.647
   98    H    ARG  16           H        ARG  16  12.892 -11.296  -0.563
   99    HA   ARG  16           HA       ARG  16  15.522  -9.898  -0.722
  100   1HB   ARG  16          1HB       ARG  16  16.446 -11.863   0.296
  101   2HB   ARG  16          2HB       ARG  16  15.118 -11.257   1.302
  102   1HG   ARG  16          1HG       ARG  16  13.620 -13.006   0.299
  103   2HG   ARG  16          2HG       ARG  16  14.996 -13.620  -0.637
  104   1HD   ARG  16          1HD       ARG  16  16.226 -14.043   1.487
  105   2HD   ARG  16          2HD       ARG  16  14.799 -13.554   2.406
  106    HE   ARG  16           HE       ARG  16  15.292 -16.054   1.002
  107   1HH1  ARG  16          1HH1      ARG  16  12.702 -13.943   2.210
  108   2HH1  ARG  16          2HH1      ARG  16  11.473 -15.175   2.090
  109   1HH2  ARG  16          1HH2      ARG  16  13.663 -17.649   0.828
  110   2HH2  ARG  16          2HH2      ARG  16  12.025 -17.291   1.308
  111    H    SER  17           H        SER  17  13.354 -11.375  -2.731
  112    HA   SER  17           HA       SER  17  15.013 -13.143  -4.274
  113   1HB   SER  17          1HB       SER  17  12.989 -12.869  -5.854
  114   2HB   SER  17          2HB       SER  17  12.681 -13.517  -4.249
  115    HG   SER  17           HG       SER  17  11.212 -11.840  -4.834
  116    H    ILE  18           H        ILE  18  14.872 -12.637  -6.755
  117    HA   ILE  18           HA       ILE  18  16.108  -9.980  -7.279
  118    HB   ILE  18           HB       ILE  18  17.057 -12.677  -8.227
  119   1HG1  ILE  18          1HG1      ILE  18  17.752 -12.220  -5.918
  120   2HG1  ILE  18          2HG1      ILE  18  19.107 -12.223  -7.038
  121   1HG2  ILE  18          1HG2      ILE  18  17.339 -11.153 -10.057
  122   2HG2  ILE  18          2HG2      ILE  18  17.968  -9.881  -8.998
  123   3HG2  ILE  18          3HG2      ILE  18  18.918 -11.354  -9.291
  124   1HD1  ILE  18          1HD1      ILE  18  19.132  -9.732  -7.037
  125   2HD1  ILE  18          2HD1      ILE  18  17.790  -9.728  -5.874
  126   3HD1  ILE  18          3HD1      ILE  18  19.347 -10.421  -5.421
  127    HA   PRO  19           HA       PRO  19  15.770  -8.317  -8.535
  128   1HB   PRO  19          1HB       PRO  19  13.789  -6.575  -9.268
  129   2HB   PRO  19          2HB       PRO  19  15.008  -7.215 -10.405
  130   1HG   PRO  19          1HG       PRO  19  12.189  -8.232  -9.959
  131   2HG   PRO  19          2HG       PRO  19  12.998  -7.872 -11.513
  132   1HD   PRO  19          1HD       PRO  19  12.869 -10.406 -10.505
  133   2HD   PRO  19          2HD       PRO  19  14.320  -9.836 -11.377
  134    HA   PRO  20           HA       PRO  20  13.342  -8.481  -4.726
  135   1HB   PRO  20          1HB       PRO  20  14.252  -6.295  -3.383
  136   2HB   PRO  20          2HB       PRO  20  15.266  -7.735  -3.674
  137   1HG   PRO  20          1HG       PRO  20  15.231  -5.156  -5.261
  138   2HG   PRO  20          2HG       PRO  20  16.649  -6.044  -4.638
  139   1HD   PRO  20          1HD       PRO  20  15.756  -6.306  -7.217
  140   2HD   PRO  20          2HD       PRO  20  16.476  -7.680  -6.326
  141    H    GLN  21           H        GLN  21  11.217  -7.973  -4.550
  142    HA   GLN  21           HA       GLN  21  10.206  -5.451  -5.738
  143   1HB   GLN  21          1HB       GLN  21   8.086  -6.570  -5.743
  144   2HB   GLN  21          2HB       GLN  21   9.244  -7.407  -6.767
  145   1HG   GLN  21          1HG       GLN  21   8.907  -8.419  -3.957
  146   2HG   GLN  21          2HG       GLN  21   7.501  -8.540  -4.991
  147   1HE2  GLN  21          1HE2      GLN  21  10.892  -8.931  -6.209
  148   2HE2  GLN  21          2HE2      GLN  21  10.678 -10.614  -6.595
  149    H    CYS  22           H        CYS  22   8.681  -4.237  -4.570
  150    HA   CYS  22           HA       CYS  22   8.620  -4.602  -1.615
  151   1HB   CYS  22          1HB       CYS  22   8.992  -2.062  -3.203
  152   2HB   CYS  22          2HB       CYS  22   8.718  -2.125  -1.465
  153    H    GLN  23           H        GLN  23   6.805  -3.993  -0.591
  154    HA   GLN  23           HA       GLN  23   4.385  -3.195  -2.089
  155   1HB   GLN  23          1HB       GLN  23   4.814  -5.684  -2.265
  156   2HB   GLN  23          2HB       GLN  23   4.727  -5.792  -0.500
  157   1HG   GLN  23          1HG       GLN  23   2.384  -4.970  -0.586
  158   2HG   GLN  23          2HG       GLN  23   2.522  -4.824  -2.350
  159   1HE2  GLN  23          1HE2      GLN  23   3.605  -7.117  -3.236
  160   2HE2  GLN  23          2HE2      GLN  23   2.738  -8.533  -2.681
  161    H    CYS  24           H        CYS  24   2.569  -2.836  -0.477
  162    HA   CYS  24           HA       CYS  24   3.556  -2.152   2.267
  163   1HB   CYS  24          1HB       CYS  24   1.325  -0.974   0.634
  164   2HB   CYS  24          2HB       CYS  24   1.526  -0.706   2.359
  165    H    THR  25           H        THR  25   2.517  -2.867   4.002
  166    HA   THR  25           HA       THR  25   0.770  -5.249   3.479
  167    HB   THR  25           HB       THR  25   2.955  -5.755   4.359
  168    HG1  THR  25           HG1      THR  25   1.065  -6.929   5.013
  169   1HG2  THR  25          1HG2      THR  25   3.484  -3.711   5.563
  170   2HG2  THR  25          2HG2      THR  25   2.138  -3.978   6.695
  171   3HG2  THR  25          3HG2      THR  25   3.534  -5.084   6.676
  172    H    ASP  26           H        ASP  26   0.656  -2.051   4.756
  173    HA   ASP  26           HA       ASP  26  -0.947  -2.391   7.003
  174   1HB   ASP  26          1HB       ASP  26  -1.141  -0.010   5.136
  175   2HB   ASP  26          2HB       ASP  26  -1.249  -0.079   6.893
  176    HD2  ASP  26           HD2      ASP  26   2.384  -0.160   5.069
  177    H    VAL  27           H        VAL  27  -3.184  -2.197   7.306
  178    HA   VAL  27           HA       VAL  27  -4.947  -2.579   4.914
  179    HB   VAL  27           HB       VAL  27  -5.233  -3.584   7.776
  180   1HG1  VAL  27          1HG1      VAL  27  -7.321  -4.653   6.932
  181   2HG1  VAL  27          2HG1      VAL  27  -7.418  -2.886   6.927
  182   3HG1  VAL  27          3HG1      VAL  27  -7.142  -3.767   5.402
  183   1HG2  VAL  27          1HG2      VAL  27  -4.951  -5.031   5.098
  184   2HG2  VAL  27          2HG2      VAL  27  -3.711  -4.958   6.368
  185   3HG2  VAL  27          3HG2      VAL  27  -5.232  -5.810   6.667
  186    H    ARG  28           H        ARG  28  -6.320  -0.921   4.551
  187    HA   ARG  28           HA       ARG  28  -6.849   1.056   6.642
  188   1HB   ARG  28          1HB       ARG  28  -5.847   2.864   5.747
  189   2HB   ARG  28          2HB       ARG  28  -4.648   1.596   5.543
  190   1HG   ARG  28          1HG       ARG  28  -6.397   2.906   3.428
  191   2HG   ARG  28          2HG       ARG  28  -4.654   2.945   3.580
  192   1HD   ARG  28          1HD       ARG  28  -6.278   0.425   2.972
  193   2HD   ARG  28          2HD       ARG  28  -5.551   1.446   1.783
  194    HE   ARG  28           HE       ARG  28  -4.237  -0.492   3.517
  195   1HH1  ARG  28          1HH1      ARG  28  -3.687   2.458   1.613
  196   2HH1  ARG  28          2HH1      ARG  28  -2.003   2.100   1.321
  197   1HH2  ARG  28          1HH2      ARG  28  -2.070  -0.933   3.137
  198   2HH2  ARG  28          2HH2      ARG  28  -1.057   0.172   2.234
  199    H    GLU  29           H        GLU  29  -7.984   3.074   5.095
  200    HA   GLU  29           HA       GLU  29 -10.413   1.924   4.003
  201   1HB   GLU  29          1HB       GLU  29 -10.076   4.171   5.270
  202   2HB   GLU  29          2HB       GLU  29  -9.462   4.804   3.741
  203   1HG   GLU  29          1HG       GLU  29 -11.669   4.092   2.690
  204   2HG   GLU  29          2HG       GLU  29 -12.178   3.488   4.269
  205    HE2  GLU  29           HE2      GLU  29 -13.772   6.602   4.403
  206    H    LYS  30           H        LYS  30  -9.971   4.225   1.742
  207    HA   LYS  30           HA       LYS  30  -9.354   2.348  -0.289
  208   1HB   LYS  30          1HB       LYS  30  -9.212   4.354  -1.758
  209   2HB   LYS  30          2HB       LYS  30 -10.710   4.148  -0.865
  210   1HG   LYS  30          1HG       LYS  30 -10.090   5.957   0.683
  211   2HG   LYS  30          2HG       LYS  30  -8.433   5.966   0.060
  212   1HD   LYS  30          1HD       LYS  30  -9.591   7.863  -0.825
  213   2HD   LYS  30          2HD       LYS  30  -9.260   6.737  -2.151
  214   1HE   LYS  30          1HE       LYS  30 -11.609   5.944  -2.077
  215   2HE   LYS  30          2HE       LYS  30 -11.924   6.981  -0.671
  216   1HZ   LYS  30          1HZ       LYS  30 -11.422   8.870  -2.068
  217   2HZ   LYS  30          2HZ       LYS  30 -11.207   7.884  -3.370
  218   3HZ   LYS  30          3HZ       LYS  30 -12.688   7.995  -2.656
  219    H    CYS  31           H        CYS  31  -7.667   2.413  -1.835
  220    HA   CYS  31           HA       CYS  31  -5.022   2.552  -0.662
  221   1HB   CYS  31          1HB       CYS  31  -5.923   1.955  -3.497
  222   2HB   CYS  31          2HB       CYS  31  -4.301   1.781  -2.849
  223    H    HIS  32           H        HIS  32  -3.259   3.659  -1.974
  224    HA   HIS  32           HA       HIS  32  -3.985   6.480  -2.092
  225   1HB   HIS  32          1HB       HIS  32  -1.544   6.814  -2.141
  226   2HB   HIS  32          2HB       HIS  32  -2.190   6.056  -0.710
  227    HD1  HIS  32           HD1      HIS  32  -0.240   5.257  -3.905
  228    HD2  HIS  32           HD2      HIS  32  -1.060   3.639  -0.112
  229    HE1  HIS  32           HE1      HIS  32   1.302   3.289  -3.622
  230    HE2  HIS  32           HE2      HIS  32   0.829   2.240  -1.307
  231    H    SER  33           H        SER  33  -2.694   7.842  -3.600
  232    HA   SER  33           HA       SER  33  -3.718   7.486  -6.201
  233   1HB   SER  33          1HB       SER  33  -3.290   9.656  -5.075
  234   2HB   SER  33          2HB       SER  33  -1.554   9.394  -5.339
  235    HG   SER  33           HG       SER  33  -2.071   9.246  -7.606
  236    H    ALA  34           H        ALA  34  -0.638   6.535  -4.884
  237    HA   ALA  34           HA       ALA  34   0.436   5.834  -7.584
  238   1HB   ALA  34          1HB       ALA  34   1.820   5.781  -4.875
  239   2HB   ALA  34          2HB       ALA  34   2.573   5.626  -6.471
  240   3HB   ALA  34          3HB       ALA  34   1.856   7.172  -5.981
  241    H    CYS  35           H        CYS  35  -1.776   4.357  -6.431
  242    HA   CYS  35           HA       CYS  35  -0.509   1.674  -6.186
  243   1HB   CYS  35          1HB       CYS  35  -1.764   2.543  -4.114
  244   2HB   CYS  35          2HB       CYS  35  -3.230   2.417  -5.091
  245    H    LYS  36           H        LYS  36  -0.950   0.402  -7.910
  246    HA   LYS  36           HA       LYS  36  -3.168   1.112  -9.769
  247   1HB   LYS  36          1HB       LYS  36  -0.417  -0.050 -10.067
  248   2HB   LYS  36          2HB       LYS  36  -1.661  -0.680 -11.133
  249   1HG   LYS  36          1HG       LYS  36  -1.152   2.303 -10.840
  250   2HG   LYS  36          2HG       LYS  36  -0.281   1.273 -11.992
  251   1HD   LYS  36          1HD       LYS  36  -2.477   0.518 -12.950
  252   2HD   LYS  36          2HD       LYS  36  -3.305   1.724 -11.952
  253   1HE   LYS  36          1HE       LYS  36  -1.142   2.316 -14.030
  254   2HE   LYS  36          2HE       LYS  36  -2.886   2.460 -14.300
  255   1HZ   LYS  36          1HZ       LYS  36  -2.981   4.116 -12.605
  256   2HZ   LYS  36          2HZ       LYS  36  -1.363   3.989 -12.312
  257   3HZ   LYS  36          3HZ       LYS  36  -1.897   4.552 -13.765
  258    H    SER  37           H        SER  37  -1.685  -1.521  -7.913
  259    HA   SER  37           HA       SER  37  -4.106  -3.214  -8.407
  260   1HB   SER  37          1HB       SER  37  -1.946  -4.238  -8.985
  261   2HB   SER  37          2HB       SER  37  -1.409  -4.046  -7.302
  262    HG   SER  37           HG       SER  37  -3.237  -5.331  -6.713
  263    H    CYS  38           H        CYS  38  -5.528  -2.957  -6.908
  264    HA   CYS  38           HA       CYS  38  -4.828  -2.595  -4.028
  265   1HB   CYS  38          1HB       CYS  38  -5.510  -0.441  -5.037
  266   2HB   CYS  38          2HB       CYS  38  -6.992  -1.192  -5.632
  267    H    LEU  39           H        LEU  39  -6.062  -3.868  -2.681
  268    HA   LEU  39           HA       LEU  39  -8.267  -5.504  -3.783
  269   1HB   LEU  39          1HB       LEU  39  -5.620  -6.455  -3.649
  270   2HB   LEU  39          2HB       LEU  39  -6.357  -7.113  -2.196
  271    HG   LEU  39           HG       LEU  39  -7.362  -7.416  -5.058
  272   1HD1  LEU  39          1HD1      LEU  39  -6.673  -9.791  -4.794
  273   2HD1  LEU  39          2HD1      LEU  39  -5.314  -8.666  -4.708
  274   3HD1  LEU  39          3HD1      LEU  39  -5.960  -9.392  -3.215
  275   1HD2  LEU  39          1HD2      LEU  39  -8.418  -8.592  -2.444
  276   2HD2  LEU  39          2HD2      LEU  39  -9.305  -7.599  -3.630
  277   3HD2  LEU  39          3HD2      LEU  39  -8.829  -9.241  -4.042
  278    H    CYS  40           H        CYS  40  -9.581  -6.448  -2.110
  279    HA   CYS  40           HA       CYS  40  -9.192  -5.346   0.605
  280   1HB   CYS  40          1HB       CYS  40 -11.822  -5.252  -0.898
  281   2HB   CYS  40          2HB       CYS  40 -11.427  -4.422   0.593
  282    H    THR  41           H        THR  41 -10.603  -6.294   2.216
  283    HA   THR  41           HA       THR  41 -10.939  -9.195   1.650
  284    HB   THR  41           HB       THR  41  -9.519  -8.586   3.555
  285    HG1  THR  41           HG1      THR  41 -10.653 -10.522   3.529
  286   1HG2  THR  41          1HG2      THR  41 -10.539  -7.780   5.641
  287   2HG2  THR  41          2HG2      THR  41 -10.633  -6.549   4.373
  288   3HG2  THR  41          3HG2      THR  41 -12.077  -7.493   4.811
  289    H    ARG  42           H        ARG  42 -12.863 -10.271   2.230
  290    HA   ARG  42           HA       ARG  42 -15.316  -8.620   2.051
  291   1HB   ARG  42          1HB       ARG  42 -16.383 -10.658   1.330
  292   2HB   ARG  42          2HB       ARG  42 -14.999 -10.258   0.306
  293   1HG   ARG  42          1HG       ARG  42 -13.635 -11.953   1.449
  294   2HG   ARG  42          2HG       ARG  42 -14.997 -12.339   2.528
  295   1HD   ARG  42          1HD       ARG  42 -16.357 -13.024   0.597
  296   2HD   ARG  42          2HD       ARG  42 -15.058 -12.601  -0.519
  297    HE   ARG  42           HE       ARG  42 -15.338 -14.995   1.103
  298   1HH1  ARG  42          1HH1      ARG  42 -12.931 -12.928  -0.498
  299   2HH1  ARG  42          2HH1      ARG  42 -11.772 -14.218  -0.692
  300   1HH2  ARG  42          1HH2      ARG  42 -13.816 -16.678   0.817
  301   2HH2  ARG  42          2HH2      ARG  42 -12.278 -16.355   0.061
  302    H    SER  43           H        SER  43 -13.519  -9.286   4.573
  303    HA   SER  43           HA       SER  43 -15.260 -10.636   6.367
  304   1HB   SER  43          1HB       SER  43 -13.124  -8.530   6.897
  305   2HB   SER  43          2HB       SER  43 -13.750  -9.720   8.044
  306    HG   SER  43           HG       SER  43 -12.942 -11.353   6.607
  307    H    PHE  44           H        PHE  44 -15.884  -9.222   8.430
  308    HA   PHE  44           HA       PHE  44 -17.259  -6.724   7.572
  309   1HB   PHE  44          1HB       PHE  44 -18.890  -8.466   7.838
  310   2HB   PHE  44          2HB       PHE  44 -18.275  -8.860   9.442
  311    HD1  PHE  44           HD1      PHE  44 -19.135  -7.723  11.360
  312    HD2  PHE  44           HD2      PHE  44 -19.775  -6.053   7.432
  313    HE1  PHE  44           HE1      PHE  44 -20.619  -5.994  12.332
  314    HE2  PHE  44           HE2      PHE  44 -21.236  -4.307   8.419
  315    HZ   PHE  44           HZ       PHE  44 -21.661  -4.275  10.869
  316    HA   PRO  45           HA       PRO  45 -17.131  -4.640   7.994
  317   1HB   PRO  45          1HB       PRO  45 -15.453  -2.542   8.264
  318   2HB   PRO  45          2HB       PRO  45 -16.816  -2.846   9.371
  319   1HG   PRO  45          1HG       PRO  45 -13.922  -3.652   9.806
  320   2HG   PRO  45          2HG       PRO  45 -14.975  -2.735  10.918
  321   1HD   PRO  45          1HD       PRO  45 -14.655  -5.426  11.150
  322   2HD   PRO  45          2HD       PRO  45 -16.259  -4.683  11.410
  323    HA   PRO  46           HA       PRO  46 -13.780  -5.827   5.092
  324   1HB   PRO  46          1HB       PRO  46 -14.690  -4.742   2.797
  325   2HB   PRO  46          2HB       PRO  46 -15.556  -6.077   3.608
  326   1HG   PRO  46          1HG       PRO  46 -16.187  -3.118   3.752
  327   2HG   PRO  46          2HG       PRO  46 -17.309  -4.472   3.449
  328   1HD   PRO  46          1HD       PRO  46 -16.928  -3.343   5.945
  329   2HD   PRO  46          2HD       PRO  46 -17.349  -5.066   5.708
  330    H    GLN  47           H        GLN  47 -11.771  -4.904   4.968
  331    HA   GLN  47           HA       GLN  47 -11.491  -1.959   4.558
  332   1HB   GLN  47          1HB       GLN  47  -9.821  -3.968   6.129
  333   2HB   GLN  47          2HB       GLN  47  -9.203  -2.427   5.543
  334   1HG   GLN  47          1HG       GLN  47  -9.845  -2.124   7.831
  335   2HG   GLN  47          2HG       GLN  47 -10.927  -1.188   6.788
  336   1HE2  GLN  47          1HE2      GLN  47 -10.685  -4.522   8.185
  337   2HE2  GLN  47          2HE2      GLN  47 -12.390  -4.654   8.575
  338    H    CYS  48           H        CYS  48  -9.552  -1.397   3.316
  339    HA   CYS  48           HA       CYS  48  -8.949  -3.385   1.191
  340   1HB   CYS  48          1HB       CYS  48  -9.322  -0.409   1.127
  341   2HB   CYS  48          2HB       CYS  48  -8.576  -1.308  -0.186
  342    H    ARG  49           H        ARG  49  -6.880  -2.920   0.077
  343    HA   ARG  49           HA       ARG  49  -4.647  -1.873   1.681
  344   1HB   ARG  49          1HB       ARG  49  -4.879  -3.952   2.768
  345   2HB   ARG  49          2HB       ARG  49  -5.209  -4.771   1.232
  346   1HG   ARG  49          1HG       ARG  49  -2.853  -4.387   0.520
  347   2HG   ARG  49          2HG       ARG  49  -2.535  -3.520   2.015
  348   1HD   ARG  49          1HD       ARG  49  -1.747  -5.910   1.981
  349   2HD   ARG  49          2HD       ARG  49  -2.809  -5.472   3.329
  350    HE   ARG  49           HE       ARG  49  -4.176  -7.139   2.720
  351   1HH1  ARG  49          1HH1      ARG  49  -2.650  -6.114  -0.352
  352   2HH1  ARG  49          2HH1      ARG  49  -3.721  -7.104  -1.306
  353   1HH2  ARG  49          1HH2      ARG  49  -5.463  -8.456   1.428
  354   2HH2  ARG  49          2HH2      ARG  49  -5.251  -8.490  -0.303
  355    H    CYS  50           H        CYS  50  -2.824  -1.691   0.462
  356    HA   CYS  50           HA       CYS  50  -3.233  -1.651  -2.484
  357   1HB   CYS  50          1HB       CYS  50  -2.458   0.422  -1.408
  358   2HB   CYS  50          2HB       CYS  50  -1.037  -0.430  -0.790
  359    H    TYR  51           H        TYR  51  -2.422  -3.218  -3.713
  360    HA   TYR  51           HA       TYR  51  -0.372  -5.098  -2.649
  361   1HB   TYR  51          1HB       TYR  51  -2.917  -5.556  -3.653
  362   2HB   TYR  51          2HB       TYR  51  -1.947  -5.783  -5.083
  363    HD1  TYR  51           HD1      TYR  51  -3.714  -7.726  -3.312
  364    HD2  TYR  51           HD2      TYR  51   0.530  -7.125  -3.761
  365    HE1  TYR  51           HE1      TYR  51  -3.307 -10.068  -2.629
  366    HE2  TYR  51           HE2      TYR  51   0.924  -9.467  -3.097
  367    HH   TYR  51           HH       TYR  51  -0.011 -11.456  -2.453
  368    H    ASP  52           H        ASP  52  -0.312  -2.322  -4.329
  369    HA   ASP  52           HA       ASP  52   0.722  -3.040  -6.869
  370   1HB   ASP  52          1HB       ASP  52  -0.273  -0.853  -6.357
  371   2HB   ASP  52          2HB       ASP  52   1.100  -0.459  -5.300
  372    HD2  ASP  52           HD2      ASP  52   2.929   0.763  -7.960
  373    H    ILE  53           H        ILE  53   2.796  -3.031  -7.684
  374    HA   ILE  53           HA       ILE  53   4.837  -3.925  -5.723
  375    HB   ILE  53           HB       ILE  53   4.477  -4.514  -8.685
  376   1HG1  ILE  53          1HG1      ILE  53   2.642  -5.535  -7.475
  377   2HG1  ILE  53          2HG1      ILE  53   3.787  -6.766  -7.987
  378   1HG2  ILE  53          1HG2      ILE  53   6.796  -4.716  -8.124
  379   2HG2  ILE  53          2HG2      ILE  53   6.412  -5.535  -6.601
  380   3HG2  ILE  53          3HG2      ILE  53   6.142  -6.361  -8.153
  381   1HD1  ILE  53          1HD1      ILE  53   4.733  -6.820  -5.655
  382   2HD1  ILE  53          2HD1      ILE  53   3.483  -5.652  -5.161
  383   3HD1  ILE  53          3HD1      ILE  53   3.018  -7.253  -5.747
  384    H    THR  54           H        THR  54   6.768  -2.958  -5.589
  385    HA   THR  54           HA       THR  54   7.666  -1.001  -7.632
  386    HB   THR  54           HB       THR  54   8.157   0.608  -5.746
  387    HG1  THR  54           HG1      THR  54   6.535  -1.208  -4.288
  388   1HG2  THR  54          1HG2      THR  54   5.978   1.529  -5.542
  389   2HG2  THR  54          2HG2      THR  54   6.129   0.868  -7.179
  390   3HG2  THR  54          3HG2      THR  54   5.197  -0.014  -5.943
  391    H    ASP  55           H        ASP  55   9.929  -0.139  -6.713
  392    HA   ASP  55           HA       ASP  55  11.537  -2.450  -5.701
  393   1HB   ASP  55          1HB       ASP  55  12.084  -1.588  -7.975
  394   2HB   ASP  55          2HB       ASP  55  12.408   0.004  -7.283
  395    HD2  ASP  55           HD2      ASP  55  14.950  -3.026  -6.267
  396    H    PHE  56           H        PHE  56  10.035   0.381  -4.749
  397    HA   PHE  56           HA       PHE  56  12.037   1.108  -2.664
  398   1HB   PHE  56          1HB       PHE  56  11.432   3.480  -3.209
  399   2HB   PHE  56          2HB       PHE  56  12.246   2.642  -4.496
  400    HD1  PHE  56           HD1      PHE  56   9.027   4.098  -3.395
  401    HD2  PHE  56           HD2      PHE  56  11.099   2.125  -6.621
  402    HE1  PHE  56           HE1      PHE  56   7.133   4.586  -4.907
  403    HE2  PHE  56           HE2      PHE  56   9.193   2.610  -8.132
  404    HZ   PHE  56           HZ       PHE  56   7.204   3.832  -7.276
  405    H    CYS  57           H        CYS  57  10.756   2.997  -1.407
  406    HA   CYS  57           HA       CYS  57   8.135   1.903  -0.453
  407   1HB   CYS  57          1HB       CYS  57   9.863   1.418   1.167
  408   2HB   CYS  57          2HB       CYS  57  10.450   3.090   1.097
  409    H    TYR  58           H        TYR  58   6.606   3.447   0.110
  410    HA   TYR  58           HA       TYR  58   6.773   6.013  -1.266
  411   1HB   TYR  58          1HB       TYR  58   4.628   4.785   0.491
  412   2HB   TYR  58          2HB       TYR  58   4.394   6.146  -0.556
  413    HD1  TYR  58           HD1      TYR  58   4.518   2.524  -0.369
  414    HD2  TYR  58           HD2      TYR  58   4.472   5.889  -3.059
  415    HE1  TYR  58           HE1      TYR  58   3.883   1.019  -2.233
  416    HE2  TYR  58           HE2      TYR  58   3.941   4.365  -4.945
  417    HH   TYR  58           HH       TYR  58   3.440   0.850  -4.485
  418    HA   PRO  59           HA       PRO  59   7.830   8.412   2.369
  419   1HB   PRO  59          1HB       PRO  59   6.070  10.552   2.317
  420   2HB   PRO  59          2HB       PRO  59   7.477  10.381   1.224
  421   1HG   PRO  59          1HG       PRO  59   4.613   9.591   0.687
  422   2HG   PRO  59          2HG       PRO  59   5.675  10.583  -0.359
  423   1HD   PRO  59          1HD       PRO  59   5.386   7.987  -0.878
  424   2HD   PRO  59          2HD       PRO  59   7.027   8.669  -0.912
  425    H    SER  60           H        SER  60   7.003   9.025   4.558
  426    HA   SER  60           HA       SER  60   5.370   6.998   5.578
  427   1HB   SER  60          1HB       SER  60   5.386   8.665   7.617
  428   2HB   SER  60          2HB       SER  60   6.781   7.702   7.159
  429    HG   SER  60           HG       SER  60   7.701   9.498   6.227
  430    H    CYS  61           H        CYS  61   3.346   6.912   6.212
  431    HA   CYS  61           HA       CYS  61   1.455   9.051   5.351
  432   1HB   CYS  61          1HB       CYS  61   1.457   6.213   5.058
  433   2HB   CYS  61          2HB       CYS  61   0.203   6.554   6.207
  434    H    SER  62           H        SER  62  -0.692   8.615   6.841
  435    HA   SER  62           HA       SER  62   0.063   9.628   9.483
  436   1HB   SER  62          1HB       SER  62  -2.677   9.055   8.290
  437   2HB   SER  62          2HB       SER  62  -2.311  10.055   9.713
  438    HG   SER  62           HG       SER  62  -2.610  11.266   7.760
  Start of MODEL   15
    1   1H    THR   1          1H        THR   1   0.105  18.884 -11.106
    2   2H    THR   1          2H        THR   1  -0.089  17.477 -10.250
    3   3H    THR   1          3H        THR   1  -1.085  18.758  -9.968
    4    HA   THR   1           HA       THR   1   1.792  18.790  -9.474
    5    HB   THR   1           HB       THR   1   1.277  20.850  -8.217
    6    HG1  THR   1           HG1      THR   1  -0.816  21.740  -8.500
    7   1HG2  THR   1          1HG2      THR   1   1.935  20.957 -10.639
    8   2HG2  THR   1          2HG2      THR   1   0.212  21.027 -11.072
    9   3HG2  THR   1          3HG2      THR   1   0.939  22.320 -10.105
   10    H    LYS   2           H        LYS   2   1.923  19.341  -6.865
   11    HA   LYS   2           HA       LYS   2   1.418  16.858  -5.637
   12   1HB   LYS   2          1HB       LYS   2   3.203  18.452  -5.009
   13   2HB   LYS   2          2HB       LYS   2   1.985  19.536  -4.311
   14   1HG   LYS   2          1HG       LYS   2   1.277  17.622  -2.794
   15   2HG   LYS   2          2HG       LYS   2   2.632  16.679  -3.426
   16   1HD   LYS   2          1HD       LYS   2   2.869  19.372  -2.000
   17   2HD   LYS   2          2HD       LYS   2   3.023  17.792  -1.216
   18   1HE   LYS   2          1HE       LYS   2   4.948  17.241  -2.705
   19   2HE   LYS   2          2HE       LYS   2   4.859  18.873  -3.401
   20   1HZ   LYS   2          1HZ       LYS   2   6.481  18.693  -1.656
   21   2HZ   LYS   2          2HZ       LYS   2   5.300  19.768  -1.251
   22   3HZ   LYS   2          3HZ       LYS   2   5.322  18.269  -0.566
   23    H    SER   3           H        SER   3  -0.580  16.076  -5.314
   24    HA   SER   3           HA       SER   3  -2.891  17.786  -4.789
   25   1HB   SER   3          1HB       SER   3  -4.099  15.633  -5.102
   26   2HB   SER   3          2HB       SER   3  -2.949  15.935  -6.411
   27    HG   SER   3           HG       SER   3  -2.606  14.214  -4.181
   28    H    THR   4           H        THR   4  -4.510  16.557  -3.185
   29    HA   THR   4           HA       THR   4  -3.397  16.331  -0.514
   30    HB   THR   4           HB       THR   4  -5.710  17.079  -0.942
   31    HG1  THR   4           HG1      THR   4  -6.615  15.762   0.666
   32   1HG2  THR   4          1HG2      THR   4  -6.252  14.201  -1.817
   33   2HG2  THR   4          2HG2      THR   4  -7.469  15.448  -1.503
   34   3HG2  THR   4          3HG2      THR   4  -6.342  15.641  -2.852
   35    H    THR   5           H        THR   5  -3.952  14.227   0.663
   36    HA   THR   5           HA       THR   5  -2.324  12.513   0.981
   37    HB   THR   5           HB       THR   5  -4.461  12.003   1.797
   38    HG1  THR   5           HG1      THR   5  -2.955  10.319   1.793
   39   1HG2  THR   5          1HG2      THR   5  -5.271  10.858  -0.908
   40   2HG2  THR   5          2HG2      THR   5  -6.193  10.802   0.599
   41   3HG2  THR   5          3HG2      THR   5  -5.884  12.358  -0.181
   42    H    THR   6           H        THR   6  -0.655  12.662  -0.477
   43    HA   THR   6           HA       THR   6  -0.703  11.628  -3.152
   44    HB   THR   6           HB       THR   6   1.728  12.007  -2.993
   45    HG1  THR   6           HG1      THR   6   1.957  11.405  -0.787
   46   1HG2  THR   6          1HG2      THR   6   0.105  14.286  -1.784
   47   2HG2  THR   6          2HG2      THR   6   1.680  14.413  -2.582
   48   3HG2  THR   6          3HG2      THR   6   0.255  13.915  -3.515
   49    H    ALA   7           H        ALA   7   1.165  10.048  -3.721
   50    HA   ALA   7           HA       ALA   7   0.395   7.466  -2.878
   51   1HB   ALA   7          1HB       ALA   7   1.429   7.896  -5.038
   52   2HB   ALA   7          2HB       ALA   7   2.963   8.338  -4.249
   53   3HB   ALA   7          3HB       ALA   7   2.339   6.678  -4.116
   54    H    CYS   8           H        CYS   8   0.695   6.563  -0.982
   55    HA   CYS   8           HA       CYS   8   3.142   7.055   0.648
   56   1HB   CYS   8          1HB       CYS   8   1.813   7.614   2.527
   57   2HB   CYS   8          2HB       CYS   8   1.275   8.652   1.245
   58    H    CYS   9           H        CYS   9   2.465   5.780   2.785
   59    HA   CYS   9           HA       CYS   9   1.126   3.302   2.631
   60   1HB   CYS   9          1HB       CYS   9   3.198   2.855   1.121
   61   2HB   CYS   9          2HB       CYS   9   4.160   3.065   2.575
   62    H    ASP  10           H        ASP  10   1.767   2.026   4.738
   63    HA   ASP  10           HA       ASP  10   2.979   3.855   6.787
   64   1HB   ASP  10          1HB       ASP  10   0.646   3.264   7.260
   65   2HB   ASP  10          2HB       ASP  10   1.055   1.545   7.181
   66    HD2  ASP  10           HD2      ASP  10   3.196   3.007  10.191
   67    H    PHE  11           H        PHE  11   2.546   0.352   6.013
   68    HA   PHE  11           HA       PHE  11   5.406  -0.124   6.721
   69   1HB   PHE  11          1HB       PHE  11   3.057  -2.007   6.895
   70   2HB   PHE  11          2HB       PHE  11   4.690  -2.276   7.483
   71    HD1  PHE  11           HD1      PHE  11   1.655  -2.095   8.793
   72    HD2  PHE  11           HD2      PHE  11   5.292   0.230   8.980
   73    HE1  PHE  11           HE1      PHE  11   0.994  -1.218  11.010
   74    HE2  PHE  11           HE2      PHE  11   4.610   1.109  11.183
   75    HZ   PHE  11           HZ       PHE  11   2.473   0.372  12.218
   76    H    CYS  12           H        CYS  12   6.472  -0.274   4.881
   77    HA   CYS  12           HA       CYS  12   5.440  -2.061   2.781
   78   1HB   CYS  12          1HB       CYS  12   7.062  -0.595   1.293
   79   2HB   CYS  12          2HB       CYS  12   5.350  -0.344   1.488
   80    HA   PRO  13           HA       PRO  13   9.387  -4.029   3.951
   81   1HB   PRO  13          1HB       PRO  13   8.573  -6.623   3.632
   82   2HB   PRO  13          2HB       PRO  13   8.291  -5.688   5.127
   83   1HG   PRO  13          1HG       PRO  13   6.374  -6.127   2.824
   84   2HG   PRO  13          2HG       PRO  13   6.056  -6.352   4.570
   85   1HD   PRO  13          1HD       PRO  13   5.339  -4.106   3.274
   86   2HD   PRO  13          2HD       PRO  13   5.983  -4.006   4.938
   87    H    CYS  14           H        CYS  14  10.627  -5.610   2.555
   88    HA   CYS  14           HA       CYS  14   9.829  -5.632  -0.276
   89   1HB   CYS  14          1HB       CYS  14  12.620  -5.011   0.745
   90   2HB   CYS  14          2HB       CYS  14  12.112  -5.059  -0.935
   91    H    THR  15           H        THR  15  10.879  -7.261  -1.503
   92    HA   THR  15           HA       THR  15  11.307  -9.740   0.035
   93    HB   THR  15           HB       THR  15  11.202 -10.745  -2.271
   94    HG1  THR  15           HG1      THR  15  10.412  -8.135  -3.038
   95   1HG2  THR  15          1HG2      THR  15   9.191 -10.572  -0.828
   96   2HG2  THR  15          2HG2      THR  15   8.835  -8.972  -1.512
   97   3HG2  THR  15          3HG2      THR  15   8.786 -10.412  -2.549
   98    H    ARG  16           H        ARG  16  13.083 -11.174  -0.659
   99    HA   ARG  16           HA       ARG  16  15.628  -9.659  -1.097
  100   1HB   ARG  16          1HB       ARG  16  15.078 -12.347   0.215
  101   2HB   ARG  16          2HB       ARG  16  16.665 -11.588   0.003
  102   1HG   ARG  16          1HG       ARG  16  15.947  -9.666   1.399
  103   2HG   ARG  16          2HG       ARG  16  14.375 -10.454   1.665
  104   1HD   ARG  16          1HD       ARG  16  15.539 -12.422   2.627
  105   2HD   ARG  16          2HD       ARG  16  17.099 -11.591   2.433
  106    HE   ARG  16           HE       ARG  16  15.600  -9.798   3.871
  107   1HH1  ARG  16          1HH1      ARG  16  16.509 -13.197   4.356
  108   2HH1  ARG  16          2HH1      ARG  16  16.432 -13.102   6.095
  109   1HH2  ARG  16          1HH2      ARG  16  15.519  -9.681   6.152
  110   2HH2  ARG  16          2HH2      ARG  16  15.874 -11.086   7.124
  111    H    SER  17           H        SER  17  13.831 -10.398  -3.288
  112    HA   SER  17           HA       SER  17  15.162 -12.588  -4.714
  113   1HB   SER  17          1HB       SER  17  13.365 -11.777  -6.435
  114   2HB   SER  17          2HB       SER  17  12.839 -12.593  -4.962
  115    HG   SER  17           HG       SER  17  11.641 -10.704  -5.303
  116    H    ILE  18           H        ILE  18  15.389 -11.936  -7.141
  117    HA   ILE  18           HA       ILE  18  16.965  -9.431  -7.385
  118    HB   ILE  18           HB       ILE  18  18.349 -11.338  -6.915
  119   1HG1  ILE  18          1HG1      ILE  18  19.287  -9.440  -8.019
  120   2HG1  ILE  18          2HG1      ILE  18  20.066 -10.938  -8.522
  121   1HG2  ILE  18          1HG2      ILE  18  17.628 -12.571  -9.590
  122   2HG2  ILE  18          2HG2      ILE  18  18.865 -13.092  -8.448
  123   3HG2  ILE  18          3HG2      ILE  18  17.160 -13.169  -7.987
  124   1HD1  ILE  18          1HD1      ILE  18  19.840  -9.514 -10.435
  125   2HD1  ILE  18          2HD1      ILE  18  18.718 -10.864 -10.658
  126   3HD1  ILE  18          3HD1      ILE  18  18.117  -9.265 -10.155
  127    HA   PRO  19           HA       PRO  19  16.524  -7.562  -8.297
  128   1HB   PRO  19          1HB       PRO  19  14.614  -5.801  -9.011
  129   2HB   PRO  19          2HB       PRO  19  15.917  -6.299 -10.130
  130   1HG   PRO  19          1HG       PRO  19  13.094  -7.402  -9.972
  131   2HG   PRO  19          2HG       PRO  19  13.957  -6.816 -11.427
  132   1HD   PRO  19          1HD       PRO  19  13.863  -9.464 -10.759
  133   2HD   PRO  19          2HD       PRO  19  15.331  -8.755 -11.486
  134    HA   PRO  20           HA       PRO  20  13.574  -8.123  -4.912
  135   1HB   PRO  20          1HB       PRO  20  14.107  -6.031  -3.285
  136   2HB   PRO  20          2HB       PRO  20  15.286  -7.343  -3.580
  137   1HG   PRO  20          1HG       PRO  20  15.183  -4.630  -4.928
  138   2HG   PRO  20          2HG       PRO  20  16.597  -5.430  -4.184
  139   1HD   PRO  20          1HD       PRO  20  16.073  -5.548  -6.880
  140   2HD   PRO  20          2HD       PRO  20  16.827  -6.911  -6.000
  141    H    GLN  21           H        GLN  21  11.448  -7.592  -4.548
  142    HA   GLN  21           HA       GLN  21  10.280  -5.154  -5.840
  143   1HB   GLN  21          1HB       GLN  21   9.110  -7.860  -5.082
  144   2HB   GLN  21          2HB       GLN  21   8.179  -6.458  -5.586
  145   1HG   GLN  21          1HG       GLN  21   8.470  -7.023  -7.733
  146   2HG   GLN  21          2HG       GLN  21  10.205  -6.745  -7.580
  147   1HE2  GLN  21          1HE2      GLN  21  11.596  -8.603  -6.996
  148   2HE2  GLN  21          2HE2      GLN  21  11.033 -10.226  -7.314
  149    H    CYS  22           H        CYS  22   9.416  -3.673  -4.498
  150    HA   CYS  22           HA       CYS  22   9.006  -4.305  -1.611
  151   1HB   CYS  22          1HB       CYS  22   9.389  -1.681  -2.987
  152   2HB   CYS  22          2HB       CYS  22   9.092  -1.888  -1.260
  153    H    GLN  23           H        GLN  23   7.068  -3.884  -0.702
  154    HA   GLN  23           HA       GLN  23   4.846  -2.759  -2.233
  155   1HB   GLN  23          1HB       GLN  23   3.563  -4.788  -2.086
  156   2HB   GLN  23          2HB       GLN  23   4.976  -5.078  -3.092
  157   1HG   GLN  23          1HG       GLN  23   4.607  -5.939  -0.170
  158   2HG   GLN  23          2HG       GLN  23   4.398  -6.972  -1.583
  159   1HE2  GLN  23          1HE2      GLN  23   6.495  -6.663  -3.192
  160   2HE2  GLN  23          2HE2      GLN  23   8.007  -6.967  -2.358
  161    H    CYS  24           H        CYS  24   2.783  -3.001  -0.840
  162    HA   CYS  24           HA       CYS  24   3.520  -2.316   1.963
  163   1HB   CYS  24          1HB       CYS  24   1.123  -1.656   0.299
  164   2HB   CYS  24          2HB       CYS  24   1.268  -1.268   2.006
  165    H    THR  25           H        THR  25   2.550  -3.244   3.652
  166    HA   THR  25           HA       THR  25   0.784  -5.619   3.187
  167    HB   THR  25           HB       THR  25   3.016  -6.223   3.966
  168    HG1  THR  25           HG1      THR  25   0.882  -6.508   5.800
  169   1HG2  THR  25          1HG2      THR  25   3.587  -4.163   5.194
  170   2HG2  THR  25          2HG2      THR  25   2.340  -4.521   6.407
  171   3HG2  THR  25          3HG2      THR  25   3.746  -5.597   6.220
  172    H    ASP  26           H        ASP  26   1.054  -2.465   4.638
  173    HA   ASP  26           HA       ASP  26  -0.632  -2.844   6.864
  174   1HB   ASP  26          1HB       ASP  26   0.807  -0.908   6.629
  175   2HB   ASP  26          2HB       ASP  26  -0.075  -0.375   5.183
  176    HD2  ASP  26           HD2      ASP  26  -2.090  -0.159   8.722
  177    H    VAL  27           H        VAL  27  -2.735  -2.053   7.178
  178    HA   VAL  27           HA       VAL  27  -4.613  -2.223   4.860
  179    HB   VAL  27           HB       VAL  27  -4.923  -3.457   7.635
  180   1HG1  VAL  27          1HG1      VAL  27  -7.080  -2.622   6.829
  181   2HG1  VAL  27          2HG1      VAL  27  -6.830  -3.410   5.251
  182   3HG1  VAL  27          3HG1      VAL  27  -7.038  -4.388   6.720
  183   1HG2  VAL  27          1HG2      VAL  27  -5.021  -5.602   6.342
  184   2HG2  VAL  27          2HG2      VAL  27  -4.604  -4.707   4.866
  185   3HG2  VAL  27          3HG2      VAL  27  -3.447  -4.812   6.210
  186    H    ARG  28           H        ARG  28  -6.322  -0.783   4.931
  187    HA   ARG  28           HA       ARG  28  -6.791   1.076   7.100
  188   1HB   ARG  28          1HB       ARG  28  -4.544   1.719   5.770
  189   2HB   ARG  28          2HB       ARG  28  -5.661   2.307   4.575
  190   1HG   ARG  28          1HG       ARG  28  -5.137   4.179   5.895
  191   2HG   ARG  28          2HG       ARG  28  -6.738   3.720   6.479
  192   1HD   ARG  28          1HD       ARG  28  -5.300   4.315   8.308
  193   2HD   ARG  28          2HD       ARG  28  -5.721   2.597   8.431
  194    HE   ARG  28           HE       ARG  28  -3.319   2.636   7.033
  195   1HH1  ARG  28          1HH1      ARG  28  -4.400   3.823  10.184
  196   2HH1  ARG  28          2HH1      ARG  28  -2.836   3.625  10.936
  197   1HH2  ARG  28          1HH2      ARG  28  -1.311   2.353   8.004
  198   2HH2  ARG  28          2HH2      ARG  28  -1.036   2.764   9.676
  199    H    GLU  29           H        GLU  29  -7.680   3.071   4.975
  200    HA   GLU  29           HA       GLU  29 -10.079   1.693   3.962
  201   1HB   GLU  29          1HB       GLU  29 -10.134   3.866   5.325
  202   2HB   GLU  29          2HB       GLU  29  -9.460   4.675   3.908
  203   1HG   GLU  29          1HG       GLU  29 -11.439   3.727   2.590
  204   2HG   GLU  29          2HG       GLU  29 -12.043   3.051   4.105
  205    HE2  GLU  29           HE2      GLU  29 -12.937   6.236   5.427
  206    H    LYS  30           H        LYS  30  -9.621   4.206   1.925
  207    HA   LYS  30           HA       LYS  30  -9.346   2.466  -0.216
  208   1HB   LYS  30          1HB       LYS  30  -9.521   4.468  -1.587
  209   2HB   LYS  30          2HB       LYS  30 -10.622   4.512  -0.228
  210   1HG   LYS  30          1HG       LYS  30  -8.951   6.022   0.990
  211   2HG   LYS  30          2HG       LYS  30  -7.939   5.963  -0.457
  212   1HD   LYS  30          1HD       LYS  30  -9.113   7.994  -0.580
  213   2HD   LYS  30          2HD       LYS  30  -9.882   6.929  -1.768
  214   1HE   LYS  30          1HE       LYS  30 -11.730   6.476  -0.145
  215   2HE   LYS  30          2HE       LYS  30 -10.912   7.485   1.062
  216   1HZ   LYS  30          1HZ       LYS  30 -12.634   8.658  -0.051
  217   2HZ   LYS  30          2HZ       LYS  30 -11.180   9.343  -0.416
  218   3HZ   LYS  30          3HZ       LYS  30 -11.948   8.395  -1.526
  219    H    CYS  31           H        CYS  31  -8.005   3.031  -2.149
  220    HA   CYS  31           HA       CYS  31  -5.281   2.339  -1.607
  221   1HB   CYS  31          1HB       CYS  31  -6.025   3.302  -4.315
  222   2HB   CYS  31          2HB       CYS  31  -5.140   1.869  -3.819
  223    H    HIS  32           H        HIS  32  -3.369   3.641  -2.135
  224    HA   HIS  32           HA       HIS  32  -3.742   6.520  -1.918
  225   1HB   HIS  32          1HB       HIS  32  -1.366   6.667  -1.732
  226   2HB   HIS  32          2HB       HIS  32  -2.014   5.476  -0.666
  227    HD1  HIS  32           HD1      HIS  32   0.150   5.703  -3.814
  228    HD2  HIS  32           HD2      HIS  32  -1.137   2.961  -0.908
  229    HE1  HIS  32           HE1      HIS  32   1.652   3.653  -3.995
  230    HE2  HIS  32           HE2      HIS  32   0.865   1.933  -2.284
  231    H    SER  33           H        SER  33  -1.980   7.715  -3.310
  232    HA   SER  33           HA       SER  33  -3.189   7.804  -5.918
  233   1HB   SER  33          1HB       SER  33  -2.566   9.773  -4.483
  234   2HB   SER  33          2HB       SER  33  -0.876   9.424  -4.895
  235    HG   SER  33           HG       SER  33  -1.497   9.624  -7.104
  236    H    ALA  34           H        ALA  34  -1.344   5.392  -5.321
  237    HA   ALA  34           HA       ALA  34  -0.317   5.290  -8.015
  238   1HB   ALA  34          1HB       ALA  34   1.595   6.507  -7.010
  239   2HB   ALA  34          2HB       ALA  34   1.757   5.233  -5.783
  240   3HB   ALA  34          3HB       ALA  34   2.039   4.865  -7.494
  241    H    CYS  35           H        CYS  35  -2.128   3.730  -7.553
  242    HA   CYS  35           HA       CYS  35  -1.066   1.161  -6.484
  243   1HB   CYS  35          1HB       CYS  35  -3.812   2.381  -6.162
  244   2HB   CYS  35          2HB       CYS  35  -3.406   0.702  -5.766
  245    H    LYS  36           H        LYS  36  -0.962  -0.369  -7.881
  246    HA   LYS  36           HA       LYS  36  -2.568  -0.338 -10.383
  247   1HB   LYS  36          1HB       LYS  36   0.216  -0.725  -9.861
  248   2HB   LYS  36          2HB       LYS  36  -0.412  -2.313 -10.288
  249   1HG   LYS  36          1HG       LYS  36  -0.822   0.222 -11.938
  250   2HG   LYS  36          2HG       LYS  36   0.493  -0.941 -12.170
  251   1HD   LYS  36          1HD       LYS  36  -1.127  -2.740 -12.664
  252   2HD   LYS  36          2HD       LYS  36  -2.474  -1.627 -12.387
  253   1HE   LYS  36          1HE       LYS  36  -2.093  -1.869 -14.775
  254   2HE   LYS  36          2HE       LYS  36  -1.729  -0.209 -14.274
  255   1HZ   LYS  36          1HZ       LYS  36   0.257  -2.329 -14.727
  256   2HZ   LYS  36          2HZ       LYS  36  -0.098  -1.107 -15.771
  257   3HZ   LYS  36          3HZ       LYS  36   0.587  -0.767 -14.315
  258    H    SER  37           H        SER  37  -1.742  -2.067  -7.445
  259    HA   SER  37           HA       SER  37  -3.984  -3.976  -7.908
  260   1HB   SER  37          1HB       SER  37  -1.782  -5.135  -7.826
  261   2HB   SER  37          2HB       SER  37  -1.476  -4.415  -6.242
  262    HG   SER  37           HG       SER  37  -2.391  -6.517  -6.110
  263    H    CYS  38           H        CYS  38  -5.580  -3.738  -6.463
  264    HA   CYS  38           HA       CYS  38  -5.155  -2.798  -3.757
  265   1HB   CYS  38          1HB       CYS  38  -5.350  -0.700  -5.125
  266   2HB   CYS  38          2HB       CYS  38  -6.941  -1.230  -5.667
  267    H    LEU  39           H        LEU  39  -6.859  -3.468  -2.390
  268    HA   LEU  39           HA       LEU  39  -9.144  -4.891  -3.565
  269   1HB   LEU  39          1HB       LEU  39  -6.861  -6.358  -3.388
  270   2HB   LEU  39          2HB       LEU  39  -7.328  -6.441  -1.720
  271    HG   LEU  39           HG       LEU  39  -9.472  -7.536  -2.347
  272   1HD1  LEU  39          1HD1      LEU  39  -8.323  -7.384  -5.175
  273   2HD1  LEU  39          2HD1      LEU  39  -9.681  -8.418  -4.687
  274   3HD1  LEU  39          3HD1      LEU  39  -9.852  -6.664  -4.623
  275   1HD2  LEU  39          1HD2      LEU  39  -8.458  -9.666  -3.004
  276   2HD2  LEU  39          2HD2      LEU  39  -6.978  -8.826  -3.515
  277   3HD2  LEU  39          3HD2      LEU  39  -7.448  -8.843  -1.803
  278    H    CYS  40           H        CYS  40 -10.482  -5.933  -1.766
  279    HA   CYS  40           HA       CYS  40 -10.083  -4.713   0.879
  280   1HB   CYS  40          1HB       CYS  40 -12.723  -4.789  -0.577
  281   2HB   CYS  40          2HB       CYS  40 -12.477  -4.237   1.072
  282    H    THR  41           H        THR  41 -11.369  -5.747   2.541
  283    HA   THR  41           HA       THR  41 -11.138  -8.654   2.336
  284    HB   THR  41           HB       THR  41 -11.906  -8.544   4.718
  285    HG1  THR  41           HG1      THR  41 -13.036  -6.521   4.437
  286   1HG2  THR  41          1HG2      THR  41  -9.836  -7.521   5.575
  287   2HG2  THR  41          2HG2      THR  41  -9.525  -8.563   4.171
  288   3HG2  THR  41          3HG2      THR  41  -9.521  -6.795   3.985
  289    H    ARG  42           H        ARG  42 -12.801 -10.110   2.641
  290    HA   ARG  42           HA       ARG  42 -15.528  -9.237   1.851
  291   1HB   ARG  42          1HB       ARG  42 -15.831 -11.621   1.306
  292   2HB   ARG  42          2HB       ARG  42 -14.605 -10.808   0.323
  293   1HG   ARG  42          1HG       ARG  42 -12.808 -11.856   1.542
  294   2HG   ARG  42          2HG       ARG  42 -13.937 -12.528   2.736
  295   1HD   ARG  42          1HD       ARG  42 -15.031 -13.835   0.857
  296   2HD   ARG  42          2HD       ARG  42 -13.785 -13.214  -0.229
  297    HE   ARG  42           HE       ARG  42 -12.262 -14.693   0.624
  298   1HH1  ARG  42          1HH1      ARG  42 -15.018 -14.552   2.869
  299   2HH1  ARG  42          2HH1      ARG  42 -14.478 -15.920   3.807
  300   1HH2  ARG  42          1HH2      ARG  42 -11.563 -16.468   1.883
  301   2HH2  ARG  42          2HH2      ARG  42 -12.503 -17.003   3.252
  302    H    SER  43           H        SER  43 -15.012  -8.455   4.322
  303    HA   SER  43           HA       SER  43 -16.831 -10.050   5.890
  304   1HB   SER  43          1HB       SER  43 -14.560 -11.067   6.381
  305   2HB   SER  43          2HB       SER  43 -14.046  -9.496   7.019
  306    HG   SER  43           HG       SER  43 -16.131 -11.203   7.940
  307    H    PHE  44           H        PHE  44 -16.272  -8.804   8.300
  308    HA   PHE  44           HA       PHE  44 -16.846  -5.931   7.775
  309   1HB   PHE  44          1HB       PHE  44 -18.932  -7.245   8.142
  310   2HB   PHE  44          2HB       PHE  44 -18.367  -7.615   9.768
  311    HD1  PHE  44           HD1      PHE  44 -19.640  -4.996   7.492
  312    HD2  PHE  44           HD2      PHE  44 -18.244  -5.814  11.491
  313    HE1  PHE  44           HE1      PHE  44 -20.540  -2.815   8.256
  314    HE2  PHE  44           HE2      PHE  44 -19.146  -3.630  12.246
  315    HZ   PHE  44           HZ       PHE  44 -20.305  -2.135  10.634
  316    HA   PRO  45           HA       PRO  45 -16.527  -3.969   8.861
  317   1HB   PRO  45          1HB       PRO  45 -14.380  -2.279   9.099
  318   2HB   PRO  45          2HB       PRO  45 -15.568  -2.578  10.400
  319   1HG   PRO  45          1HG       PRO  45 -12.863  -3.875  10.034
  320   2HG   PRO  45          2HG       PRO  45 -13.546  -3.165  11.523
  321   1HD   PRO  45          1HD       PRO  45 -13.633  -5.851  11.015
  322   2HD   PRO  45          2HD       PRO  45 -14.982  -5.023  11.844
  323    HA   PRO  46           HA       PRO  46 -14.520  -4.960   4.956
  324   1HB   PRO  46          1HB       PRO  46 -15.498  -3.023   3.326
  325   2HB   PRO  46          2HB       PRO  46 -16.532  -4.295   4.036
  326   1HG   PRO  46          1HG       PRO  46 -16.156  -1.463   5.051
  327   2HG   PRO  46          2HG       PRO  46 -17.686  -2.340   4.778
  328   1HD   PRO  46          1HD       PRO  46 -16.491  -2.193   7.242
  329   2HD   PRO  46          2HD       PRO  46 -17.396  -3.644   6.709
  330    H    GLN  47           H        GLN  47 -12.335  -4.672   5.387
  331    HA   GLN  47           HA       GLN  47 -11.153  -1.945   5.531
  332   1HB   GLN  47          1HB       GLN  47 -10.286  -4.733   6.383
  333   2HB   GLN  47          2HB       GLN  47  -9.240  -3.312   6.441
  334   1HG   GLN  47          1HG       GLN  47 -10.597  -2.205   8.056
  335   2HG   GLN  47          2HG       GLN  47 -11.912  -3.369   7.871
  336   1HE2  GLN  47          1HE2      GLN  47 -11.474  -5.661   8.470
  337   2HE2  GLN  47          2HE2      GLN  47 -10.362  -5.978   9.790
  338    H    CYS  48           H        CYS  48  -9.527  -1.351   4.084
  339    HA   CYS  48           HA       CYS  48  -9.148  -3.139   1.747
  340   1HB   CYS  48          1HB       CYS  48  -9.745  -0.200   1.920
  341   2HB   CYS  48          2HB       CYS  48  -9.348  -1.042   0.427
  342    H    ARG  49           H        ARG  49  -7.299  -2.837   0.485
  343    HA   ARG  49           HA       ARG  49  -5.058  -1.375   1.698
  344   1HB   ARG  49          1HB       ARG  49  -3.829  -3.142   2.213
  345   2HB   ARG  49          2HB       ARG  49  -5.369  -3.943   2.426
  346   1HG   ARG  49          1HG       ARG  49  -3.473  -4.123   0.045
  347   2HG   ARG  49          2HG       ARG  49  -3.723  -5.356   1.261
  348   1HD   ARG  49          1HD       ARG  49  -6.138  -4.495  -0.335
  349   2HD   ARG  49          2HD       ARG  49  -4.886  -5.411  -1.144
  350    HE   ARG  49           HE       ARG  49  -5.351  -7.287   0.034
  351   1HH1  ARG  49          1HH1      ARG  49  -7.221  -4.676   1.516
  352   2HH1  ARG  49          2HH1      ARG  49  -8.537  -5.718   1.998
  353   1HH2  ARG  49          1HH2      ARG  49  -7.145  -8.593   0.474
  354   2HH2  ARG  49          2HH2      ARG  49  -8.516  -7.956   1.349
  355    H    CYS  50           H        CYS  50  -3.192  -1.373   0.324
  356    HA   CYS  50           HA       CYS  50  -3.746  -1.600  -2.606
  357   1HB   CYS  50          1HB       CYS  50  -3.689   0.720  -2.138
  358   2HB   CYS  50          2HB       CYS  50  -2.269   0.563  -1.097
  359    H    TYR  51           H        TYR  51  -2.375  -2.987  -3.570
  360    HA   TYR  51           HA       TYR  51  -0.125  -4.083  -1.946
  361   1HB   TYR  51          1HB       TYR  51  -2.352  -5.341  -2.279
  362   2HB   TYR  51          2HB       TYR  51  -1.879  -5.543  -3.950
  363    HD1  TYR  51           HD1      TYR  51   1.179  -5.871  -2.131
  364    HD2  TYR  51           HD2      TYR  51  -2.567  -7.889  -2.891
  365    HE1  TYR  51           HE1      TYR  51   2.175  -8.004  -1.423
  366    HE2  TYR  51           HE2      TYR  51  -1.549 -10.028  -2.177
  367    HH   TYR  51           HH       TYR  51   0.322 -11.061  -1.316
  368    H    ASP  52           H        ASP  52   0.224  -1.906  -3.757
  369    HA   ASP  52           HA       ASP  52   0.852  -2.598  -6.397
  370   1HB   ASP  52          1HB       ASP  52   1.906  -0.402  -6.498
  371   2HB   ASP  52          2HB       ASP  52   0.408  -0.328  -5.566
  372    HD2  ASP  52           HD2      ASP  52   4.002   0.180  -3.722
  373    H    ILE  53           H        ILE  53   2.860  -2.803  -7.506
  374    HA   ILE  53           HA       ILE  53   5.107  -3.949  -5.898
  375    HB   ILE  53           HB       ILE  53   4.411  -4.392  -8.824
  376   1HG1  ILE  53          1HG1      ILE  53   2.729  -5.497  -7.476
  377   2HG1  ILE  53          2HG1      ILE  53   3.816  -6.671  -8.208
  378   1HG2  ILE  53          1HG2      ILE  53   6.801  -4.588  -8.489
  379   2HG2  ILE  53          2HG2      ILE  53   6.579  -5.524  -7.007
  380   3HG2  ILE  53          3HG2      ILE  53   6.148  -6.227  -8.580
  381   1HD1  ILE  53          1HD1      ILE  53   3.901  -5.753  -5.297
  382   2HD1  ILE  53          2HD1      ILE  53   3.287  -7.293  -5.909
  383   3HD1  ILE  53          3HD1      ILE  53   5.015  -6.925  -6.040
  384    H    THR  54           H        THR  54   6.336  -2.240  -5.439
  385    HA   THR  54           HA       THR  54   7.453  -0.650  -7.709
  386    HB   THR  54           HB       THR  54   8.035   0.989  -5.790
  387    HG1  THR  54           HG1      THR  54   7.580  -0.155  -3.976
  388   1HG2  THR  54          1HG2      THR  54   5.797   2.005  -5.850
  389   2HG2  THR  54          2HG2      THR  54   6.337   1.490  -7.457
  390   3HG2  THR  54          3HG2      THR  54   5.134   0.525  -6.578
  391    H    ASP  55           H        ASP  55   9.752   0.181  -6.755
  392    HA   ASP  55           HA       ASP  55  11.223  -2.241  -5.792
  393   1HB   ASP  55          1HB       ASP  55  11.587  -0.900  -8.150
  394   2HB   ASP  55          2HB       ASP  55  12.710  -0.024  -7.110
  395    HD2  ASP  55           HD2      ASP  55  14.568  -3.089  -6.462
  396    H    PHE  56           H        PHE  56   9.800   0.310  -4.529
  397    HA   PHE  56           HA       PHE  56  11.832   0.861  -2.466
  398   1HB   PHE  56          1HB       PHE  56  11.224   3.317  -2.757
  399   2HB   PHE  56          2HB       PHE  56  12.229   2.619  -4.003
  400    HD1  PHE  56           HD1      PHE  56  11.373   2.333  -6.303
  401    HD2  PHE  56           HD2      PHE  56   8.836   3.881  -3.176
  402    HE1  PHE  56           HE1      PHE  56   9.658   2.939  -7.990
  403    HE2  PHE  56           HE2      PHE  56   7.140   4.507  -4.871
  404    HZ   PHE  56           HZ       PHE  56   7.538   4.026  -7.275
  405    H    CYS  57           H        CYS  57  10.850   2.267  -0.821
  406    HA   CYS  57           HA       CYS  57   8.002   1.572  -0.207
  407   1HB   CYS  57          1HB       CYS  57   9.448   0.277   1.175
  408   2HB   CYS  57          2HB       CYS  57  10.441   1.694   1.555
  409    H    TYR  58           H        TYR  58   6.779   3.178   0.508
  410    HA   TYR  58           HA       TYR  58   7.583   5.909  -0.069
  411   1HB   TYR  58          1HB       TYR  58   4.968   4.719   0.947
  412   2HB   TYR  58          2HB       TYR  58   5.196   6.339   0.327
  413    HD1  TYR  58           HD1      TYR  58   5.464   6.773  -2.088
  414    HD2  TYR  58           HD2      TYR  58   4.906   2.768  -0.586
  415    HE1  TYR  58           HE1      TYR  58   4.772   6.016  -4.346
  416    HE2  TYR  58           HE2      TYR  58   4.206   2.022  -2.829
  417    HH   TYR  58           HH       TYR  58   3.768   2.645  -5.017
  418    HA   PRO  59           HA       PRO  59   8.021   7.052   4.305
  419   1HB   PRO  59          1HB       PRO  59   7.213   9.672   4.310
  420   2HB   PRO  59          2HB       PRO  59   8.757   9.131   3.590
  421   1HG   PRO  59          1HG       PRO  59   6.125   9.618   2.167
  422   2HG   PRO  59          2HG       PRO  59   7.743  10.242   1.723
  423   1HD   PRO  59          1HD       PRO  59   6.695   8.032   0.553
  424   2HD   PRO  59          2HD       PRO  59   8.437   8.103   0.943
  425    H    SER  60           H        SER  60   6.630   7.764   6.170
  426    HA   SER  60           HA       SER  60   4.341   6.214   6.158
  427   1HB   SER  60          1HB       SER  60   4.105   7.857   8.393
  428   2HB   SER  60          2HB       SER  60   4.846   6.259   8.270
  429    HG   SER  60           HG       SER  60   6.247   7.887   9.153
  430    H    CYS  61           H        CYS  61   2.278   6.554   5.867
  431    HA   CYS  61           HA       CYS  61   1.255   9.058   4.795
  432   1HB   CYS  61          1HB       CYS  61   0.636   6.496   4.326
  433   2HB   CYS  61          2HB       CYS  61  -0.574   6.794   5.558
  434    H    SER  62           H        SER  62  -1.201   9.433   5.737
  435    HA   SER  62           HA       SER  62  -1.026  10.187   8.580
  436   1HB   SER  62          1HB       SER  62  -2.057  11.699   6.890
  437   2HB   SER  62          2HB       SER  62  -3.289  10.463   6.553
  438    HG   SER  62           HG       SER  62  -2.790  11.707   9.060