*HEADER   HORMONE                                 13-JUL-98   1BKU    
*TITLE    EFFECTS OF GLYCOSYLATION ON THE STRUCTURE AND DYNAMICS OF   
*TITLE   2 EEL CALCITONIN, NMR, 10 STRUCTURES                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CALCITONIN;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: ANGUILLA JAPONICA;                    
*SOURCE  4 ORGANISM_COMMON: EEL                                       
*KEYWDS   HORMONE, CALCIUM-REGULATING HORMONE                         
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   Y.HASHIMOTO,J.NISHIKIDO,K.TOMA,K.YAMAMOTO,K.HANEDA,         
*AUTHOR  2 T.INAZU,K.VALENTINE,S.J.OPELLA                             
*REVDAT  1   13-JAN-99 1BKU    0                                      
 
!BIOSYM restraint 1
!
#chiral
1:CYSN_1:CA        R
1:SER_2:CA         S
1:ASN_3:CA         S
1:LEU_4:CA         S
1:SER_5:CA         S
1:THR_6:CA         S
1:THR_6:CB         R
1:CYS_7:CA         R
1:VAL_8:CA         S
1:LEU_9:CA         S
1:LYS_11:CA        S
1:LEU_12:CA        S
1:SER_13:CA        S
1:GLN_14:CA        S
1:GLU_15:CA        S
1:LEU_16:CA        S
1:HISD_17:CA       S
1:LYS_18:CA        S
1:LEU_19:CA        S
1:GLN_20:CA        S
1:THR_21:CA        S
1:THR_21:CB        R
1:TYR_22:CA        S
1:PRO_23:CA        S
1:ARG_24:CA        S
1:THR_25:CA        S
1:THR_25:CB        R
1:ASP_26:CA        S
1:VAL_27:CA        S
1:ALA_29:CA        S
1:THR_31:CA        S
1:THR_31:CB        R
1:PROC_32:CA       S
!
#distance
1:CYS_7:HB*        1:CYSN_1:S          2.500  3.500  1.00  1.00 1000.000
1:CYSN_1:HB*       1:CYS_7:S           2.500  3.500  1.00  1.00 1000.000
1:CYSN_1:S         1:CYS_7:S           1.900  2.100  1.00  1.00 1000.000
1:LEU_19:N         1:GLU_15:O          2.800  3.300  1.00  1.00 1000.000
1:LYS_18:N         1:GLN_14:O          2.800  3.300  1.00  1.00 1000.000
1:LEU_16:N         1:LEU_12:O          2.800  3.300  1.00  1.00 1000.000
1:GLU_15:N         1:LYS_11:O          2.800  3.300  1.00  1.00 1000.000
1:GLN_14:N         1:GLY_10:O          2.800  3.300  1.00  1.00 1000.000
1:SER_13:N         1:LEU_9:O           2.800  3.300  1.00  1.00 1000.000
1:LEU_12:N         1:VAL_8:O           2.800  3.300  1.00  1.00 1000.000
1:LYS_11:N         1:CYS_7:O           2.800  3.300  1.00  1.00 1000.000
1:GLY_10:N         1:THR_6:O           2.800  3.300  1.00  1.00 1000.000
1:LEU_9:N          1:SER_5:O           2.800  3.300  1.00  1.00 1000.000
1:LEU_9:HN         1:SER_5:O           1.800  2.200  1.00  1.00 1000.000
1:GLY_10:HN        1:THR_6:O           1.800  2.200  1.00  1.00 1000.000
1:LYS_11:HN        1:CYS_7:O           1.800  2.200  1.00  1.00 1000.000
1:LEU_12:HN        1:VAL_8:O           1.800  2.200  1.00  1.00 1000.000
1:SER_13:HN        1:LEU_9:O           1.800  2.200  1.00  1.00 1000.000
1:GLN_14:HN        1:GLY_10:O          1.800  2.200  1.00  1.00 1000.000
1:GLU_15:HN        1:LYS_11:O          1.800  2.200  1.00  1.00 1000.000
1:LEU_16:HN        1:LEU_12:O          1.800  2.200  1.00  1.00 1000.000
1:LYS_18:HN        1:GLN_14:O          1.800  2.200  1.00  1.00 1000.000
1:LEU_19:HN        1:GLU_15:O          1.800  2.200  1.00  1.00 1000.000
1:LEU_9:HN         1:VAL_8:HN          1.800  3.800  1.00  1.00 1000.000
1:CYS_7:HN         1:VAL_8:HN          1.800  2.900  1.00  1.00 1000.000
1:ASN_3:HN         1:LEU_4:HN          1.800  5.000  1.00  1.00 1000.000
1:SER_5:HN         1:LEU_4:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HN        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_6:HN         1:CYS_7:HN          1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HN        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HN        1:LEU_12:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HN        1:GLY_10:HN         1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HN       1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:GLU_15:HN        1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HN        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HN        1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
1:THR_21:HN        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HN        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_6:HN         1:SER_5:HN          1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HN        1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HN          1.800  3.800  1.00  1.00 1000.000
1:VAL_8:HA         1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:VAL_8:HA         1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HA2       1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HA1       1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HA        1:THR_21:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_20:HA        1:THR_21:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HB        1:THR_21:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_19:HA        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HB        1:TYR_22:HN         1.800  6.000  1.00  1.00 1000.000
1:LYS_11:HA        1:LYS_11:HN         1.800  3.800  1.00  1.00 1000.000
1:THR_21:HA        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:SER_5:HA         1:SER_5:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_9:HA         1:LEU_9:HN          1.800  2.900  1.00  1.00 1000.000
1:SER_5:HB*        1:SER_5:HN          1.800  4.800  1.00  1.00 1000.000
1:GLY_10:HA2       1:GLY_10:HN         1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HA1       1:GLY_10:HN         1.800  2.900  1.00  1.00 1000.000
1:THR_6:HA         1:THR_6:HN          1.800  3.800  1.00  1.00 1000.000
1:THR_6:HB         1:THR_6:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_5:HB*        1:THR_6:HN          1.800  4.800  1.00  1.00 1000.000
1:SER_5:HA         1:THR_6:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HA        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
1:THR_6:HA         1:GLY_10:HN         1.800  5.000  1.00  1.00 1000.000
1:THR_6:HA         1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:THR_6:HA         1:CYS_7:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_5:HA         1:VAL_8:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_16:HA        1:LEU_16:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_12:HA        1:LEU_12:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_4:HA         1:SER_5:HN          1.800  2.900  1.00  1.00 1000.000
1:LEU_4:HA         1:VAL_8:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_5:HA         1:CYS_7:HN          1.800  5.000  1.00  1.00 1000.000
1:THR_6:HB         1:CYS_7:HN          1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HA        1:LEU_12:HN         1.800  3.800  1.00  1.00 1000.000
1:GLU_15:HA        1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_19:HA        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_20:HA        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:GLU_15:HA        1:GLU_15:HN         1.800  3.800  1.00  1.00 1000.000
1:SER_13:HB*       1:GLN_14:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_16:HA        1:LEU_19:HN         1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:GLN_14:HN         1.800  2.900  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_19:HA        1:LEU_19:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HA        1:GLN_14:HN         1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HA       1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HA       1:GLN_20:HN         1.800  5.000  1.00  1.00 1000.000
1:HISD_17:HA       1:LYS_18:HN         1.800  3.800  1.00  1.00 1000.000
1:SER_2:HA         1:SER_2:HN          1.800  5.000  1.00  1.00 1000.000
1:TYR_22:HA        1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:ASN_3:HA         1:ASN_3:HN          1.800  5.000  1.00  1.00 1000.000
1:CYS_7:HA         1:VAL_8:HN          1.800  3.800  1.00  1.00 1000.000
1:GLY_10:HA2       1:SER_13:HN         1.800  5.000  1.00  1.00 1000.000
1:LEU_4:HA         1:LEU_4:HN          1.800  2.900  1.00  1.00 1000.000
1:SER_13:HB*       1:SER_13:HN         1.800  3.900  1.00  1.00 1000.000
1:ASN_3:HA         1:LEU_4:HN          1.800  3.800  1.00  1.00 1000.000
1:CYS_7:HA         1:CYS_7:HN          1.800  3.800  1.00  1.00 1000.000
1:SER_13:HA        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_16:HA        1:GLN_20:HN         1.800  5.000  1.00  1.00 1000.000
1:VAL_8:HA         1:LEU_12:HN         1.800  5.000  1.00  1.00 1000.000
1:LYS_11:HA        1:GLU_15:HN         1.800  5.000  1.00  1.00 1000.000
1:SER_2:HB*        1:SER_2:HN          1.800  4.800  1.00  1.00 1000.000
1:LEU_4:HA         1:CYS_7:HB*         1.800  4.800  1.00  1.00 1000.000
1:GLN_14:HA        1:HISD_17:HB*       1.800  3.800  1.00  1.00 1000.000
1:HISD_17:HA       1:HISD_17:HB*       1.800  4.800  1.00  1.00 1000.000
1:CYSN_1:HA        1:CYS_7:HB*         1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD1       1:TYR_22:HB*        1.800  6.000  1.00  1.00 1000.000
1:LEU_19:HA        1:TYR_22:HB*        1.800  6.000  1.00  1.00 1000.000
1:CYS_7:HA         1:CYS_7:HB*         1.800  3.900  1.00  1.00 1000.000
1:TYR_22:HA        1:TYR_22:HB*        1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD1       1:TYR_22:HN         1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD2       1:TYR_22:HN         1.800  5.000  1.00  1.00 1000.000
1:PRO_23:HD2       1:TYR_22:HD*        1.800  6.000  1.00  1.00 1000.000
1:PRO_23:HD1       1:TYR_22:HD*        1.800  6.000  1.00  1.00 1000.000
1:PRO_23:HD2       1:TYR_22:HB*        1.800  6.000  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HB          1.800  3.800  1.00  1.00 1000.000
1:PRO_23:HD1       1:PRO_23:HB*        1.800  3.800  1.00  1.00 1000.000
1:VAL_8:HA         1:LYS_11:HB*        1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HE*       1:LYS_18:HG*        1.800  5.800  1.00  1.00 1000.000
1:LYS_18:HE*       1:LYS_18:HD*        1.800  5.800  1.00  1.00 1000.000
1:LYS_11:HE*       1:LYS_11:HG*        1.800  5.800  1.00  1.00 1000.000
1:LYS_11:HE*       1:LYS_11:HD*        1.800  4.900  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HG2*        1.800  3.900  1.00  1.00 1000.000
1:VAL_8:HA         1:VAL_8:HG1*        1.800  3.900  1.00  1.00 1000.000
1:SER_5:HA         1:VAL_8:HB          1.800  3.800  1.00  1.00 1000.000
1:GLN_14:HA        1:GLN_14:HG*        1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HA        1:GLN_14:HG*        1.800  6.000  1.00  1.00 1000.000
1:GLN_14:HA        1:GLN_14:HB*        1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HA        1:GLN_14:HB*        1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HB*        1.800  2.900  1.00  1.00 1000.000
1:GLU_15:HA        1:LYS_18:HB*        1.800  4.800  1.00  1.00 1000.000
1:LEU_12:HA        1:GLU_15:HB*        1.800  3.800  1.00  1.00 1000.000
1:GLN_20:HA        1:GLN_20:HG*        1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HA        1:GLN_20:HB*        1.800  3.900  1.00  1.00 1000.000
1:THR_6:HA         1:LEU_9:HB*         1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HA        1:LEU_19:HB*        1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HA        1:LEU_19:HG         1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HG*        1.800  3.800  1.00  1.00 1000.000
1:LYS_18:HA        1:LYS_18:HD*        1.800  6.000  1.00  1.00 1000.000
1:THR_6:HA         1:THR_6:HG2*        1.800  3.900  1.00  1.00 1000.000
1:GLU_15:HA        1:GLU_15:HB*        1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HA        1:GLU_15:HG*        1.800  4.800  1.00  1.00 1000.000
1:HISD_17:HA       1:GLN_20:HB*        1.800  3.800  1.00  1.00 1000.000
1:THR_6:HB         1:THR_6:HG2*        1.800  3.900  1.00  1.00 1000.000
1:LYS_11:HA        1:LYS_11:HG*        1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HA        1:LYS_11:HB*        1.800  4.800  1.00  1.00 1000.000
1:THR_21:HB        1:THR_21:HG2*       1.800  2.900  1.00  1.00 1000.000
1:THR_21:HA        1:THR_21:HG2*       1.800  3.900  1.00  1.00 1000.000
1:HISD_17:HB*      1:HISD_17:HN        1.800  4.800  1.00  1.00 1000.000
1:HISD_17:HB*      1:LYS_18:HN         1.800  4.800  1.00  1.00 1000.000
1:HISD_17:HB*      1:HISD_17:HD2       1.800  4.800  1.00  1.00 1000.000
1:CYS_7:HB*        1:VAL_8:HN          1.800  4.800  1.00  1.00 1000.000
1:ASN_3:HB*        1:SER_5:HN          1.800  4.800  1.00  1.00 1000.000
1:ASN_3:HB*        1:ASN_3:HD22        1.800  4.800  1.00  1.00 1000.000
1:ASN_3:HB*        1:ASN_3:HD21        1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HE*       1:LYS_11:HZ*        1.800  4.800  1.00  1.00 1000.000
1:LYS_18:HE*       1:LYS_18:HZ*        1.800  6.000  1.00  1.00 1000.000
1:TYR_22:HB*       1:TYR_22:HN         1.800  4.800  1.00  1.00 1000.000
1:TYR_22:HB*       1:TYR_22:HD*        1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HG*       1:LEU_16:HN         1.800  6.000  1.00  1.00 1000.000
1:VAL_8:HB         1:VAL_8:HN          1.800  2.900  1.00  1.00 1000.000
1:GLN_20:HG*       1:GLN_20:HE22       1.800  4.800  1.00  1.00 1000.000
1:GLN_14:HG*       1:GLN_14:HE22       1.800  4.800  1.00  1.00 1000.000
1:GLN_14:HG*       1:GLN_14:HN         1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HG*       1:GLN_20:HN         1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HG*       1:GLU_15:HN         1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HB*       1:THR_21:HN         1.800  4.800  1.00  1.00 1000.000
1:LYS_11:HD*       1:LYS_11:HZ*        1.800  5.800  1.00  1.00 1000.000
1:LYS_11:HB*       1:LYS_11:HN         1.800  4.800  1.00  1.00 1000.000
1:THR_21:HG2*      1:THR_21:HN         1.800  4.800  1.00  1.00 1000.000
1:THR_21:HG2*      1:TYR_22:HN         1.800  6.000  1.00  1.00 1000.000
1:GLN_14:HB*       1:GLN_14:HN         1.800  4.800  1.00  1.00 1000.000
1:GLN_20:HB*       1:GLN_20:HN         1.800  3.900  1.00  1.00 1000.000
1:GLN_14:HB*       1:GLU_15:HN         1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HB*       1:GLU_15:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_16:HB*       1:LEU_16:HN         1.800  3.900  1.00  1.00 1000.000
1:LEU_16:HG        1:LEU_16:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_16:HB*       1:HISD_17:HN        1.800  4.800  1.00  1.00 1000.000
1:THR_6:HG2*       1:THR_6:HN          1.800  4.800  1.00  1.00 1000.000
1:GLU_15:HB*       1:LEU_16:HN         1.800  4.800  1.00  1.00 1000.000
1:VAL_8:HB         1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:THR_6:HG2*       1:CYS_7:HN          1.800  6.000  1.00  1.00 1000.000
1:LEU_4:HB*        1:LEU_4:HN          1.800  3.900  1.00  1.00 1000.000
1:LEU_4:HG         1:LEU_4:HN          1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HG        1:SER_13:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HB*       1:SER_13:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_12:HG        1:LEU_12:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_12:HB*       1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_9:HB*        1:LEU_9:HN          1.800  3.900  1.00  1.00 1000.000
1:LEU_9:HG         1:LEU_9:HN          1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HB*       1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_9:HB*        1:GLY_10:HN         1.800  4.800  1.00  1.00 1000.000
1:LYS_18:HG*       1:LYS_18:HN         1.800  4.800  1.00  1.00 1000.000
1:LYS_18:HB*       1:LYS_18:HN         1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HB*       1:LEU_19:HN         1.800  3.900  1.00  1.00 1000.000
1:LEU_19:HB*       1:GLN_20:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_19:HG        1:LEU_19:HN         1.800  2.900  1.00  1.00 1000.000
1:LEU_19:HG        1:GLN_20:HN         1.800  3.800  1.00  1.00 1000.000
1:LEU_12:HD1*      1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:LEU_12:HD2*      1:LEU_12:HN         1.800  4.800  1.00  1.00 1000.000
1:ASN_3:HB*        1:LEU_4:HN          1.800  4.800  1.00  1.00 1000.000
1:CYS_7:HB*        1:CYS_7:HN          1.800  4.800  1.00  1.00 1000.000
1:VAL_8:HA         1:GLY_10:HN         1.800  5.000  1.00  1.00 1000.000
1:GLU_15:HA        1:LYS_18:HN         1.800  3.800  1.00  1.00 1000.000
1:LYS_11:HA        1:LYS_11:HE*        1.800  5.000  1.00  1.00 1000.000
1:TYR_22:HA        1:TYR_22:HD*        1.800  4.800  1.00  1.00 1000.000
1:LEU_16:HA        1:HISD_17:HN        1.800  3.800  1.00  1.00 1000.000
!
#mixing_times
-9.990000E+02 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          2H        CYS   1  14.435  -3.317   5.079
    2   2H    CYS   1          3H        CYS   1  14.886  -1.991   4.208
    3   3H    CYS   1          1H        CYS   1  13.467  -2.760   3.864
    4    HA   CYS   1           HA       CYS   1  14.586  -4.701   3.192
    5   1HB   CYS   1          1HB       CYS   1  14.030  -3.088   1.494
    6   2HB   CYS   1          2HB       CYS   1  15.477  -2.143   1.834
    7    H    SER   2           H        SER   2  16.183  -6.001   3.753
    8    HA   SER   2           HA       SER   2  18.757  -4.907   4.780
    9   1HB   SER   2          1HB       SER   2  17.393  -7.598   5.217
   10   2HB   SER   2          2HB       SER   2  18.952  -7.087   5.897
   11    HG   SER   2           HG       SER   2  16.443  -5.836   6.321
   12    H    ASN   3           H        ASN   3  17.495  -7.759   2.974
   13    HA   ASN   3           HA       ASN   3  19.768  -7.612   1.067
   14   1HB   ASN   3          1HB       ASN   3  19.020 -10.064   2.723
   15   2HB   ASN   3          2HB       ASN   3  20.123 -10.051   1.339
   16   1HD2  ASN   3          1HD2      ASN   3  21.387  -8.759   5.027
   17   2HD2  ASN   3          2HD2      ASN   3  19.719  -9.198   4.733
   18    H    LEU   4           H        LEU   4  16.942  -9.667   1.957
   19    HA   LEU   4           HA       LEU   4  15.611  -9.054  -0.539
   20   1HB   LEU   4          1HB       LEU   4  15.550 -11.181  -1.514
   21   2HB   LEU   4          2HB       LEU   4  17.241 -10.751  -1.298
   22    HG   LEU   4           HG       LEU   4  15.665 -12.715   0.442
   23   1HD1  LEU   4          1HD1      LEU   4  16.013 -13.499  -1.864
   24   2HD1  LEU   4          2HD1      LEU   4  17.755 -13.184  -1.716
   25   3HD1  LEU   4          3HD1      LEU   4  16.983 -14.429  -0.711
   26   1HD2  LEU   4          2HD2      LEU   4  18.631 -11.982   0.419
   27   2HD2  LEU   4          3HD2      LEU   4  17.501 -11.799   1.782
   28   3HD2  LEU   4          1HD2      LEU   4  17.954 -13.408   1.231
   29    H    SER   5           H        SER   5  15.710 -11.004   2.435
   30    HA   SER   5           HA       SER   5  12.994 -11.842   2.378
   31   1HB   SER   5          1HB       SER   5  13.366 -12.321   4.794
   32   2HB   SER   5          2HB       SER   5  14.623 -12.986   3.735
   33    HG   SER   5           HG       SER   5  15.929 -11.200   4.286
   34    H    THR   6           H        THR   6  14.505  -9.337   4.465
   35    HA   THR   6           HA       THR   6  12.136  -8.123   5.357
   36    HB   THR   6           HB       THR   6  14.897  -6.905   4.992
   37    HG1  THR   6           HG1      THR   6  13.768  -8.365   7.137
   38   1HG2  THR   6          3HG2      THR   6  12.626  -6.208   6.909
   39   2HG2  THR   6          1HG2      THR   6  14.268  -5.534   6.975
   40   3HG2  THR   6          2HG2      THR   6  13.229  -5.184   5.587
   41    H    CYS   7           H        CYS   7  13.957  -7.659   2.343
   42    HA   CYS   7           HA       CYS   7  12.823  -5.149   1.587
   43   1HB   CYS   7          1HB       CYS   7  13.939  -7.345  -0.178
   44   2HB   CYS   7          2HB       CYS   7  13.753  -5.645  -0.606
   45    H    VAL   8           H        VAL   8  12.028  -8.532   0.616
   46    HA   VAL   8           HA       VAL   8   9.777  -7.821  -0.994
   47    HB   VAL   8           HB       VAL   8  10.701 -10.421   0.275
   48   1HG1  VAL   8          3HG2      VAL   8   8.352  -9.953  -1.614
   49   2HG1  VAL   8          1HG2      VAL   8   9.082 -11.537  -1.281
   50   3HG1  VAL   8          2HG2      VAL   8   8.285 -10.651   0.021
   51   1HG2  VAL   8          3HG1      VAL   8  12.076  -9.419  -1.603
   52   2HG2  VAL   8          1HG1      VAL   8  11.337 -10.971  -2.027
   53   3HG2  VAL   8          2HG1      VAL   8  10.631  -9.456  -2.625
   54    H    LEU   9           H        LEU   9  10.031  -9.000   2.410
   55    HA   LEU   9           HA       LEU   9   7.258  -9.016   2.982
   56   1HB   LEU   9          1HB       LEU   9   9.689  -8.508   4.733
   57   2HB   LEU   9          2HB       LEU   9   8.060  -8.717   5.380
   58    HG   LEU   9           HG       LEU   9   9.425 -10.838   3.662
   59   1HD1  LEU   9          3HD1      LEU   9  10.751 -10.423   5.710
   60   2HD1  LEU   9          1HD1      LEU   9   9.288 -10.618   6.698
   61   3HD1  LEU   9          2HD1      LEU   9   9.933 -11.994   5.776
   62   1HD2  LEU   9          3HD2      LEU   9   7.015 -10.929   5.531
   63   2HD2  LEU   9          1HD2      LEU   9   6.976 -11.078   3.760
   64   3HD2  LEU   9          2HD2      LEU   9   7.752 -12.331   4.731
   65    H    GLY  10           H        GLY  10   9.672  -6.383   3.254
   66   1HA   GLY  10          1HA       GLY  10   8.007  -4.391   4.375
   67   2HA   GLY  10          2HA       GLY  10   9.467  -4.132   3.407
   68    H    LYS  11           H        LYS  11   8.725  -5.237   0.949
   69    HA   LYS  11           HA       LYS  11   7.314  -3.118  -0.278
   70   1HB   LYS  11          1HB       LYS  11   8.999  -4.500  -1.394
   71   2HB   LYS  11          2HB       LYS  11   7.941  -5.917  -1.280
   72   1HG   LYS  11          1HG       LYS  11   6.290  -4.842  -2.762
   73   2HG   LYS  11          2HG       LYS  11   7.241  -3.347  -2.757
   74   1HD   LYS  11          1HD       LYS  11   7.620  -4.541  -4.822
   75   2HD   LYS  11          2HD       LYS  11   9.116  -4.531  -3.874
   76   1HE   LYS  11          1HE       LYS  11   8.718  -6.863  -3.175
   77   2HE   LYS  11          2HE       LYS  11   7.137  -6.857  -3.985
   78   1HZ   LYS  11          2HZ       LYS  11   8.283  -6.545  -6.049
   79   2HZ   LYS  11          3HZ       LYS  11   9.745  -6.542  -5.287
   80   3HZ   LYS  11          1HZ       LYS  11   8.819  -7.906  -5.288
   81    H    LEU  12           H        LEU  12   6.290  -6.497   0.444
   82    HA   LEU  12           HA       LEU  12   3.642  -6.275  -0.567
   83   1HB   LEU  12          1HB       LEU  12   4.864  -8.063   1.569
   84   2HB   LEU  12          2HB       LEU  12   3.246  -8.302   0.899
   85    HG   LEU  12           HG       LEU  12   5.763  -8.291  -0.820
   86   1HD1  LEU  12          2HD1      LEU  12   5.892 -10.098   0.856
   87   2HD1  LEU  12          3HD1      LEU  12   4.271 -10.656   0.388
   88   3HD1  LEU  12          1HD1      LEU  12   5.618 -10.751  -0.769
   89   1HD2  LEU  12          2HD2      LEU  12   2.925  -9.284  -1.334
   90   2HD2  LEU  12          3HD2      LEU  12   3.703  -7.885  -2.106
   91   3HD2  LEU  12          1HD2      LEU  12   4.308  -9.514  -2.423
   92    H    SER  13           H        SER  13   4.986  -5.753   2.709
   93    HA   SER  13           HA       SER  13   2.535  -5.262   4.045
   94   1HB   SER  13          1HB       SER  13   4.647  -5.732   5.201
   95   2HB   SER  13          2HB       SER  13   5.323  -4.187   4.642
   96    HG   SER  13           HG       SER  13   3.623  -3.153   5.782
   97    H    GLN  14           H        GLN  14   4.779  -3.044   2.320
   98    HA   GLN  14           HA       GLN  14   3.357  -0.655   2.943
   99   1HB   GLN  14          1HB       GLN  14   5.707  -0.664   2.291
  100   2HB   GLN  14          2HB       GLN  14   5.304  -1.312   0.697
  101   1HG   GLN  14          1HG       GLN  14   5.749   1.125   0.652
  102   2HG   GLN  14          2HG       GLN  14   4.127   0.727   0.086
  103   1HE2  GLN  14          1HE2      GLN  14   4.577   2.585   3.796
  104   2HE2  GLN  14          2HE2      GLN  14   5.827   1.519   3.191
  105    H    GLU  15           H        GLU  15   3.169  -2.972   0.212
  106    HA   GLU  15           HA       GLU  15   1.384  -1.483  -1.414
  107   1HB   GLU  15          1HB       GLU  15   2.800  -3.506  -2.007
  108   2HB   GLU  15          2HB       GLU  15   1.583  -4.521  -1.232
  109   1HG   GLU  15          1HG       GLU  15   1.165  -2.612  -3.583
  110   2HG   GLU  15          2HG       GLU  15   1.343  -4.365  -3.698
  111    H    LEU  16           H        LEU  16   0.812  -4.023   1.073
  112    HA   LEU  16           HA       LEU  16  -1.991  -4.070   1.005
  113   1HB   LEU  16          1HB       LEU  16  -0.508  -5.717   2.034
  114   2HB   LEU  16          2HB       LEU  16  -0.076  -4.600   3.327
  115    HG   LEU  16           HG       LEU  16  -2.986  -5.286   2.826
  116   1HD1  LEU  16          2HD1      LEU  16  -1.002  -7.015   4.362
  117   2HD1  LEU  16          3HD1      LEU  16  -2.766  -7.235   4.341
  118   3HD1  LEU  16          1HD1      LEU  16  -1.833  -7.454   2.852
  119   1HD2  LEU  16          2HD2      LEU  16  -1.386  -4.696   5.370
  120   2HD2  LEU  16          3HD2      LEU  16  -2.509  -3.574   4.581
  121   3HD2  LEU  16          1HD2      LEU  16  -3.121  -5.056   5.310
  122    H    HIS  17           H        HIS  17   0.255  -2.080   2.993
  123    HA   HIS  17           HA       HIS  17  -1.701  -0.698   4.493
  124   1HB   HIS  17          1HB       HIS  17   0.640  -0.764   5.136
  125   2HB   HIS  17          2HB       HIS  17   1.114   0.084   3.658
  126    HD1  HIS  17           HD1      HIS  17  -1.410   0.817   6.479
  127    HD2  HIS  17           HD2      HIS  17   1.550   2.720   4.201
  128    HE1  HIS  17           HE1      HIS  17  -1.300   3.237   7.247
  129    H    LYS  18           H        LYS  18  -0.205   0.058   1.316
  130    HA   LYS  18           HA       LYS  18  -1.270   2.643   0.974
  131   1HB   LYS  18          1HB       LYS  18   0.535   1.769  -0.351
  132   2HB   LYS  18          2HB       LYS  18  -0.488   0.520  -1.055
  133   1HG   LYS  18          1HG       LYS  18  -1.279   3.418  -1.343
  134   2HG   LYS  18          2HG       LYS  18   0.066   2.829  -2.312
  135   1HD   LYS  18          1HD       LYS  18  -2.553   1.298  -2.386
  136   2HD   LYS  18          2HD       LYS  18  -2.372   2.813  -3.268
  137   1HE   LYS  18          1HE       LYS  18  -1.899   0.958  -4.736
  138   2HE   LYS  18          2HE       LYS  18  -0.435   1.924  -4.495
  139   1HZ   LYS  18          3HZ       LYS  18  -1.064  -0.603  -3.133
  140   2HZ   LYS  18          1HZ       LYS  18  -0.026  -0.421  -4.399
  141   3HZ   LYS  18          2HZ       LYS  18   0.318   0.280  -2.949
  142    H    LEU  19           H        LEU  19  -2.636  -0.582   0.117
  143    HA   LEU  19           HA       LEU  19  -5.078   0.464  -0.996
  144   1HB   LEU  19          1HB       LEU  19  -4.455  -2.254   0.230
  145   2HB   LEU  19          2HB       LEU  19  -5.915  -1.856  -0.679
  146    HG   LEU  19           HG       LEU  19  -3.080  -1.764  -1.793
  147   1HD1  LEU  19          2HD1      LEU  19  -5.292  -3.840  -2.095
  148   2HD1  LEU  19          3HD1      LEU  19  -3.756  -3.847  -2.982
  149   3HD1  LEU  19          1HD1      LEU  19  -3.759  -4.053  -1.221
  150   1HD2  LEU  19          2HD2      LEU  19  -5.790  -1.517  -3.168
  151   2HD2  LEU  19          3HD2      LEU  19  -4.541  -0.252  -3.050
  152   3HD2  LEU  19          1HD2      LEU  19  -4.235  -1.704  -4.004
  153    H    GLN  20           H        GLN  20  -4.567  -1.271   2.073
  154    HA   GLN  20           HA       GLN  20  -5.667  -1.453   3.942
  155   1HB   GLN  20          1HB       GLN  20  -6.099   0.538   5.288
  156   2HB   GLN  20          2HB       GLN  20  -4.476   0.383   4.627
  157   1HG   GLN  20          1HG       GLN  20  -4.968   2.140   2.946
  158   2HG   GLN  20          2HG       GLN  20  -6.612   2.297   3.592
  159   1HE2  GLN  20          1HE2      GLN  20  -3.398   3.720   5.783
  160   2HE2  GLN  20          2HE2      GLN  20  -3.154   2.467   4.585
  161    H    THR  21           H        THR  21  -7.681   1.148   2.506
  162    HA   THR  21           HA       THR  21 -10.122  -0.502   2.993
  163    HB   THR  21           HB       THR  21  -9.782   2.516   2.714
  164    HG1  THR  21           HG1      THR  21 -10.413   0.870   4.932
  165   1HG2  THR  21          3HG2      THR  21 -12.246   0.815   3.320
  166   2HG2  THR  21          1HG2      THR  21 -12.168   2.588   3.395
  167   3HG2  THR  21          2HG2      THR  21 -11.976   1.762   1.840
  168    H    TYR  22           H        TYR  22  -8.532   1.837   0.784
  169    HA   TYR  22           HA       TYR  22  -8.623   2.221  -1.409
  170   1HB   TYR  22          1HB       TYR  22  -7.571  -0.028  -1.316
  171   2HB   TYR  22          2HB       TYR  22  -9.121  -0.753  -1.707
  172    HD1  TYR  22           HD2      TYR  22  -6.429   1.532  -2.906
  173    HD2  TYR  22           HD1      TYR  22  -9.912  -0.754  -4.025
  174    HE1  TYR  22           HE2      TYR  22  -5.912   1.907  -5.298
  175    HE2  TYR  22           HE1      TYR  22  -9.451  -0.284  -6.409
  176    HH   TYR  22           HH       TYR  22  -6.629   1.657  -7.468
  177    HA   PRO  23           HA       PRO  23 -13.237   2.323  -1.893
  178   1HB   PRO  23          1HB       PRO  23 -13.731   4.930  -1.410
  179   2HB   PRO  23          2HB       PRO  23 -13.415   3.798  -0.070
  180   1HG   PRO  23          1HG       PRO  23 -11.415   5.662  -1.384
  181   2HG   PRO  23          2HG       PRO  23 -11.765   5.484   0.358
  182   1HD   PRO  23          2HD       PRO  23  -9.713   4.151  -0.910
  183   2HD   PRO  23          1HD       PRO  23 -10.597   3.459   0.480
  184    H    ARG  24           H        ARG  24 -11.754   1.776  -3.905
  185    HA   ARG  24           HA       ARG  24 -10.952   2.117  -5.979
  186   1HB   ARG  24          1HB       ARG  24 -12.999   4.367  -6.196
  187   2HB   ARG  24          2HB       ARG  24 -12.189   3.527  -7.521
  188   1HG   ARG  24          1HG       ARG  24 -14.177   2.307  -5.551
  189   2HG   ARG  24          2HG       ARG  24 -14.471   2.743  -7.236
  190   1HD   ARG  24          1HD       ARG  24 -12.694   1.066  -7.920
  191   2HD   ARG  24          2HD       ARG  24 -12.585   0.571  -6.225
  192    HE   ARG  24           HE       ARG  24 -14.537  -0.575  -6.368
  193   1HH1  ARG  24          2HH2      ARG  24 -14.307   1.510  -9.251
  194   2HH1  ARG  24          1HH2      ARG  24 -15.675   0.754 -10.033
  195   1HH2  ARG  24          1HH1      ARG  24 -16.313  -1.525  -7.419
  196   2HH2  ARG  24          2HH1      ARG  24 -16.813  -0.960  -8.997
  197    H    THR  25           H        THR  25  -9.146   2.759  -4.536
  198    HA   THR  25           HA       THR  25  -7.252   3.891  -4.242
  199    HB   THR  25           HB       THR  25  -8.235   6.133  -6.047
  200    HG1  THR  25           HG1      THR  25  -7.040   4.983  -7.604
  201   1HG2  THR  25          2HG2      THR  25  -5.461   5.286  -5.125
  202   2HG2  THR  25          3HG2      THR  25  -5.819   6.529  -6.341
  203   3HG2  THR  25          1HG2      THR  25  -6.316   6.775  -4.661
  204    H    ASP  26           H        ASP  26  -6.552   5.058  -2.563
  205    HA   ASP  26           HA       ASP  26  -8.571   6.179  -0.777
  206   1HB   ASP  26          1HB       ASP  26  -5.572   5.786  -0.437
  207   2HB   ASP  26          2HB       ASP  26  -6.736   6.177   0.840
  208    H    VAL  27           H        VAL  27  -8.947   7.908  -2.514
  209    HA   VAL  27           HA       VAL  27  -7.037  10.069  -2.739
  210    HB   VAL  27           HB       VAL  27 -10.004   9.916  -3.430
  211   1HG1  VAL  27          3HG1      VAL  27  -7.861  11.936  -4.236
  212   2HG1  VAL  27          1HG1      VAL  27  -9.506  11.857  -4.901
  213   3HG1  VAL  27          2HG1      VAL  27  -9.265  12.260  -3.197
  214   1HG2  VAL  27          3HG2      VAL  27  -7.506   9.543  -5.145
  215   2HG2  VAL  27          1HG2      VAL  27  -8.679   8.280  -4.715
  216   3HG2  VAL  27          2HG2      VAL  27  -9.173   9.621  -5.753
  217    H    GLY  28           H        GLY  28 -10.221   9.696  -1.086
  218   1HA   GLY  28          2HA       GLY  28 -10.908  10.486   0.963
  219   2HA   GLY  28          1HA       GLY  28  -9.366  11.320   1.201
  220    H    ALA  29           H        ALA  29  -8.998  13.191  -0.425
  221    HA   ALA  29           HA       ALA  29 -11.304  15.013  -0.337
  222   1HB   ALA  29          3HB       ALA  29  -9.098  15.779   0.393
  223   2HB   ALA  29          1HB       ALA  29  -8.414  15.413  -1.204
  224   3HB   ALA  29          2HB       ALA  29  -9.642  16.688  -1.029
  225    H    GLY  30           H        GLY  30 -12.351  13.327  -1.892
  226   1HA   GLY  30          2HA       GLY  30 -11.631  13.389  -4.694
  227   2HA   GLY  30          1HA       GLY  30 -13.141  12.801  -3.978
  228    H    THR  31           H        THR  31 -14.401  14.731  -2.841
  229    HA   THR  31           HA       THR  31 -14.420  17.187  -4.534
  230    HB   THR  31           HB       THR  31 -16.872  15.604  -3.690
  231    HG1  THR  31           HG1      THR  31 -17.027  15.253  -5.928
  232   1HG2  THR  31          3HG2      THR  31 -16.535  18.094  -5.435
  233   2HG2  THR  31          1HG2      THR  31 -18.053  17.215  -5.162
  234   3HG2  THR  31          2HG2      THR  31 -17.276  18.070  -3.822
  235    HA   PRO  32           HA       PRO  32 -14.144  17.846   0.054
  236   1HB   PRO  32          1HB       PRO  32 -12.190  19.754   0.116
  237   2HB   PRO  32          2HB       PRO  32 -11.855  18.009  -0.066
  238   1HG   PRO  32          1HG       PRO  32 -12.019  20.086  -2.259
  239   2HG   PRO  32          2HG       PRO  32 -10.751  18.857  -2.002
  240   1HD   PRO  32          1HD       PRO  32 -12.803  18.486  -3.754
  241   2HD   PRO  32          2HD       PRO  32 -12.141  17.126  -2.799
  242   1HN   NH2  33          1HN       NH2  33 -15.270  21.474  -1.660
  243   2HN   NH2  33          2HN       NH2  33 -14.112  20.450  -2.478
   
  No H/Q in entry =         243
  Start of MODEL    2
    1   1H    CYS   1          3H        CYS   1  17.612  -1.838   3.539
    2   2H    CYS   1          1H        CYS   1  18.209  -1.410   2.063
    3   3H    CYS   1          2H        CYS   1  16.729  -0.865   2.544
    4    HA   CYS   1           HA       CYS   1  15.844  -3.037   2.562
    5   1HB   CYS   1          1HB       CYS   1  15.589  -1.710   0.558
    6   2HB   CYS   1          2HB       CYS   1  17.167  -2.205  -0.040
    7    H    SER   2           H        SER   2  18.782  -3.343   0.541
    8    HA   SER   2           HA       SER   2  20.317  -4.932   0.267
    9   1HB   SER   2          1HB       SER   2  20.094  -5.160   3.299
   10   2HB   SER   2          2HB       SER   2  21.404  -5.822   2.300
   11    HG   SER   2           HG       SER   2  21.874  -3.754   3.141
   12    H    ASN   3           H        ASN   3  19.114  -6.892   2.946
   13    HA   ASN   3           HA       ASN   3  18.916  -9.216   1.290
   14   1HB   ASN   3          1HB       ASN   3  17.944  -8.691   4.130
   15   2HB   ASN   3          2HB       ASN   3  18.094 -10.281   3.367
   16   1HD2  ASN   3          1HD2      ASN   3  21.704 -10.350   3.492
   17   2HD2  ASN   3          2HD2      ASN   3  20.328 -10.887   2.552
   18    H    LEU   4           H        LEU   4  17.276  -9.771   0.001
   19    HA   LEU   4           HA       LEU   4  14.667  -8.437   0.117
   20   1HB   LEU   4          1HB       LEU   4  15.702 -10.622  -1.723
   21   2HB   LEU   4          2HB       LEU   4  14.231  -9.658  -1.937
   22    HG   LEU   4           HG       LEU   4  17.112  -8.645  -2.030
   23   1HD1  LEU   4          1HD1      LEU   4  16.381  -9.940  -4.002
   24   2HD1  LEU   4          2HD1      LEU   4  14.970  -8.874  -4.183
   25   3HD1  LEU   4          3HD1      LEU   4  16.611  -8.227  -4.395
   26   1HD2  LEU   4          1HD2      LEU   4  14.486  -7.116  -2.315
   27   2HD2  LEU   4          2HD2      LEU   4  15.745  -6.862  -1.083
   28   3HD2  LEU   4          3HD2      LEU   4  16.081  -6.483  -2.774
   29    H    SER   5           H        SER   5  14.552  -9.330   2.385
   30    HA   SER   5           HA       SER   5  12.738 -11.652   2.381
   31   1HB   SER   5          1HB       SER   5  14.911 -12.662   2.899
   32   2HB   SER   5          2HB       SER   5  15.218 -11.451   4.157
   33    HG   SER   5           HG       SER   5  13.066 -13.304   4.100
   34    H    THR   6           H        THR   6  14.488  -9.483   4.676
   35    HA   THR   6           HA       THR   6  12.123  -8.719   6.136
   36    HB   THR   6           HB       THR   6  14.859  -7.385   5.891
   37    HG1  THR   6           HG1      THR   6  15.235  -8.529   7.821
   38   1HG2  THR   6          3HG2      THR   6  12.657  -7.091   7.987
   39   2HG2  THR   6          1HG2      THR   6  14.289  -6.401   8.103
   40   3HG2  THR   6          2HG2      THR   6  13.182  -5.835   6.843
   41    H    CYS   7           H        CYS   7  14.088  -7.261   3.503
   42    HA   CYS   7           HA       CYS   7  12.625  -4.859   3.243
   43   1HB   CYS   7          1HB       CYS   7  14.873  -5.198   2.372
   44   2HB   CYS   7          2HB       CYS   7  14.275  -6.383   1.206
   45    H    VAL   8           H        VAL   8  12.331  -7.974   1.400
   46    HA   VAL   8           HA       VAL   8  10.361  -6.936  -0.345
   47    HB   VAL   8           HB       VAL   8  11.891  -8.888  -0.747
   48   1HG1  VAL   8          2HG2      VAL   8  11.344 -10.158   1.331
   49   2HG1  VAL   8          3HG2      VAL   8   9.746 -10.536   0.654
   50   3HG1  VAL   8          1HG2      VAL   8  11.213 -11.115  -0.153
   51   1HG2  VAL   8          3HG1      VAL   8  10.066  -8.264  -2.284
   52   2HG2  VAL   8          1HG1      VAL   8  10.295 -10.020  -2.230
   53   3HG2  VAL   8          2HG1      VAL   8   8.933  -9.279  -1.367
   54    H    LEU   9           H        LEU   9  10.035  -8.833   2.697
   55    HA   LEU   9           HA       LEU   9   7.184  -9.043   2.630
   56   1HB   LEU   9          1HB       LEU   9   9.189  -9.036   4.911
   57   2HB   LEU   9          2HB       LEU   9   7.464  -9.326   5.143
   58    HG   LEU   9           HG       LEU   9   9.211 -11.052   3.335
   59   1HD1  LEU   9          1HD1      LEU   9   9.924 -11.178   5.725
   60   2HD1  LEU   9          2HD1      LEU   9   8.254 -11.554   6.189
   61   3HD1  LEU   9          3HD1      LEU   9   9.175 -12.685   5.174
   62   1HD2  LEU   9          1HD2      LEU   9   6.389 -11.422   4.434
   63   2HD2  LEU   9          2HD2      LEU   9   6.842 -11.216   2.728
   64   3HD2  LEU   9          3HD2      LEU   9   7.328 -12.672   3.595
   65    H    GLY  10           H        GLY  10   9.398  -6.584   4.027
   66   1HA   GLY  10          1HA       GLY  10   7.488  -4.897   5.224
   67   2HA   GLY  10          2HA       GLY  10   9.066  -4.409   4.583
   68    H    LYS  11           H        LYS  11   8.765  -4.967   1.866
   69    HA   LYS  11           HA       LYS  11   7.519  -2.615   0.942
   70   1HB   LYS  11          1HB       LYS  11   9.438  -3.723  -0.090
   71   2HB   LYS  11          2HB       LYS  11   8.432  -5.065  -0.635
   72   1HG   LYS  11          1HG       LYS  11   7.821  -2.185  -1.421
   73   2HG   LYS  11          2HG       LYS  11   9.064  -3.133  -2.246
   74   1HD   LYS  11          1HD       LYS  11   7.390  -4.865  -2.847
   75   2HD   LYS  11          2HD       LYS  11   6.118  -3.901  -2.083
   76   1HE   LYS  11          1HE       LYS  11   6.035  -3.508  -4.436
   77   2HE   LYS  11          2HE       LYS  11   6.582  -2.026  -3.632
   78   1HZ   LYS  11          3HZ       LYS  11   8.305  -3.994  -4.973
   79   2HZ   LYS  11          1HZ       LYS  11   7.843  -2.537  -5.594
   80   3HZ   LYS  11          2HZ       LYS  11   8.814  -2.594  -4.264
   81    H    LEU  12           H        LEU  12   6.529  -6.069   0.387
   82    HA   LEU  12           HA       LEU  12   4.132  -5.310  -0.922
   83   1HB   LEU  12          1HB       LEU  12   3.538  -7.612  -0.958
   84   2HB   LEU  12          2HB       LEU  12   5.245  -7.389  -1.315
   85    HG   LEU  12           HG       LEU  12   5.531  -7.930   1.288
   86   1HD1  LEU  12          2HD2      LEU  12   3.067  -8.155   1.772
   87   2HD1  LEU  12          3HD2      LEU  12   2.974  -9.438   0.556
   88   3HD1  LEU  12          1HD2      LEU  12   3.941  -9.668   2.025
   89   1HD2  LEU  12          2HD1      LEU  12   4.966 -10.025  -0.850
   90   2HD2  LEU  12          3HD1      LEU  12   6.518  -9.208  -0.576
   91   3HD2  LEU  12          1HD1      LEU  12   5.866 -10.298   0.656
   92    H    SER  13           H        SER  13   4.805  -5.934   2.526
   93    HA   SER  13           HA       SER  13   2.101  -6.021   3.410
   94   1HB   SER  13          1HB       SER  13   3.973  -6.747   4.803
   95   2HB   SER  13          2HB       SER  13   4.617  -5.090   4.859
   96    HG   SER  13           HG       SER  13   2.661  -4.476   5.877
   97    H    GLN  14           H        GLN  14   4.447  -3.289   3.164
   98    HA   GLN  14           HA       GLN  14   2.655  -1.284   4.049
   99   1HB   GLN  14          1HB       GLN  14   5.097  -1.049   4.059
  100   2HB   GLN  14          2HB       GLN  14   5.132  -1.094   2.290
  101   1HG   GLN  14          1HG       GLN  14   5.356   1.187   3.118
  102   2HG   GLN  14          2HG       GLN  14   3.871   1.029   2.186
  103   1HE2  GLN  14          1HE2      GLN  14   1.715   1.805   4.924
  104   2HE2  GLN  14          2HE2      GLN  14   1.828   1.199   3.285
  105    H    GLU  15           H        GLU  15   3.353  -2.604   0.795
  106    HA   GLU  15           HA       GLU  15   1.974  -0.646  -0.721
  107   1HB   GLU  15          1HB       GLU  15   3.617  -2.224  -1.627
  108   2HB   GLU  15          2HB       GLU  15   2.519  -3.581  -1.319
  109   1HG   GLU  15          1HG       GLU  15   0.893  -2.665  -2.916
  110   2HG   GLU  15          2HG       GLU  15   1.895  -1.220  -3.144
  111    H    LEU  16           H        LEU  16   0.913  -3.888   0.449
  112    HA   LEU  16           HA       LEU  16  -1.767  -3.741  -0.447
  113   1HB   LEU  16          1HB       LEU  16  -0.443  -5.247   1.832
  114   2HB   LEU  16          2HB       LEU  16  -2.128  -5.501   1.368
  115    HG   LEU  16           HG       LEU  16   0.165  -5.847  -0.613
  116   1HD1  LEU  16          3HD1      LEU  16   0.483  -7.385   1.303
  117   2HD1  LEU  16          1HD1      LEU  16  -1.189  -7.955   1.123
  118   3HD1  LEU  16          2HD1      LEU  16   0.002  -8.261  -0.160
  119   1HD2  LEU  16          2HD2      LEU  16  -2.724  -6.828  -0.595
  120   2HD2  LEU  16          3HD2      LEU  16  -2.053  -5.577  -1.662
  121   3HD2  LEU  16          1HD2      LEU  16  -1.498  -7.247  -1.807
  122    H    HIS  17           H        HIS  17  -0.316  -2.852   2.717
  123    HA   HIS  17           HA       HIS  17  -2.645  -2.062   4.070
  124   1HB   HIS  17          1HB       HIS  17  -0.512  -2.350   5.176
  125   2HB   HIS  17          2HB       HIS  17   0.227  -1.082   4.198
  126    HD1  HIS  17           HD1      HIS  17  -3.160  -0.344   5.655
  127    HD2  HIS  17           HD2      HIS  17   0.876   0.330   6.559
  128    HE1  HIS  17           HE1      HIS  17  -3.070   1.460   7.449
  129    H    LYS  18           H        LYS  18  -0.401  -0.078   2.089
  130    HA   LYS  18           HA       LYS  18  -1.646   2.399   2.390
  131   1HB   LYS  18          1HB       LYS  18   0.608   2.118   1.556
  132   2HB   LYS  18          2HB       LYS  18   0.015   1.271   0.115
  133   1HG   LYS  18          1HG       LYS  18  -1.090   3.326  -0.672
  134   2HG   LYS  18          2HG       LYS  18  -0.672   4.151   0.835
  135   1HD   LYS  18          1HD       LYS  18   0.818   4.794  -1.018
  136   2HD   LYS  18          2HD       LYS  18   1.699   4.048   0.321
  137   1HE   LYS  18          1HE       LYS  18   2.500   3.305  -1.910
  138   2HE   LYS  18          2HE       LYS  18   1.939   1.958  -0.917
  139   1HZ   LYS  18          3HZ       LYS  18   0.400   3.277  -3.043
  140   2HZ   LYS  18          1HZ       LYS  18   1.158   1.817  -3.161
  141   3HZ   LYS  18          2HZ       LYS  18  -0.117   2.002  -2.133
  142    H    LEU  19           H        LEU  19  -2.021   0.088  -0.398
  143    HA   LEU  19           HA       LEU  19  -4.025   1.734  -1.616
  144   1HB   LEU  19          1HB       LEU  19  -4.264   0.031  -3.259
  145   2HB   LEU  19          2HB       LEU  19  -2.566   0.268  -2.865
  146    HG   LEU  19           HG       LEU  19  -2.977  -1.801  -1.232
  147   1HD1  LEU  19          2HD1      LEU  19  -5.060  -2.259  -3.422
  148   2HD1  LEU  19          3HD1      LEU  19  -4.505  -3.465  -2.245
  149   3HD1  LEU  19          1HD1      LEU  19  -5.428  -2.064  -1.701
  150   1HD2  LEU  19          3HD2      LEU  19  -1.377  -1.716  -3.113
  151   2HD2  LEU  19          1HD2      LEU  19  -2.203  -3.281  -3.044
  152   3HD2  LEU  19          2HD2      LEU  19  -2.692  -2.071  -4.251
  153    H    GLN  20           H        GLN  20  -4.261  -0.846   0.811
  154    HA   GLN  20           HA       GLN  20  -7.027  -1.363   0.510
  155   1HB   GLN  20          1HB       GLN  20  -5.520  -2.770   1.805
  156   2HB   GLN  20          2HB       GLN  20  -5.316  -1.486   3.013
  157   1HG   GLN  20          1HG       GLN  20  -7.783  -1.614   3.471
  158   2HG   GLN  20          2HG       GLN  20  -7.920  -2.891   2.254
  159   1HE2  GLN  20          1HE2      GLN  20  -7.822  -4.821   5.320
  160   2HE2  GLN  20          2HE2      GLN  20  -8.915  -3.903   4.308
  161    H    THR  21           H        THR  21  -5.292   1.229   2.302
  162    HA   THR  21           HA       THR  21  -7.873   2.607   2.805
  163    HB   THR  21           HB       THR  21  -6.382   2.777   4.607
  164    HG1  THR  21           HG1      THR  21  -7.658   4.552   4.019
  165   1HG2  THR  21          2HG2      THR  21  -4.162   2.516   3.543
  166   2HG2  THR  21          3HG2      THR  21  -4.299   4.150   2.861
  167   3HG2  THR  21          1HG2      THR  21  -4.264   3.916   4.610
  168    H    TYR  22           H        TYR  22  -8.258   2.362   0.445
  169    HA   TYR  22           HA       TYR  22  -6.933   3.671  -1.572
  170   1HB   TYR  22          1HB       TYR  22  -9.926   3.359  -1.151
  171   2HB   TYR  22          2HB       TYR  22  -9.192   3.822  -2.674
  172    HD1  TYR  22           HD1      TYR  22  -7.806   2.215  -3.974
  173    HD2  TYR  22           HD2      TYR  22  -9.875   1.030  -0.381
  174    HE1  TYR  22           HE1      TYR  22  -7.409  -0.168  -4.526
  175    HE2  TYR  22           HE2      TYR  22  -9.476  -1.346  -0.933
  176    HH   TYR  22           HH       TYR  22  -8.510  -2.834  -2.397
  177    HA   PRO  23           HA       PRO  23  -7.256   7.937  -0.532
  178   1HB   PRO  23          1HB       PRO  23  -6.951   9.193  -2.944
  179   2HB   PRO  23          2HB       PRO  23  -5.654   8.256  -2.150
  180   1HG   PRO  23          1HG       PRO  23  -7.546   7.301  -4.312
  181   2HG   PRO  23          2HG       PRO  23  -5.765   7.149  -4.268
  182   1HD   PRO  23          2HD       PRO  23  -7.396   5.118  -3.486
  183   2HD   PRO  23          1HD       PRO  23  -5.876   5.441  -2.603
  184    H    ARG  24           H        ARG  24  -9.467   6.804  -3.109
  185    HA   ARG  24           HA       ARG  24 -11.507   8.829  -2.278
  186   1HB   ARG  24          1HB       ARG  24 -10.798   7.917  -5.098
  187   2HB   ARG  24          2HB       ARG  24 -12.109   9.025  -4.656
  188   1HG   ARG  24          1HG       ARG  24 -10.428  10.599  -3.689
  189   2HG   ARG  24          2HG       ARG  24  -9.130   9.539  -4.277
  190   1HD   ARG  24          1HD       ARG  24  -9.963   9.781  -6.590
  191   2HD   ARG  24          2HD       ARG  24 -11.233  10.879  -6.034
  192    HE   ARG  24           HE       ARG  24  -8.408  11.440  -6.449
  193   1HH1  ARG  24          2HH2      ARG  24 -11.281  12.518  -4.634
  194   2HH1  ARG  24          1HH2      ARG  24 -10.661  14.136  -4.412
  195   1HH2  ARG  24          1HH1      ARG  24  -7.639  13.555  -6.133
  196   2HH2  ARG  24          2HH1      ARG  24  -8.601  14.724  -5.257
  197    H    THR  25           H        THR  25 -13.642   8.242  -3.274
  198    HA   THR  25           HA       THR  25 -15.487   7.005  -3.138
  199    HB   THR  25           HB       THR  25 -15.561   5.064  -4.650
  200    HG1  THR  25           HG1      THR  25 -13.659   4.516  -5.763
  201   1HG2  THR  25          1HG2      THR  25 -15.727   7.378  -5.527
  202   2HG2  THR  25          2HG2      THR  25 -13.965   7.408  -5.770
  203   3HG2  THR  25          3HG2      THR  25 -14.969   6.269  -6.685
  204    H    ASP  26           H        ASP  26 -14.007   3.872  -3.223
  205    HA   ASP  26           HA       ASP  26 -15.204   3.204  -0.626
  206   1HB   ASP  26          1HB       ASP  26 -13.752   1.525  -2.711
  207   2HB   ASP  26          2HB       ASP  26 -14.582   0.907  -1.273
  208    H    VAL  27           H        VAL  27 -13.711   4.732   0.477
  209    HA   VAL  27           HA       VAL  27 -10.927   4.495   0.561
  210    HB   VAL  27           HB       VAL  27 -12.904   5.470   2.651
  211   1HG1  VAL  27          1HG1      VAL  27  -9.873   5.810   2.553
  212   2HG1  VAL  27          2HG1      VAL  27 -10.969   6.709   3.618
  213   3HG1  VAL  27          3HG1      VAL  27 -10.799   4.963   3.808
  214   1HG2  VAL  27          3HG2      VAL  27 -11.171   6.937   0.605
  215   2HG2  VAL  27          1HG2      VAL  27 -12.931   6.734   0.514
  216   3HG2  VAL  27          2HG2      VAL  27 -12.224   7.701   1.812
  217    H    GLY  28           H        GLY  28 -13.305   3.104   2.894
  218   1HA   GLY  28          2HA       GLY  28 -13.256   1.142   4.071
  219   2HA   GLY  28          1HA       GLY  28 -11.842   0.628   3.139
  220    H    ALA  29           H        ALA  29 -10.397   0.010   4.700
  221    HA   ALA  29           HA       ALA  29  -9.276   2.019   6.511
  222   1HB   ALA  29          1HB       ALA  29 -10.600  -0.518   7.572
  223   2HB   ALA  29          2HB       ALA  29  -9.580   0.590   8.515
  224   3HB   ALA  29          3HB       ALA  29 -11.135   1.149   7.870
  225    H    GLY  30           H        GLY  30  -7.136   1.764   6.381
  226   1HA   GLY  30          2HA       GLY  30  -5.942  -0.444   4.971
  227   2HA   GLY  30          1HA       GLY  30  -5.123   0.930   5.719
  228    H    THR  31           H        THR  31  -5.670  -2.387   5.939
  229    HA   THR  31           HA       THR  31  -5.159  -4.019   7.389
  230    HB   THR  31           HB       THR  31  -3.166  -2.020   8.511
  231    HG1  THR  31           HG1      THR  31  -1.853  -2.906   6.896
  232   1HG2  THR  31          3HG2      THR  31  -3.166  -5.074   8.374
  233   2HG2  THR  31          1HG2      THR  31  -1.827  -4.057   8.942
  234   3HG2  THR  31          2HG2      THR  31  -3.338  -4.117   9.860
  235    HA   PRO  32           HA       PRO  32  -7.829  -2.147  10.698
  236   1HB   PRO  32          1HB       PRO  32 -10.045  -3.701  10.469
  237   2HB   PRO  32          2HB       PRO  32  -9.677  -2.399   9.300
  238   1HG   PRO  32          1HG       PRO  32  -9.053  -5.353   9.014
  239   2HG   PRO  32          2HG       PRO  32  -9.898  -4.299   7.841
  240   1HD   PRO  32          1HD       PRO  32  -7.232  -4.824   7.659
  241   2HD   PRO  32          2HD       PRO  32  -7.884  -3.211   7.246
  242   1HN   NH2  33          1HN       NH2  33  -7.886  -4.553  13.364
  243   2HN   NH2  33          2HN       NH2  33  -8.590  -3.064  12.771
   
  No H/Q in entry =         243
  Start of MODEL    3
    1   1H    CYS   1          3H        CYS   1  19.551  -2.068   0.744
    2   2H    CYS   1          1H        CYS   1  18.484  -2.316  -0.488
    3   3H    CYS   1          2H        CYS   1  18.008  -1.499   0.863
    4    HA   CYS   1           HA       CYS   1  18.267  -3.420   2.214
    5   1HB   CYS   1          1HB       CYS   1  16.499  -3.763  -0.221
    6   2HB   CYS   1          2HB       CYS   1  16.481  -4.828   1.193
    7    H    SER   2           H        SER   2  20.136  -4.563   2.384
    8    HA   SER   2           HA       SER   2  21.238  -6.228   0.292
    9   1HB   SER   2          1HB       SER   2  22.618  -5.324   2.112
   10   2HB   SER   2          2HB       SER   2  21.668  -6.223   3.313
   11    HG   SER   2           HG       SER   2  23.579  -7.315   2.692
   12    H    ASN   3           H        ASN   3  19.407  -6.872   3.331
   13    HA   ASN   3           HA       ASN   3  18.792  -9.624   2.587
   14   1HB   ASN   3          1HB       ASN   3  19.153  -9.026   4.922
   15   2HB   ASN   3          2HB       ASN   3  17.843  -7.840   4.861
   16   1HD2  ASN   3          1HD2      ASN   3  16.950 -11.910   4.867
   17   2HD2  ASN   3          2HD2      ASN   3  18.503 -11.349   4.286
   18    H    LEU   4           H        LEU   4  17.660  -9.520   0.648
   19    HA   LEU   4           HA       LEU   4  15.185  -7.944   0.417
   20   1HB   LEU   4          1HB       LEU   4  16.554  -9.947  -1.416
   21   2HB   LEU   4          2HB       LEU   4  15.097  -9.036  -1.838
   22    HG   LEU   4           HG       LEU   4  17.774  -7.742  -1.150
   23   1HD1  LEU   4          1HD1      LEU   4  17.934  -9.095  -3.201
   24   2HD1  LEU   4          2HD1      LEU   4  16.495  -8.285  -3.859
   25   3HD1  LEU   4          3HD1      LEU   4  17.987  -7.363  -3.572
   26   1HD2  LEU   4          2HD2      LEU   4  15.200  -6.628  -2.366
   27   2HD2  LEU   4          3HD2      LEU   4  15.873  -6.213  -0.776
   28   3HD2  LEU   4          1HD2      LEU   4  16.735  -5.747  -2.244
   29    H    SER   5           H        SER   5  14.581  -9.135   2.514
   30    HA   SER   5           HA       SER   5  12.666 -11.258   1.800
   31   1HB   SER   5          1HB       SER   5  14.750 -11.617   4.006
   32   2HB   SER   5          2HB       SER   5  13.360 -12.673   3.698
   33    HG   SER   5           HG       SER   5  14.251 -13.018   1.593
   34    H    THR   6           H        THR   6  14.103  -9.596   4.666
   35    HA   THR   6           HA       THR   6  11.564  -9.140   5.948
   36    HB   THR   6           HB       THR   6  14.282  -7.827   6.378
   37    HG1  THR   6           HG1      THR   6  14.432  -9.406   8.006
   38   1HG2  THR   6          3HG2      THR   6  11.820  -8.014   8.175
   39   2HG2  THR   6          1HG2      THR   6  13.411  -7.398   8.667
   40   3HG2  THR   6          2HG2      THR   6  12.471  -6.529   7.444
   41    H    CYS   7           H        CYS   7  13.799  -7.178   3.942
   42    HA   CYS   7           HA       CYS   7  12.307  -4.754   3.963
   43   1HB   CYS   7          1HB       CYS   7  14.641  -4.855   3.367
   44   2HB   CYS   7          2HB       CYS   7  14.306  -5.916   1.996
   45    H    VAL   8           H        VAL   8  12.300  -7.578   1.733
   46    HA   VAL   8           HA       VAL   8  10.440  -6.531  -0.149
   47    HB   VAL   8           HB       VAL   8  11.262  -9.359   0.607
   48   1HG1  VAL   8          3HG1      VAL   8   9.478  -8.435  -1.686
   49   2HG1  VAL   8          1HG1      VAL   8  10.249 -10.032  -1.585
   50   3HG1  VAL   8          2HG1      VAL   8   9.045  -9.566  -0.381
   51   1HG2  VAL   8          3HG2      VAL   8  12.994  -7.881  -0.437
   52   2HG2  VAL   8          1HG2      VAL   8  12.533  -9.226  -1.495
   53   3HG2  VAL   8          2HG2      VAL   8  11.903  -7.595  -1.804
   54    H    LEU   9           H        LEU   9   9.969  -8.633   2.742
   55    HA   LEU   9           HA       LEU   9   7.185  -8.934   2.544
   56   1HB   LEU   9          1HB       LEU   9   8.578 -10.317   3.967
   57   2HB   LEU   9          2HB       LEU   9   9.069  -8.915   4.927
   58    HG   LEU   9           HG       LEU   9   6.763  -8.641   5.754
   59   1HD1  LEU   9          2HD1      LEU   9   6.185 -11.170   4.140
   60   2HD1  LEU   9          3HD1      LEU   9   5.106 -10.477   5.368
   61   3HD1  LEU   9          1HD1      LEU   9   5.448  -9.571   3.892
   62   1HD2  LEU   9          2HD2      LEU   9   8.387 -10.021   6.992
   63   2HD2  LEU   9          3HD2      LEU   9   6.736 -10.637   7.189
   64   3HD2  LEU   9          1HD2      LEU   9   7.864 -11.460   6.089
   65    H    GLY  10           H        GLY  10   9.161  -6.455   4.244
   66   1HA   GLY  10          1HA       GLY  10   7.050  -4.993   5.424
   67   2HA   GLY  10          2HA       GLY  10   8.670  -4.382   5.038
   68    H    LYS  11           H        LYS  11   8.650  -4.678   2.223
   69    HA   LYS  11           HA       LYS  11   7.392  -2.269   1.456
   70   1HB   LYS  11          1HB       LYS  11   9.442  -3.082   0.425
   71   2HB   LYS  11          2HB       LYS  11   8.623  -4.517  -0.182
   72   1HG   LYS  11          1HG       LYS  11   8.970  -2.861  -1.949
   73   2HG   LYS  11          2HG       LYS  11   7.269  -3.220  -1.701
   74   1HD   LYS  11          1HD       LYS  11   7.643  -0.828  -2.095
   75   2HD   LYS  11          2HD       LYS  11   6.928  -1.105  -0.510
   76   1HE   LYS  11          1HE       LYS  11   8.677   0.615  -0.423
   77   2HE   LYS  11          2HE       LYS  11   9.135  -0.773   0.569
   78   1HZ   LYS  11          3HZ       LYS  11  10.080  -0.226  -2.156
   79   2HZ   LYS  11          1HZ       LYS  11  10.935   0.022  -0.768
   80   3HZ   LYS  11          2HZ       LYS  11  10.529  -1.509  -1.223
   81    H    LEU  12           H        LEU  12   6.609  -5.680   0.452
   82    HA   LEU  12           HA       LEU  12   4.290  -4.903  -0.977
   83   1HB   LEU  12          1HB       LEU  12   3.763  -7.212  -1.196
   84   2HB   LEU  12          2HB       LEU  12   5.485  -6.927  -1.412
   85    HG   LEU  12           HG       LEU  12   5.600  -7.627   1.163
   86   1HD1  LEU  12          3HD1      LEU  12   3.136  -9.133   0.159
   87   2HD1  LEU  12          1HD1      LEU  12   4.010  -9.453   1.668
   88   3HD1  LEU  12          2HD1      LEU  12   3.122  -7.942   1.467
   89   1HD2  LEU  12          3HD2      LEU  12   6.743  -8.754  -0.709
   90   2HD2  LEU  12          1HD2      LEU  12   6.060  -9.932   0.423
   91   3HD2  LEU  12          2HD2      LEU  12   5.242  -9.607  -1.120
   92    H    SER  13           H        SER  13   4.712  -5.764   2.462
   93    HA   SER  13           HA       SER  13   1.957  -5.919   3.144
   94   1HB   SER  13          1HB       SER  13   3.729  -6.716   4.622
   95   2HB   SER  13          2HB       SER  13   4.343  -5.060   4.831
   96    HG   SER  13           HG       SER  13   2.949  -5.698   6.516
   97    H    GLN  14           H        GLN  14   4.282  -3.160   3.329
   98    HA   GLN  14           HA       GLN  14   2.527  -1.182   4.207
   99   1HB   GLN  14          1HB       GLN  14   5.008  -1.025   4.021
  100   2HB   GLN  14          2HB       GLN  14   4.846  -0.860   2.262
  101   1HG   GLN  14          1HG       GLN  14   3.390   1.191   2.704
  102   2HG   GLN  14          2HG       GLN  14   3.820   1.040   4.412
  103   1HE2  GLN  14          1HE2      GLN  14   7.389   1.769   3.696
  104   2HE2  GLN  14          2HE2      GLN  14   6.452   0.561   4.547
  105    H    GLU  15           H        GLU  15   3.253  -2.173   0.828
  106    HA   GLU  15           HA       GLU  15   1.625  -0.244  -0.450
  107   1HB   GLU  15          1HB       GLU  15   2.654  -2.960  -1.315
  108   2HB   GLU  15          2HB       GLU  15   1.755  -1.873  -2.389
  109   1HG   GLU  15          1HG       GLU  15   3.400  -0.105  -2.116
  110   2HG   GLU  15          2HG       GLU  15   4.317  -1.058  -0.949
  111    H    LEU  16           H        LEU  16   0.855  -3.738   0.237
  112    HA   LEU  16           HA       LEU  16  -1.716  -3.518  -0.904
  113   1HB   LEU  16          1HB       LEU  16  -2.139  -5.712  -0.247
  114   2HB   LEU  16          2HB       LEU  16  -0.450  -5.572  -0.707
  115    HG   LEU  16           HG       LEU  16  -0.062  -5.326   1.913
  116   1HD1  LEU  16          3HD1      LEU  16  -2.683  -6.900   1.767
  117   2HD1  LEU  16          1HD1      LEU  16  -1.634  -6.783   3.188
  118   3HD1  LEU  16          2HD1      LEU  16  -2.477  -5.350   2.596
  119   1HD2  LEU  16          3HD2      LEU  16   0.803  -7.153   0.463
  120   2HD2  LEU  16          1HD2      LEU  16   0.253  -7.765   2.030
  121   3HD2  LEU  16          2HD2      LEU  16  -0.761  -7.979   0.587
  122    H    HIS  17           H        HIS  17  -0.634  -2.947   2.436
  123    HA   HIS  17           HA       HIS  17  -3.299  -2.668   3.539
  124   1HB   HIS  17          1HB       HIS  17  -0.531  -1.836   4.447
  125   2HB   HIS  17          2HB       HIS  17  -1.999  -1.401   5.332
  126    HD1  HIS  17           HD1      HIS  17  -0.267  -4.603   4.113
  127    HD2  HIS  17           HD2      HIS  17  -2.790  -3.234   7.162
  128    HE1  HIS  17           HE1      HIS  17  -0.576  -6.518   5.755
  129    H    LYS  18           H        LYS  18  -0.885  -0.398   2.116
  130    HA   LYS  18           HA       LYS  18  -2.252   1.977   2.821
  131   1HB   LYS  18          1HB       LYS  18   0.081   1.975   2.265
  132   2HB   LYS  18          2HB       LYS  18  -0.257   1.388   0.617
  133   1HG   LYS  18          1HG       LYS  18  -1.317   3.473   0.017
  134   2HG   LYS  18          2HG       LYS  18  -1.324   4.019   1.702
  135   1HD   LYS  18          1HD       LYS  18   0.378   5.146   0.366
  136   2HD   LYS  18          2HD       LYS  18   1.101   4.257   1.706
  137   1HE   LYS  18          1HE       LYS  18   0.925   3.018  -1.068
  138   2HE   LYS  18          2HE       LYS  18   2.201   4.177  -0.664
  139   1HZ   LYS  18          2HZ       LYS  18   2.895   2.795   1.109
  140   2HZ   LYS  18          3HZ       LYS  18   1.730   1.678   0.783
  141   3HZ   LYS  18          1HZ       LYS  18   2.924   1.964  -0.313
  142    H    LEU  19           H        LEU  19  -2.343   0.059  -0.242
  143    HA   LEU  19           HA       LEU  19  -4.146   1.888  -1.508
  144   1HB   LEU  19          1HB       LEU  19  -4.238   0.310  -3.322
  145   2HB   LEU  19          2HB       LEU  19  -2.595   0.535  -2.735
  146    HG   LEU  19           HG       LEU  19  -3.039  -1.654  -1.342
  147   1HD1  LEU  19          3HD1      LEU  19  -5.122  -1.933  -3.552
  148   2HD1  LEU  19          1HD1      LEU  19  -4.488  -3.271  -2.576
  149   3HD1  LEU  19          2HD1      LEU  19  -5.427  -2.001  -1.803
  150   1HD2  LEU  19          2HD2      LEU  19  -2.671  -1.665  -4.366
  151   2HD2  LEU  19          3HD2      LEU  19  -1.390  -1.429  -3.157
  152   3HD2  LEU  19          1HD2      LEU  19  -2.221  -2.988  -3.269
  153    H    GLN  20           H        GLN  20  -4.778  -0.319   0.986
  154    HA   GLN  20           HA       GLN  20  -7.634  -0.654   0.240
  155   1HB   GLN  20          1HB       GLN  20  -6.380  -2.600   1.016
  156   2HB   GLN  20          2HB       GLN  20  -5.980  -1.800   2.534
  157   1HG   GLN  20          1HG       GLN  20  -8.828  -2.350   1.571
  158   2HG   GLN  20          2HG       GLN  20  -7.899  -3.453   2.590
  159   1HE2  GLN  20          1HE2      GLN  20  -9.964  -0.516   4.379
  160   2HE2  GLN  20          2HE2      GLN  20 -10.187  -1.003   2.713
  161    H    THR  21           H        THR  21  -5.633   0.365   3.035
  162    HA   THR  21           HA       THR  21  -7.788   1.565   4.431
  163    HB   THR  21           HB       THR  21  -4.778   1.825   4.854
  164    HG1  THR  21           HG1      THR  21  -6.677  -0.081   5.731
  165   1HG2  THR  21          3HG2      THR  21  -7.123   2.172   6.775
  166   2HG2  THR  21          1HG2      THR  21  -5.406   2.157   7.229
  167   3HG2  THR  21          2HG2      THR  21  -6.035   3.461   6.210
  168    H    TYR  22           H        TYR  22  -4.991   2.971   2.671
  169    HA   TYR  22           HA       TYR  22  -4.333   5.066   2.205
  170   1HB   TYR  22          1HB       TYR  22  -7.290   5.745   2.069
  171   2HB   TYR  22          2HB       TYR  22  -5.954   6.712   1.464
  172    HD1  TYR  22           HD1      TYR  22  -4.463   5.777  -0.380
  173    HD2  TYR  22           HD2      TYR  22  -8.201   3.949   0.751
  174    HE1  TYR  22           HE1      TYR  22  -4.557   4.614  -2.566
  175    HE2  TYR  22           HE2      TYR  22  -8.301   2.800  -1.439
  176    HH   TYR  22           HH       TYR  22  -7.255   2.430  -3.456
  177    HA   PRO  23           HA       PRO  23  -4.788   5.941   6.730
  178   1HB   PRO  23          1HB       PRO  23  -1.843   6.491   6.333
  179   2HB   PRO  23          2HB       PRO  23  -2.666   5.674   7.692
  180   1HG   PRO  23          1HG       PRO  23  -1.384   4.216   5.797
  181   2HG   PRO  23          2HG       PRO  23  -3.005   3.703   6.369
  182   1HD   PRO  23          2HD       PRO  23  -2.331   5.267   3.866
  183   2HD   PRO  23          1HD       PRO  23  -3.360   3.821   4.058
  184    H    ARG  24           H        ARG  24  -2.613   7.796   4.550
  185    HA   ARG  24           HA       ARG  24  -2.245   9.978   4.187
  186   1HB   ARG  24          1HB       ARG  24  -5.202  10.277   4.864
  187   2HB   ARG  24          2HB       ARG  24  -4.187  11.469   4.037
  188   1HG   ARG  24          1HG       ARG  24  -3.777   9.883   2.191
  189   2HG   ARG  24          2HG       ARG  24  -4.745   8.648   3.008
  190   1HD   ARG  24          1HD       ARG  24  -6.107   9.703   1.300
  191   2HD   ARG  24          2HD       ARG  24  -6.739  10.083   2.903
  192    HE   ARG  24           HE       ARG  24  -6.306  12.305   2.582
  193   1HH1  ARG  24          2HH2      ARG  24  -4.506  10.495   0.093
  194   2HH1  ARG  24          1HH2      ARG  24  -4.038  11.942  -0.767
  195   1HH2  ARG  24          1HH1      ARG  24  -5.672  14.160   1.434
  196   2HH2  ARG  24          2HH1      ARG  24  -4.695  14.016  -0.009
  197    H    THR  25           H        THR  25  -1.223   9.214   6.494
  198    HA   THR  25           HA       THR  25  -1.421  11.608   8.232
  199    HB   THR  25           HB       THR  25  -1.186  10.031  10.216
  200    HG1  THR  25           HG1      THR  25  -2.035   7.939   9.884
  201   1HG2  THR  25          2HG2      THR  25  -3.293  11.246   9.732
  202   2HG2  THR  25          3HG2      THR  25  -3.842   9.883   8.732
  203   3HG2  THR  25          1HG2      THR  25  -3.576   9.658  10.469
  204    H    ASP  26           H        ASP  26   0.283   8.480   8.443
  205    HA   ASP  26           HA       ASP  26   2.740   9.555   7.323
  206   1HB   ASP  26          1HB       ASP  26   2.799  10.344   9.717
  207   2HB   ASP  26          2HB       ASP  26   2.695   8.662  10.244
  208    H    VAL  27           H        VAL  27   1.065   7.713   6.325
  209    HA   VAL  27           HA       VAL  27   0.752   5.630   5.605
  210    HB   VAL  27           HB       VAL  27   3.745   5.250   6.024
  211   1HG1  VAL  27          3HG1      VAL  27   1.766   4.097   3.999
  212   2HG1  VAL  27          1HG1      VAL  27   3.516   3.808   4.017
  213   3HG1  VAL  27          2HG1      VAL  27   2.506   3.191   5.326
  214   1HG2  VAL  27          2HG2      VAL  27   2.240   6.599   3.739
  215   2HG2  VAL  27          3HG2      VAL  27   3.406   7.373   4.836
  216   3HG2  VAL  27          1HG2      VAL  27   3.954   6.136   3.703
  217    H    GLY  28           H        GLY  28  -0.450   5.474   7.726
  218   1HA   GLY  28          2HA       GLY  28   0.568   3.550   9.703
  219   2HA   GLY  28          1HA       GLY  28  -1.043   4.276   9.609
  220    H    ALA  29           H        ALA  29   1.091   2.115   7.699
  221    HA   ALA  29           HA       ALA  29  -1.111   0.226   7.121
  222   1HB   ALA  29          3HB       ALA  29   0.343   1.944   5.063
  223   2HB   ALA  29          1HB       ALA  29  -0.555   0.477   4.656
  224   3HB   ALA  29          2HB       ALA  29  -1.407   1.855   5.367
  225    H    GLY  30           H        GLY  30  -0.312  -1.774   7.246
  226   1HA   GLY  30          2HA       GLY  30   1.070  -3.565   7.159
  227   2HA   GLY  30          1HA       GLY  30   2.078  -2.672   6.012
  228    H    THR  31           H        THR  31   4.149  -2.433   6.714
  229    HA   THR  31           HA       THR  31   4.930  -2.990   9.390
  230    HB   THR  31           HB       THR  31   7.174  -1.888   8.385
  231    HG1  THR  31           HG1      THR  31   7.196  -2.417   6.153
  232   1HG2  THR  31          1HG2      THR  31   6.030  -4.616   7.664
  233   2HG2  THR  31          2HG2      THR  31   7.748  -4.152   7.611
  234   3HG2  THR  31          3HG2      THR  31   6.896  -4.204   9.162
  235    HA   PRO  32           HA       PRO  32   5.564   1.620  10.252
  236   1HB   PRO  32          1HB       PRO  32   4.953   3.590   8.472
  237   2HB   PRO  32          2HB       PRO  32   6.505   2.705   8.421
  238   1HG   PRO  32          1HG       PRO  32   4.003   2.092   6.817
  239   2HG   PRO  32          2HG       PRO  32   5.657   2.364   6.195
  240   1HD   PRO  32          1HD       PRO  32   4.728  -0.135   6.639
  241   2HD   PRO  32          2HD       PRO  32   6.406   0.293   7.093
  242   1HN   NH2  33          1HN       NH2  33   4.036   3.340  11.006
  243   2HN   NH2  33          2HN       NH2  33   2.317   3.015  10.944
   
  No H/Q in entry =         243
  Start of MODEL    4
    1   1H    CYS   1          3H        CYS   1  17.858  -1.887   3.678
    2   2H    CYS   1          1H        CYS   1  17.977  -1.560   2.066
    3   3H    CYS   1          2H        CYS   1  16.515  -1.455   2.824
    4    HA   CYS   1           HA       CYS   1  16.495  -3.773   3.272
    5   1HB   CYS   1          1HB       CYS   1  16.819  -2.894   0.391
    6   2HB   CYS   1          2HB       CYS   1  16.460  -4.562   0.832
    7    H    SER   2           H        SER   2  18.973  -3.321   0.738
    8    HA   SER   2           HA       SER   2  20.899  -4.319   0.251
    9   1HB   SER   2          1HB       SER   2  21.083  -5.355   3.115
   10   2HB   SER   2          2HB       SER   2  22.359  -5.306   1.896
   11    HG   SER   2           HG       SER   2  22.112  -3.031   1.853
   12    H    ASN   3           H        ASN   3  19.445  -6.694   2.527
   13    HA   ASN   3           HA       ASN   3  19.580  -8.838   0.507
   14   1HB   ASN   3          1HB       ASN   3  18.538  -8.836   3.367
   15   2HB   ASN   3          2HB       ASN   3  18.850 -10.260   2.368
   16   1HD2  ASN   3          1HD2      ASN   3  22.461 -10.023   2.608
   17   2HD2  ASN   3          2HD2      ASN   3  21.178 -10.448   1.495
   18    H    LEU   4           H        LEU   4  17.542 -10.300   0.563
   19    HA   LEU   4           HA       LEU   4  15.125  -8.727  -0.098
   20   1HB   LEU   4          1HB       LEU   4  15.707 -11.701  -0.308
   21   2HB   LEU   4          2HB       LEU   4  14.308 -10.847  -0.984
   22    HG   LEU   4           HG       LEU   4  17.210 -10.481  -1.842
   23   1HD1  LEU   4          1HD1      LEU   4  16.197 -12.624  -2.526
   24   2HD1  LEU   4          2HD1      LEU   4  14.824 -11.752  -3.243
   25   3HD1  LEU   4          3HD1      LEU   4  16.457 -11.554  -3.915
   26   1HD2  LEU   4          2HD2      LEU   4  14.642  -9.187  -2.870
   27   2HD2  LEU   4          3HD2      LEU   4  16.030  -8.352  -2.134
   28   3HD2  LEU   4          1HD2      LEU   4  16.208  -9.137  -3.705
   29    H    SER   5           H        SER   5  13.838 -11.468   0.856
   30    HA   SER   5           HA       SER   5  12.559 -12.166   2.528
   31   1HB   SER   5          1HB       SER   5  14.725 -13.016   3.202
   32   2HB   SER   5          2HB       SER   5  15.075 -11.556   4.136
   33    HG   SER   5           HG       SER   5  13.245 -12.064   5.424
   34    H    THR   6           H        THR   6  14.090  -9.933   4.802
   35    HA   THR   6           HA       THR   6  11.673  -8.975   5.892
   36    HB   THR   6           HB       THR   6  14.458  -7.732   5.915
   37    HG1  THR   6           HG1      THR   6  14.632  -8.933   7.841
   38   1HG2  THR   6          3HG2      THR   6  12.089  -7.412   7.817
   39   2HG2  THR   6          1HG2      THR   6  13.728  -6.792   8.103
   40   3HG2  THR   6          2HG2      THR   6  12.766  -6.147   6.765
   41    H    CYS   7           H        CYS   7  13.787  -7.702   3.309
   42    HA   CYS   7           HA       CYS   7  12.560  -5.180   2.924
   43   1HB   CYS   7          1HB       CYS   7  14.761  -5.949   2.030
   44   2HB   CYS   7          2HB       CYS   7  13.906  -7.000   0.901
   45    H    VAL   8           H        VAL   8  11.936  -8.394   1.440
   46    HA   VAL   8           HA       VAL   8   9.968  -7.502  -0.422
   47    HB   VAL   8           HB       VAL   8  10.588 -10.263   0.711
   48   1HG1  VAL   8          3HG2      VAL   8   8.892  -9.444  -1.687
   49   2HG1  VAL   8          1HG2      VAL   8   9.450 -11.097  -1.353
   50   3HG1  VAL   8          2HG2      VAL   8   8.339 -10.306  -0.232
   51   1HG2  VAL   8          2HG1      VAL   8  11.426  -8.889  -1.882
   52   2HG2  VAL   8          3HG1      VAL   8  12.488  -9.226  -0.500
   53   3HG2  VAL   8          1HG1      VAL   8  11.795 -10.564  -1.426
   54    H    LEU   9           H        LEU   9   9.695  -9.188   2.739
   55    HA   LEU   9           HA       LEU   9   6.883  -9.252   2.942
   56   1HB   LEU   9          1HB       LEU   9   9.072  -9.087   5.043
   57   2HB   LEU   9          2HB       LEU   9   7.379  -9.409   5.430
   58    HG   LEU   9           HG       LEU   9   8.982 -11.176   3.526
   59   1HD1  LEU   9          1HD1      LEU   9  10.079 -11.147   5.734
   60   2HD1  LEU   9          2HD1      LEU   9   8.526 -11.510   6.519
   61   3HD1  LEU   9          3HD1      LEU   9   9.282 -12.701   5.437
   62   1HD2  LEU   9          3HD2      LEU   9   6.393 -11.623   5.079
   63   2HD2  LEU   9          1HD2      LEU   9   6.535 -11.424   3.319
   64   3HD2  LEU   9          2HD2      LEU   9   7.237 -12.842   4.104
   65    H    GLY  10           H        GLY  10   9.229  -6.748   3.986
   66   1HA   GLY  10          2HA       GLY  10   7.418  -4.962   5.226
   67   2HA   GLY  10          1HA       GLY  10   8.980  -4.550   4.497
   68    H    LYS  11           H        LYS  11   8.690  -5.060   1.853
   69    HA   LYS  11           HA       LYS  11   7.418  -2.775   0.903
   70   1HB   LYS  11          1HB       LYS  11   9.246  -3.815  -0.281
   71   2HB   LYS  11          2HB       LYS  11   8.321  -5.300  -0.529
   72   1HG   LYS  11          1HG       LYS  11   8.439  -4.019  -2.570
   73   2HG   LYS  11          2HG       LYS  11   6.763  -4.130  -2.033
   74   1HD   LYS  11          1HD       LYS  11   6.922  -1.819  -1.089
   75   2HD   LYS  11          2HD       LYS  11   8.602  -1.717  -1.647
   76   1HE   LYS  11          1HE       LYS  11   6.148  -2.133  -3.421
   77   2HE   LYS  11          2HE       LYS  11   6.970  -0.586  -3.154
   78   1HZ   LYS  11          2HZ       LYS  11   8.942  -1.533  -4.101
   79   2HZ   LYS  11          3HZ       LYS  11   8.166  -2.960  -4.386
   80   3HZ   LYS  11          1HZ       LYS  11   7.683  -1.591  -5.164
   81    H    LEU  12           H        LEU  12   6.288  -6.214   0.544
   82    HA   LEU  12           HA       LEU  12   3.901  -5.441  -0.784
   83   1HB   LEU  12          1HB       LEU  12   3.201  -7.710  -0.645
   84   2HB   LEU  12          2HB       LEU  12   4.907  -7.589  -1.056
   85    HG   LEU  12           HG       LEU  12   5.234  -7.969   1.572
   86   1HD1  LEU  12          2HD1      LEU  12   2.767  -8.061   2.114
   87   2HD1  LEU  12          3HD1      LEU  12   2.605  -9.420   0.994
   88   3HD1  LEU  12          1HD1      LEU  12   3.592  -9.583   2.458
   89   1HD2  LEU  12          3HD2      LEU  12   6.113  -9.398  -0.237
   90   2HD2  LEU  12          1HD2      LEU  12   5.473 -10.377   1.094
   91   3HD2  LEU  12          2HD2      LEU  12   4.528 -10.181  -0.398
   92    H    SER  13           H        SER  13   4.598  -5.925   2.692
   93    HA   SER  13           HA       SER  13   1.911  -5.853   3.610
   94   1HB   SER  13          1HB       SER  13   3.765  -6.627   4.994
   95   2HB   SER  13          2HB       SER  13   4.485  -5.002   4.997
   96    HG   SER  13           HG       SER  13   3.220  -5.421   6.853
   97    H    GLN  14           H        GLN  14   4.348  -3.239   3.189
   98    HA   GLN  14           HA       GLN  14   2.703  -1.062   4.006
   99   1HB   GLN  14          1HB       GLN  14   5.113  -1.277   2.165
  100   2HB   GLN  14          2HB       GLN  14   4.358   0.266   2.598
  101   1HG   GLN  14          1HG       GLN  14   4.838  -0.032   4.936
  102   2HG   GLN  14          2HG       GLN  14   5.358  -1.701   4.697
  103   1HE2  GLN  14          1HE2      GLN  14   7.861   1.408   3.531
  104   2HE2  GLN  14          2HE2      GLN  14   6.133   1.663   3.645
  105    H    GLU  15           H        GLU  15   3.314  -2.537   0.783
  106    HA   GLU  15           HA       GLU  15   1.912  -0.670  -0.761
  107   1HB   GLU  15          1HB       GLU  15   3.501  -2.317  -1.631
  108   2HB   GLU  15          2HB       GLU  15   2.375  -3.636  -1.269
  109   1HG   GLU  15          1HG       GLU  15   0.746  -2.705  -2.872
  110   2HG   GLU  15          2HG       GLU  15   1.815  -1.324  -3.176
  111    H    LEU  16           H        LEU  16   0.722  -3.908   0.371
  112    HA   LEU  16           HA       LEU  16  -1.889  -3.520  -0.617
  113   1HB   LEU  16          1HB       LEU  16  -2.513  -5.515   0.471
  114   2HB   LEU  16          2HB       LEU  16  -0.891  -5.674  -0.189
  115    HG   LEU  16           HG       LEU  16  -0.151  -5.052   2.297
  116   1HD1  LEU  16          2HD1      LEU  16  -2.483  -4.701   3.197
  117   2HD1  LEU  16          3HD1      LEU  16  -2.882  -6.359   2.727
  118   3HD1  LEU  16          1HD1      LEU  16  -1.661  -6.053   3.976
  119   1HD2  LEU  16          3HD2      LEU  16   0.361  -7.167   1.097
  120   2HD2  LEU  16          1HD2      LEU  16  -0.059  -7.465   2.791
  121   3HD2  LEU  16          2HD2      LEU  16  -1.249  -7.784   1.512
  122    H    HIS  17           H        HIS  17  -0.461  -2.641   2.532
  123    HA   HIS  17           HA       HIS  17  -2.906  -2.004   3.855
  124   1HB   HIS  17          1HB       HIS  17  -0.853  -2.313   5.087
  125   2HB   HIS  17          2HB       HIS  17  -0.070  -0.979   4.229
  126    HD1  HIS  17           HD1      HIS  17  -0.707   1.453   4.890
  127    HD2  HIS  17           HD2      HIS  17  -2.699  -1.493   7.109
  128    HE1  HIS  17           HE1      HIS  17  -1.831   2.613   6.853
  129    H    LYS  18           H        LYS  18  -0.556   0.062   2.066
  130    HA   LYS  18           HA       LYS  18  -1.858   2.509   2.452
  131   1HB   LYS  18          1HB       LYS  18   0.043   1.502   0.316
  132   2HB   LYS  18          2HB       LYS  18  -0.573   3.165   0.330
  133   1HG   LYS  18          1HG       LYS  18   0.376   3.631   2.481
  134   2HG   LYS  18          2HG       LYS  18   0.771   1.941   2.767
  135   1HD   LYS  18          1HD       LYS  18   2.783   3.182   2.178
  136   2HD   LYS  18          2HD       LYS  18   2.427   1.949   0.963
  137   1HE   LYS  18          1HE       LYS  18   3.175   4.052  -0.066
  138   2HE   LYS  18          2HE       LYS  18   1.525   3.662  -0.564
  139   1HZ   LYS  18          3HZ       LYS  18   2.281   5.568   1.540
  140   2HZ   LYS  18          1HZ       LYS  18   1.787   5.958   0.016
  141   3HZ   LYS  18          2HZ       LYS  18   0.740   5.230   1.059
  142    H    LEU  19           H        LEU  19  -2.185   0.243  -0.364
  143    HA   LEU  19           HA       LEU  19  -4.104   1.948  -1.650
  144   1HB   LEU  19          1HB       LEU  19  -4.365   0.225  -3.279
  145   2HB   LEU  19          2HB       LEU  19  -2.672   0.488  -2.879
  146    HG   LEU  19           HG       LEU  19  -3.071  -1.573  -1.226
  147   1HD1  LEU  19          3HD1      LEU  19  -5.098  -2.096  -3.452
  148   2HD1  LEU  19          1HD1      LEU  19  -4.554  -3.268  -2.237
  149   3HD1  LEU  19          2HD1      LEU  19  -5.511  -1.870  -1.746
  150   1HD2  LEU  19          2HD2      LEU  19  -1.437  -1.480  -3.075
  151   2HD2  LEU  19          3HD2      LEU  19  -2.251  -3.053  -3.034
  152   3HD2  LEU  19          1HD2      LEU  19  -2.725  -1.840  -4.242
  153    H    GLN  20           H        GLN  20  -4.437  -0.661   0.749
  154    HA   GLN  20           HA       GLN  20  -7.245  -1.081   0.365
  155   1HB   GLN  20          1HB       GLN  20  -5.840  -2.696   1.483
  156   2HB   GLN  20          2HB       GLN  20  -5.454  -1.548   2.781
  157   1HG   GLN  20          1HG       GLN  20  -7.847  -1.516   3.448
  158   2HG   GLN  20          2HG       GLN  20  -8.225  -2.648   2.138
  159   1HE2  GLN  20          1HE2      GLN  20  -6.632  -5.477   3.760
  160   2HE2  GLN  20          2HE2      GLN  20  -6.921  -4.768   2.185
  161    H    THR  21           H        THR  21  -5.414   0.870   2.784
  162    HA   THR  21           HA       THR  21  -7.752   2.034   3.964
  163    HB   THR  21           HB       THR  21  -6.099   3.519   5.084
  164    HG1  THR  21           HG1      THR  21  -3.891   3.080   4.667
  165   1HG2  THR  21          2HG2      THR  21  -6.629   1.281   6.011
  166   2HG2  THR  21          3HG2      THR  21  -5.288   0.575   5.084
  167   3HG2  THR  21          1HG2      THR  21  -4.961   1.774   6.350
  168    H    TYR  22           H        TYR  22  -5.490   3.100   1.424
  169    HA   TYR  22           HA       TYR  22  -7.177   5.491   0.839
  170   1HB   TYR  22          1HB       TYR  22  -5.343   6.067   2.362
  171   2HB   TYR  22          2HB       TYR  22  -4.172   5.420   1.226
  172    HD1  TYR  22           HD2      TYR  22  -6.961   7.936   1.499
  173    HD2  TYR  22           HD1      TYR  22  -3.191   6.926  -0.337
  174    HE1  TYR  22           HE2      TYR  22  -6.785  10.233   0.594
  175    HE2  TYR  22           HE1      TYR  22  -3.017   9.225  -1.238
  176    HH   TYR  22           HH       TYR  22  -5.522  11.716  -0.634
  177    HA   PRO  23           HA       PRO  23  -6.072   2.944  -2.925
  178   1HB   PRO  23          1HB       PRO  23  -8.531   3.013  -4.149
  179   2HB   PRO  23          2HB       PRO  23  -8.090   1.828  -2.892
  180   1HG   PRO  23          1HG       PRO  23  -9.610   4.417  -2.531
  181   2HG   PRO  23          2HG       PRO  23 -10.030   2.798  -1.900
  182   1HD   PRO  23          1HD       PRO  23  -8.777   4.639  -0.368
  183   2HD   PRO  23          2HD       PRO  23  -8.329   2.914  -0.246
  184    H    ARG  24           H        ARG  24  -4.988   4.066  -4.391
  185    HA   ARG  24           HA       ARG  24  -4.268   5.604  -5.822
  186   1HB   ARG  24          1HB       ARG  24  -6.306   5.054  -7.024
  187   2HB   ARG  24          2HB       ARG  24  -7.216   6.300  -6.170
  188   1HG   ARG  24          1HG       ARG  24  -5.729   8.045  -7.152
  189   2HG   ARG  24          2HG       ARG  24  -4.830   6.779  -8.012
  190   1HD   ARG  24          1HD       ARG  24  -6.851   6.159  -9.253
  191   2HD   ARG  24          2HD       ARG  24  -7.821   7.294  -8.290
  192    HE   ARG  24           HE       ARG  24  -5.683   8.713  -9.515
  193   1HH1  ARG  24          2HH2      ARG  24  -8.735   7.103 -10.392
  194   2HH1  ARG  24          1HH2      ARG  24  -9.046   8.186 -11.731
  195   1HH2  ARG  24          1HH1      ARG  24  -6.128  10.105 -11.280
  196   2HH2  ARG  24          2HH1      ARG  24  -7.578   9.874 -12.233
  197    H    THR  25           H        THR  25  -6.894   7.770  -4.826
  198    HA   THR  25           HA       THR  25  -5.140   9.368  -3.080
  199    HB   THR  25           HB       THR  25  -5.795  11.435  -4.373
  200    HG1  THR  25           HG1      THR  25  -6.586  11.146  -6.437
  201   1HG2  THR  25          2HG2      THR  25  -3.544  10.429  -4.654
  202   2HG2  THR  25          3HG2      THR  25  -4.152   9.492  -6.038
  203   3HG2  THR  25          1HG2      THR  25  -4.139  11.260  -6.104
  204    H    ASP  26           H        ASP  26  -6.615  11.385  -2.412
  205    HA   ASP  26           HA       ASP  26  -8.908  10.494  -1.015
  206   1HB   ASP  26          1HB       ASP  26  -7.618  12.490  -0.404
  207   2HB   ASP  26          2HB       ASP  26  -8.071  13.284  -1.917
  208    H    VAL  27           H        VAL  27  -8.579  12.322  -4.087
  209    HA   VAL  27           HA       VAL  27 -11.097  11.130  -5.063
  210    HB   VAL  27           HB       VAL  27 -11.754  13.312  -4.261
  211   1HG1  VAL  27          1HG1      VAL  27  -9.564  14.508  -4.368
  212   2HG1  VAL  27          2HG1      VAL  27  -9.711  14.575  -6.140
  213   3HG1  VAL  27          3HG1      VAL  27 -10.892  15.403  -5.117
  214   1HG2  VAL  27          1HG2      VAL  27 -12.766  12.415  -6.339
  215   2HG2  VAL  27          2HG2      VAL  27 -12.740  14.188  -6.312
  216   3HG2  VAL  27          3HG2      VAL  27 -11.568  13.303  -7.305
  217    H    GLY  28           H        GLY  28 -10.764  10.199  -6.967
  218   1HA   GLY  28          2HA       GLY  28  -8.110  10.251  -8.158
  219   2HA   GLY  28          1HA       GLY  28  -9.491   9.236  -8.590
  220    H    ALA  29           H        ALA  29  -8.600  12.700  -8.632
  221    HA   ALA  29           HA       ALA  29  -8.769  14.359 -10.104
  222   1HB   ALA  29          2HB       ALA  29  -7.259  13.020 -11.433
  223   2HB   ALA  29          3HB       ALA  29  -8.599  12.143 -12.186
  224   3HB   ALA  29          1HB       ALA  29  -8.393  13.880 -12.491
  225    H    GLY  30           H        GLY  30 -10.650  12.168 -12.193
  226   1HA   GLY  30          2HA       GLY  30 -13.237  13.014 -11.326
  227   2HA   GLY  30          1HA       GLY  30 -12.753  13.904 -12.788
  228    H    THR  31           H        THR  31 -12.778  12.831 -14.761
  229    HA   THR  31           HA       THR  31 -13.888  10.156 -14.871
  230    HB   THR  31           HB       THR  31 -13.848  10.408 -17.279
  231    HG1  THR  31           HG1      THR  31 -12.051  11.695 -17.568
  232   1HG2  THR  31          3HG2      THR  31 -15.753  11.275 -15.947
  233   2HG2  THR  31          1HG2      THR  31 -14.965  12.868 -15.863
  234   3HG2  THR  31          2HG2      THR  31 -15.482  12.213 -17.428
  235    HA   PRO  32           HA       PRO  32  -9.617   8.844 -16.400
  236   1HB   PRO  32          1HB       PRO  32  -7.352  10.246 -16.051
  237   2HB   PRO  32          2HB       PRO  32  -8.522  10.700 -17.325
  238   1HG   PRO  32          1HG       PRO  32  -8.261  11.890 -14.552
  239   2HG   PRO  32          2HG       PRO  32  -8.321  12.763 -16.109
  240   1HD   PRO  32          1HD       PRO  32 -10.500  12.363 -14.524
  241   2HD   PRO  32          2HD       PRO  32 -10.620  12.440 -16.304
  242   1HN   NH2  33          1HN       NH2  33  -7.802   7.702 -15.270
  243   2HN   NH2  33          2HN       NH2  33  -7.823   7.614 -13.522
   
  No H/Q in entry =         243
  Start of MODEL    5
    1   1H    CYS   1          2H        CYS   1  18.050  -1.911   2.959
    2   2H    CYS   1          3H        CYS   1  18.031  -1.143   1.499
    3   3H    CYS   1          1H        CYS   1  16.720  -1.052   2.496
    4    HA   CYS   1           HA       CYS   1  16.317  -3.363   2.303
    5   1HB   CYS   1          1HB       CYS   1  15.274  -1.704   0.761
    6   2HB   CYS   1          2HB       CYS   1  16.566  -2.000  -0.397
    7    H    SER   2           H        SER   2  18.764  -3.867   2.980
    8    HA   SER   2           HA       SER   2  20.478  -4.818   0.830
    9   1HB   SER   2          1HB       SER   2  20.627  -5.143   3.858
   10   2HB   SER   2          2HB       SER   2  21.883  -5.628   2.700
   11    HG   SER   2           HG       SER   2  20.857  -3.008   3.065
   12    H    ASN   3           H        ASN   3  18.837  -6.449   3.594
   13    HA   ASN   3           HA       ASN   3  19.023  -9.073   2.370
   14   1HB   ASN   3          1HB       ASN   3  19.178  -8.840   4.774
   15   2HB   ASN   3          2HB       ASN   3  17.622  -8.002   4.847
   16   1HD2  ASN   3          1HD2      ASN   3  17.600 -12.082   3.987
   17   2HD2  ASN   3          2HD2      ASN   3  18.910 -11.079   3.404
   18    H    LEU   4           H        LEU   4  17.798  -9.460   0.605
   19    HA   LEU   4           HA       LEU   4  15.166  -8.224   0.206
   20   1HB   LEU   4          1HB       LEU   4  16.674 -10.236  -1.499
   21   2HB   LEU   4          2HB       LEU   4  15.266  -9.271  -1.973
   22    HG   LEU   4           HG       LEU   4  18.070  -8.242  -1.345
   23   1HD1  LEU   4          1HD1      LEU   4  17.806  -9.364  -3.527
   24   2HD1  LEU   4          2HD1      LEU   4  16.450  -8.284  -3.922
   25   3HD1  LEU   4          3HD1      LEU   4  18.087  -7.624  -3.717
   26   1HD2  LEU   4          1HD2      LEU   4  15.541  -6.695  -2.065
   27   2HD2  LEU   4          2HD2      LEU   4  16.496  -6.545  -0.571
   28   3HD2  LEU   4          3HD2      LEU   4  17.184  -6.024  -2.111
   29    H    SER   5           H        SER   5  14.796  -9.445   2.415
   30    HA   SER   5           HA       SER   5  12.876 -11.560   1.767
   31   1HB   SER   5          1HB       SER   5  14.875 -12.870   2.331
   32   2HB   SER   5          2HB       SER   5  15.058 -11.985   3.856
   33    HG   SER   5           HG       SER   5  13.939 -13.957   4.111
   34    H    THR   6           H        THR   6  14.494  -9.895   4.537
   35    HA   THR   6           HA       THR   6  12.087  -9.286   5.961
   36    HB   THR   6           HB       THR   6  14.831  -7.952   5.985
   37    HG1  THR   6           HG1      THR   6  15.097  -9.303   7.795
   38   1HG2  THR   6          3HG2      THR   6  12.528  -7.826   7.987
   39   2HG2  THR   6          1HG2      THR   6  14.168  -7.203   8.266
   40   3HG2  THR   6          2HG2      THR   6  13.149  -6.469   7.018
   41    H    CYS   7           H        CYS   7  14.092  -7.458   3.571
   42    HA   CYS   7           HA       CYS   7  12.577  -5.078   3.619
   43   1HB   CYS   7          1HB       CYS   7  14.786  -5.176   2.608
   44   2HB   CYS   7          2HB       CYS   7  14.200  -6.286   1.359
   45    H    VAL   8           H        VAL   8  12.381  -7.813   1.238
   46    HA   VAL   8           HA       VAL   8  10.343  -6.621  -0.247
   47    HB   VAL   8           HB       VAL   8  11.890  -8.411  -0.992
   48   1HG1  VAL   8          2HG2      VAL   8  11.568  -9.966   0.904
   49   2HG1  VAL   8          3HG2      VAL   8   9.943 -10.362   0.303
   50   3HG1  VAL   8          1HG2      VAL   8  11.373 -10.741  -0.675
   51   1HG2  VAL   8          3HG1      VAL   8   9.932  -7.711  -2.337
   52   2HG2  VAL   8          1HG1      VAL   8  10.307  -9.430  -2.556
   53   3HG2  VAL   8          2HG1      VAL   8   8.938  -8.948  -1.536
   54    H    LEU   9           H        LEU   9  10.049  -8.900   2.511
   55    HA   LEU   9           HA       LEU   9   7.212  -9.197   2.434
   56   1HB   LEU   9          1HB       LEU   9   9.233  -9.273   4.696
   57   2HB   LEU   9          2HB       LEU   9   7.518  -9.613   4.940
   58    HG   LEU   9           HG       LEU   9   9.240 -11.184   2.975
   59   1HD1  LEU   9          3HD1      LEU   9  10.081 -11.429   5.313
   60   2HD1  LEU   9          1HD1      LEU   9   8.447 -11.875   5.840
   61   3HD1  LEU   9          2HD1      LEU   9   9.339 -12.922   4.715
   62   1HD2  LEU   9          1HD2      LEU   9   6.496 -11.714   4.201
   63   2HD2  LEU   9          2HD2      LEU   9   6.836 -11.368   2.492
   64   3HD2  LEU   9          3HD2      LEU   9   7.418 -12.867   3.216
   65    H    GLY  10           H        GLY  10   9.328  -6.723   3.936
   66   1HA   GLY  10          2HA       GLY  10   7.350  -5.172   5.229
   67   2HA   GLY  10          1HA       GLY  10   8.907  -4.596   4.612
   68    H    LYS  11           H        LYS  11   8.744  -4.871   1.909
   69    HA   LYS  11           HA       LYS  11   7.336  -2.573   1.129
   70   1HB   LYS  11          1HB       LYS  11   8.450  -4.875  -0.518
   71   2HB   LYS  11          2HB       LYS  11   7.872  -3.362  -1.216
   72   1HG   LYS  11          1HG       LYS  11  10.123  -3.477   0.835
   73   2HG   LYS  11          2HG       LYS  11  10.364  -3.580  -0.912
   74   1HD   LYS  11          1HD       LYS  11   9.321  -1.350  -1.201
   75   2HD   LYS  11          2HD       LYS  11   9.046  -1.247   0.547
   76   1HE   LYS  11          1HE       LYS  11  11.021   0.024  -0.004
   77   2HE   LYS  11          2HE       LYS  11  11.493  -1.393   0.949
   78   1HZ   LYS  11          3HZ       LYS  11  11.679  -1.142  -1.972
   79   2HZ   LYS  11          1HZ       LYS  11  12.935  -1.028  -0.909
   80   3HZ   LYS  11          2HZ       LYS  11  12.140  -2.458  -1.091
   81    H    LEU  12           H        LEU  12   6.493  -6.035   0.434
   82    HA   LEU  12           HA       LEU  12   4.102  -5.296  -0.935
   83   1HB   LEU  12          1HB       LEU  12   3.593  -7.605  -1.093
   84   2HB   LEU  12          2HB       LEU  12   5.302  -7.319  -1.391
   85    HG   LEU  12           HG       LEU  12   5.542  -7.976   1.183
   86   1HD1  LEU  12          2HD1      LEU  12   3.074  -8.275   1.612
   87   2HD1  LEU  12          3HD1      LEU  12   3.031  -9.502   0.337
   88   3HD1  LEU  12          1HD1      LEU  12   3.976  -9.778   1.812
   89   1HD2  LEU  12          2HD2      LEU  12   5.059  -9.981  -1.058
   90   2HD2  LEU  12          3HD2      LEU  12   6.590  -9.152  -0.712
   91   3HD2  LEU  12          1HD2      LEU  12   5.931 -10.311   0.452
   92    H    SER  13           H        SER  13   4.745  -6.020   2.498
   93    HA   SER  13           HA       SER  13   2.029  -6.254   3.332
   94   1HB   SER  13          1HB       SER  13   3.884  -7.004   4.716
   95   2HB   SER  13          2HB       SER  13   4.489  -5.339   4.871
   96    HG   SER  13           HG       SER  13   3.196  -5.987   6.639
   97    H    GLN  14           H        GLN  14   4.283  -3.456   3.179
   98    HA   GLN  14           HA       GLN  14   2.489  -1.453   4.105
   99   1HB   GLN  14          1HB       GLN  14   4.931  -1.387   2.297
  100   2HB   GLN  14          2HB       GLN  14   4.065   0.073   2.802
  101   1HG   GLN  14          1HG       GLN  14   4.536  -0.313   5.122
  102   2HG   GLN  14          2HG       GLN  14   5.149  -1.938   4.815
  103   1HE2  GLN  14          1HE2      GLN  14   7.501   1.355   3.856
  104   2HE2  GLN  14          2HE2      GLN  14   5.760   1.513   3.959
  105    H    GLU  15           H        GLU  15   3.150  -2.742   0.811
  106    HA   GLU  15           HA       GLU  15   1.652  -0.881  -0.647
  107   1HB   GLU  15          1HB       GLU  15   3.267  -2.490  -1.591
  108   2HB   GLU  15          2HB       GLU  15   2.129  -3.815  -1.289
  109   1HG   GLU  15          1HG       GLU  15   0.484  -2.763  -2.812
  110   2HG   GLU  15          2HG       GLU  15   1.585  -1.398  -3.066
  111    H    LEU  16           H        LEU  16   0.582  -4.049   0.742
  112    HA   LEU  16           HA       LEU  16  -2.125  -3.675  -0.185
  113   1HB   LEU  16          1HB       LEU  16  -2.658  -5.735   0.919
  114   2HB   LEU  16          2HB       LEU  16  -1.211  -5.839  -0.074
  115    HG   LEU  16           HG       LEU  16   0.168  -5.642   2.045
  116   1HD1  LEU  16          3HD1      LEU  16  -2.533  -6.114   3.369
  117   2HD1  LEU  16          1HD1      LEU  16  -0.964  -6.400   4.150
  118   3HD1  LEU  16          2HD1      LEU  16  -1.405  -4.769   3.663
  119   1HD2  LEU  16          3HD2      LEU  16  -0.196  -7.755   0.848
  120   2HD2  LEU  16          1HD2      LEU  16  -0.133  -8.017   2.598
  121   3HD2  LEU  16          2HD2      LEU  16  -1.700  -8.020   1.758
  122    H    HIS  17           H        HIS  17  -0.713  -1.807   2.008
  123    HA   HIS  17           HA       HIS  17  -3.291  -1.329   3.429
  124   1HB   HIS  17          1HB       HIS  17  -0.461  -0.658   4.320
  125   2HB   HIS  17          2HB       HIS  17  -1.948  -0.174   5.142
  126    HD1  HIS  17           HD1      HIS  17  -3.542  -2.814   5.146
  127    HD2  HIS  17           HD2      HIS  17   0.540  -2.540   6.069
  128    HE1  HIS  17           HE1      HIS  17  -2.952  -4.824   6.580
  129    H    LYS  18           H        LYS  18  -0.626  -0.077   1.469
  130    HA   LYS  18           HA       LYS  18  -1.071   2.662   1.602
  131   1HB   LYS  18          1HB       LYS  18   0.820   1.364   0.550
  132   2HB   LYS  18          2HB       LYS  18  -0.178   1.107  -0.872
  133   1HG   LYS  18          1HG       LYS  18   0.641   3.807   0.307
  134   2HG   LYS  18          2HG       LYS  18   1.506   2.976  -0.978
  135   1HD   LYS  18          1HD       LYS  18  -1.283   4.173  -1.145
  136   2HD   LYS  18          2HD       LYS  18   0.187   4.749  -1.912
  137   1HE   LYS  18          1HE       LYS  18  -1.278   2.164  -2.598
  138   2HE   LYS  18          2HE       LYS  18  -1.187   3.641  -3.560
  139   1HZ   LYS  18          2HZ       LYS  18   1.165   3.313  -3.747
  140   2HZ   LYS  18          3HZ       LYS  18   1.079   1.920  -2.866
  141   3HZ   LYS  18          1HZ       LYS  18   0.335   2.013  -4.334
  142    H    LEU  19           H        LEU  19  -2.392   0.326  -0.805
  143    HA   LEU  19           HA       LEU  19  -4.563   2.188  -1.561
  144   1HB   LEU  19          1HB       LEU  19  -5.297   0.115  -2.932
  145   2HB   LEU  19          2HB       LEU  19  -3.979   1.153  -3.416
  146    HG   LEU  19           HG       LEU  19  -2.286  -0.420  -2.684
  147   1HD1  LEU  19          1HD1      LEU  19  -3.508  -1.660  -0.894
  148   2HD1  LEU  19          2HD1      LEU  19  -4.574  -2.367  -2.137
  149   3HD1  LEU  19          3HD1      LEU  19  -2.846  -2.732  -2.140
  150   1HD2  LEU  19          3HD2      LEU  19  -3.101  -0.428  -4.985
  151   2HD2  LEU  19          1HD2      LEU  19  -2.671  -2.064  -4.464
  152   3HD2  LEU  19          2HD2      LEU  19  -4.379  -1.584  -4.552
  153    H    GLN  20           H        GLN  20  -5.690  -1.012  -1.257
  154    HA   GLN  20           HA       GLN  20  -6.918  -2.152   0.179
  155   1HB   GLN  20          1HB       GLN  20  -5.013  -1.685   1.696
  156   2HB   GLN  20          2HB       GLN  20  -5.891  -0.320   2.391
  157   1HG   GLN  20          1HG       GLN  20  -7.710  -1.840   3.106
  158   2HG   GLN  20          2HG       GLN  20  -6.852  -3.208   2.374
  159   1HE2  GLN  20          1HE2      GLN  20  -5.301  -1.444   5.819
  160   2HE2  GLN  20          2HE2      GLN  20  -6.256  -0.494   4.702
  161    H    THR  21           H        THR  21  -7.233   1.144   1.561
  162    HA   THR  21           HA       THR  21 -10.139   0.954   1.690
  163    HB   THR  21           HB       THR  21  -8.178   3.183   2.389
  164    HG1  THR  21           HG1      THR  21  -8.587   2.417   4.487
  165   1HG2  THR  21          3HG2      THR  21 -11.148   2.838   3.016
  166   2HG2  THR  21          1HG2      THR  21 -10.080   4.053   3.752
  167   3HG2  THR  21          2HG2      THR  21 -10.414   4.114   2.017
  168    H    TYR  22           H        TYR  22  -7.817   3.261   0.183
  169    HA   TYR  22           HA       TYR  22  -9.207   3.388  -2.321
  170   1HB   TYR  22          1HB       TYR  22  -9.702   5.613  -0.319
  171   2HB   TYR  22          2HB       TYR  22  -9.708   5.920  -2.048
  172    HD1  TYR  22           HD2      TYR  22 -11.171   4.237  -3.513
  173    HD2  TYR  22           HD1      TYR  22 -11.852   5.244   0.623
  174    HE1  TYR  22           HE2      TYR  22 -13.498   3.395  -3.686
  175    HE2  TYR  22           HE1      TYR  22 -14.159   4.371   0.455
  176    HH   TYR  22           HH       TYR  22 -15.453   2.947  -2.570
  177    HA   PRO  23           HA       PRO  23  -5.884   6.856  -2.155
  178   1HB   PRO  23          1HB       PRO  23  -3.977   5.689  -0.116
  179   2HB   PRO  23          2HB       PRO  23  -4.248   7.398  -0.561
  180   1HG   PRO  23          1HG       PRO  23  -5.439   6.392   1.637
  181   2HG   PRO  23          2HG       PRO  23  -6.414   7.370   0.497
  182   1HD   PRO  23          1HD       PRO  23  -6.226   4.353   0.677
  183   2HD   PRO  23          2HD       PRO  23  -7.681   5.392   0.611
  184    H    ARG  24           H        ARG  24  -5.391   6.279  -4.197
  185    HA   ARG  24           HA       ARG  24  -2.797   5.351  -4.844
  186   1HB   ARG  24          1HB       ARG  24  -3.511   3.327  -6.213
  187   2HB   ARG  24          2HB       ARG  24  -3.501   3.103  -4.486
  188   1HG   ARG  24          1HG       ARG  24  -5.800   3.034  -4.285
  189   2HG   ARG  24          2HG       ARG  24  -6.102   3.939  -5.783
  190   1HD   ARG  24          1HD       ARG  24  -4.947   1.121  -5.701
  191   2HD   ARG  24          2HD       ARG  24  -6.672   1.499  -5.847
  192    HE   ARG  24           HE       ARG  24  -5.040   2.881  -7.808
  193   1HH1  ARG  24          2HH2      ARG  24  -6.661  -0.220  -7.148
  194   2HH1  ARG  24          1HH2      ARG  24  -6.892  -0.580  -8.842
  195   1HH2  ARG  24          1HH1      ARG  24  -5.386   2.395  -9.998
  196   2HH2  ARG  24          2HH1      ARG  24  -6.168   0.901 -10.461
  197    H    THR  25           H        THR  25  -3.176   4.708  -7.536
  198    HA   THR  25           HA       THR  25  -3.722   7.094  -8.874
  199    HB   THR  25           HB       THR  25  -4.004   4.226  -9.881
  200    HG1  THR  25           HG1      THR  25  -1.983   4.665  -8.955
  201   1HG2  THR  25          1HG2      THR  25  -3.458   6.836 -11.370
  202   2HG2  THR  25          2HG2      THR  25  -3.406   5.209 -12.080
  203   3HG2  THR  25          3HG2      THR  25  -4.941   5.864 -11.490
  204    H    ASP  26           H        ASP  26  -5.856   4.351  -8.109
  205    HA   ASP  26           HA       ASP  26  -8.024   4.150  -7.795
  206   1HB   ASP  26          1HB       ASP  26  -7.548   6.193  -6.409
  207   2HB   ASP  26          2HB       ASP  26  -8.207   7.187  -7.710
  208    H    VAL  27           H        VAL  27  -7.817   3.325 -10.059
  209    HA   VAL  27           HA       VAL  27  -8.850   4.981 -12.218
  210    HB   VAL  27           HB       VAL  27  -8.056   2.043 -12.104
  211   1HG1  VAL  27          2HG1      VAL  27  -8.698   3.849 -14.483
  212   2HG1  VAL  27          3HG1      VAL  27  -7.998   2.221 -14.587
  213   3HG1  VAL  27          1HG1      VAL  27  -9.639   2.434 -13.968
  214   1HG2  VAL  27          3HG2      VAL  27  -6.603   4.505 -13.167
  215   2HG2  VAL  27          1HG2      VAL  27  -6.165   3.595 -11.708
  216   3HG2  VAL  27          2HG2      VAL  27  -6.040   2.827 -13.294
  217    H    GLY  28           H        GLY  28  -9.923   1.693 -11.192
  218   1HA   GLY  28          2HA       GLY  28 -12.730   2.339 -11.862
  219   2HA   GLY  28          1HA       GLY  28 -12.040   0.768 -11.429
  220    H    ALA  29           H        ALA  29 -12.348   4.029  -9.978
  221    HA   ALA  29           HA       ALA  29 -12.609   4.786  -7.892
  222   1HB   ALA  29          2HB       ALA  29 -14.871   3.810  -8.152
  223   2HB   ALA  29          3HB       ALA  29 -14.307   2.310  -7.385
  224   3HB   ALA  29          1HB       ALA  29 -14.321   3.829  -6.469
  225    H    GLY  30           H        GLY  30 -10.328   2.981  -8.538
  226   1HA   GLY  30          2HA       GLY  30  -8.622   1.847  -7.594
  227   2HA   GLY  30          1HA       GLY  30  -8.963   2.785  -6.127
  228    H    THR  31           H        THR  31  -8.640   1.228  -4.607
  229    HA   THR  31           HA       THR  31 -10.064  -1.330  -4.648
  230    HB   THR  31           HB       THR  31  -9.108  -1.505  -2.331
  231    HG1  THR  31           HG1      THR  31  -7.821   0.926  -3.029
  232   1HG2  THR  31          1HG2      THR  31  -7.899  -2.384  -4.311
  233   2HG2  THR  31          2HG2      THR  31  -7.062  -0.826  -4.486
  234   3HG2  THR  31          3HG2      THR  31  -6.804  -1.823  -3.037
  235    HA   PRO  32           HA       PRO  32 -13.680   0.472  -2.763
  236   1HB   PRO  32          1HB       PRO  32 -14.868  -1.657  -1.549
  237   2HB   PRO  32          2HB       PRO  32 -14.691  -1.548  -3.324
  238   1HG   PRO  32          1HG       PRO  32 -12.869  -3.006  -1.385
  239   2HG   PRO  32          2HG       PRO  32 -13.623  -3.655  -2.871
  240   1HD   PRO  32          1HD       PRO  32 -11.078  -2.692  -2.867
  241   2HD   PRO  32          2HD       PRO  32 -12.164  -2.401  -4.258
  242   1HN   NH2  33          1HN       NH2  33 -14.421   1.353  -0.778
  243   2HN   NH2  33          2HN       NH2  33 -13.536   1.171   0.721
   
  No H/Q in entry =         243
  Start of MODEL    6
    1   1H    CYS   1          3H        CYS   1  17.901  -1.808   2.571
    2   2H    CYS   1          1H        CYS   1  18.095  -1.367   0.994
    3   3H    CYS   1          2H        CYS   1  16.638  -1.154   1.737
    4    HA   CYS   1           HA       CYS   1  16.337  -3.472   1.990
    5   1HB   CYS   1          1HB       CYS   1  15.511  -2.269  -0.022
    6   2HB   CYS   1          2HB       CYS   1  16.988  -2.702  -0.874
    7    H    SER   2           H        SER   2  18.187  -4.235   3.200
    8    HA   SER   2           HA       SER   2  20.576  -5.142   1.745
    9   1HB   SER   2          1HB       SER   2  20.778  -4.011   3.919
   10   2HB   SER   2          2HB       SER   2  19.800  -5.280   4.686
   11    HG   SER   2           HG       SER   2  22.048  -5.642   4.897
   12    H    ASN   3           H        ASN   3  17.812  -6.506   3.561
   13    HA   ASN   3           HA       ASN   3  18.747  -9.196   3.573
   14   1HB   ASN   3          1HB       ASN   3  15.959  -8.044   3.987
   15   2HB   ASN   3          2HB       ASN   3  16.452  -9.702   4.353
   16   1HD2  ASN   3          1HD2      ASN   3  17.555  -6.614   6.863
   17   2HD2  ASN   3          2HD2      ASN   3  16.907  -6.283   5.271
   18    H    LEU   4           H        LEU   4  16.394  -7.471   1.496
   19    HA   LEU   4           HA       LEU   4  15.125  -8.072  -0.260
   20   1HB   LEU   4          1HB       LEU   4  17.441  -9.943  -0.918
   21   2HB   LEU   4          2HB       LEU   4  16.015  -9.696  -1.923
   22    HG   LEU   4           HG       LEU   4  16.521  -7.267  -2.084
   23   1HD1  LEU   4          1HD1      LEU   4  19.135  -8.100  -0.745
   24   2HD1  LEU   4          2HD1      LEU   4  18.922  -6.601  -1.671
   25   3HD1  LEU   4          3HD1      LEU   4  17.997  -6.846  -0.193
   26   1HD2  LEU   4          2HD2      LEU   4  17.097  -8.889  -3.851
   27   2HD2  LEU   4          3HD2      LEU   4  18.307  -7.600  -3.752
   28   3HD2  LEU   4          1HD2      LEU   4  18.661  -9.200  -3.066
   29    H    SER   5           H        SER   5  14.460  -9.044   2.187
   30    HA   SER   5           HA       SER   5  12.782 -11.343   1.591
   31   1HB   SER   5          1HB       SER   5  15.057 -11.560   3.627
   32   2HB   SER   5          2HB       SER   5  13.637 -12.623   3.599
   33    HG   SER   5           HG       SER   5  15.445 -12.264   1.450
   34    H    THR   6           H        THR   6  14.253  -9.712   4.452
   35    HA   THR   6           HA       THR   6  11.771  -9.114   5.767
   36    HB   THR   6           HB       THR   6  14.475  -7.723   5.990
   37    HG1  THR   6           HG1      THR   6  14.819  -9.224   7.653
   38   1HG2  THR   6          3HG2      THR   6  12.147  -7.968   7.947
   39   2HG2  THR   6          1HG2      THR   6  13.724  -7.231   8.299
   40   3HG2  THR   6          2HG2      THR   6  12.650  -6.485   7.104
   41    H    CYS   7           H        CYS   7  13.956  -7.385   3.536
   42    HA   CYS   7           HA       CYS   7  12.617  -4.927   3.234
   43   1HB   CYS   7          1HB       CYS   7  14.825  -5.273   2.363
   44   2HB   CYS   7          2HB       CYS   7  14.293  -6.643   1.387
   45    H    VAL   8           H        VAL   8  12.266  -7.988   1.347
   46    HA   VAL   8           HA       VAL   8  10.296  -7.063  -0.439
   47    HB   VAL   8           HB       VAL   8  10.991  -9.856   0.543
   48   1HG1  VAL   8          3HG2      VAL   8   9.177  -9.015  -1.756
   49   2HG1  VAL   8          1HG2      VAL   8   9.844 -10.647  -1.538
   50   3HG1  VAL   8          2HG2      VAL   8   8.728  -9.993  -0.338
   51   1HG2  VAL   8          3HG1      VAL   8  12.776  -8.601  -0.693
   52   2HG2  VAL   8          1HG1      VAL   8  12.186 -10.004  -1.595
   53   3HG2  VAL   8          2HG1      VAL   8  11.650  -8.371  -2.042
   54    H    LEU   9           H        LEU   9   9.891  -8.894   2.636
   55    HA   LEU   9           HA       LEU   9   7.068  -8.969   2.674
   56   1HB   LEU   9          1HB       LEU   9   9.153  -8.928   4.877
   57   2HB   LEU   9          2HB       LEU   9   7.434  -9.166   5.202
   58    HG   LEU   9           HG       LEU   9   8.971 -10.974   3.289
   59   1HD1  LEU   9          2HD1      LEU   9  10.049 -11.055   5.512
   60   2HD1  LEU   9          3HD1      LEU   9   8.471 -11.349   6.273
   61   3HD1  LEU   9          1HD1      LEU   9   9.171 -12.556   5.171
   62   1HD2  LEU   9          2HD2      LEU   9   6.356 -11.322   4.824
   63   2HD2  LEU   9          3HD2      LEU   9   6.510 -11.083   3.071
   64   3HD2  LEU   9          1HD2      LEU   9   7.137 -12.556   3.816
   65    H    GLY  10           H        GLY  10   9.342  -6.473   3.884
   66   1HA   GLY  10          2HA       GLY  10   7.483  -4.760   5.136
   67   2HA   GLY  10          1HA       GLY  10   9.044  -4.294   4.441
   68    H    LYS  11           H        LYS  11   8.737  -4.774   1.760
   69    HA   LYS  11           HA       LYS  11   7.403  -2.455   0.855
   70   1HB   LYS  11          1HB       LYS  11   8.530  -4.882  -0.574
   71   2HB   LYS  11          2HB       LYS  11   7.807  -3.506  -1.427
   72   1HG   LYS  11          1HG       LYS  11   9.430  -1.966  -0.547
   73   2HG   LYS  11          2HG       LYS  11  10.060  -3.157   0.587
   74   1HD   LYS  11          1HD       LYS  11  11.580  -2.902  -1.302
   75   2HD   LYS  11          2HD       LYS  11  10.924  -4.543  -1.224
   76   1HE   LYS  11          1HE       LYS  11  11.029  -3.712  -3.534
   77   2HE   LYS  11          2HE       LYS  11   9.359  -4.038  -3.062
   78   1HZ   LYS  11          3HZ       LYS  11  10.652  -1.400  -3.096
   79   2HZ   LYS  11          1HZ       LYS  11   9.592  -1.971  -4.223
   80   3HZ   LYS  11          2HZ       LYS  11   9.083  -1.695  -2.680
   81    H    LEU  12           H        LEU  12   6.462  -5.938   0.406
   82    HA   LEU  12           HA       LEU  12   4.050  -5.232  -0.940
   83   1HB   LEU  12          1HB       LEU  12   3.474  -7.543  -0.908
   84   2HB   LEU  12          2HB       LEU  12   5.169  -7.303  -1.314
   85    HG   LEU  12           HG       LEU  12   5.523  -7.782   1.294
   86   1HD1  LEU  12          2HD1      LEU  12   3.078  -8.046   1.839
   87   2HD1  LEU  12          3HD1      LEU  12   2.982  -9.354   0.650
   88   3HD1  LEU  12          1HD1      LEU  12   3.987  -9.536   2.101
   89   1HD2  LEU  12          3HD2      LEU  12   6.485  -9.069  -0.580
   90   2HD2  LEU  12          1HD2      LEU  12   5.910 -10.147   0.702
   91   3HD2  LEU  12          2HD2      LEU  12   4.951  -9.939  -0.779
   92    H    SER  13           H        SER  13   4.753  -5.801   2.522
   93    HA   SER  13           HA       SER  13   2.041  -5.866   3.403
   94   1HB   SER  13          1HB       SER  13   3.894  -6.608   4.810
   95   2HB   SER  13          2HB       SER  13   4.566  -4.961   4.849
   96    HG   SER  13           HG       SER  13   2.011  -5.758   5.795
   97    H    GLN  14           H        GLN  14   4.406  -3.182   3.062
   98    HA   GLN  14           HA       GLN  14   2.751  -1.073   3.948
   99   1HB   GLN  14          1HB       GLN  14   5.185  -0.935   3.718
  100   2HB   GLN  14          2HB       GLN  14   5.054  -1.077   1.956
  101   1HG   GLN  14          1HG       GLN  14   3.811   1.068   1.869
  102   2HG   GLN  14          2HG       GLN  14   3.853   1.166   3.638
  103   1HE2  GLN  14          1HE2      GLN  14   7.343   1.786   1.446
  104   2HE2  GLN  14          2HE2      GLN  14   6.069   0.772   0.804
  105    H    GLU  15           H        GLU  15   3.253  -2.464   0.671
  106    HA   GLU  15           HA       GLU  15   1.705  -0.591  -0.771
  107   1HB   GLU  15          1HB       GLU  15   3.343  -2.128  -1.761
  108   2HB   GLU  15          2HB       GLU  15   2.312  -3.515  -1.370
  109   1HG   GLU  15          1HG       GLU  15   0.545  -2.638  -2.861
  110   2HG   GLU  15          2HG       GLU  15   1.529  -1.203  -3.198
  111    H    LEU  16           H        LEU  16   0.817  -3.846   0.502
  112    HA   LEU  16           HA       LEU  16  -1.893  -3.824  -0.300
  113   1HB   LEU  16          1HB       LEU  16  -0.431  -5.220   1.963
  114   2HB   LEU  16          2HB       LEU  16  -2.124  -5.544   1.583
  115    HG   LEU  16           HG       LEU  16   0.080  -5.863  -0.499
  116   1HD1  LEU  16          1HD1      LEU  16   0.555  -7.332   1.441
  117   2HD1  LEU  16          2HD1      LEU  16  -1.100  -7.971   1.360
  118   3HD1  LEU  16          3HD1      LEU  16   0.039  -8.267   0.028
  119   1HD2  LEU  16          3HD2      LEU  16  -2.761  -6.957  -0.303
  120   2HD2  LEU  16          1HD2      LEU  16  -2.199  -5.709  -1.435
  121   3HD2  LEU  16          2HD2      LEU  16  -1.583  -7.358  -1.568
  122    H    HIS  17           H        HIS  17  -0.359  -2.694   2.752
  123    HA   HIS  17           HA       HIS  17  -2.782  -1.984   4.065
  124   1HB   HIS  17          1HB       HIS  17  -0.706  -2.226   5.285
  125   2HB   HIS  17          2HB       HIS  17   0.045  -0.917   4.361
  126    HD1  HIS  17           HD1      HIS  17  -0.053   1.342   5.425
  127    HD2  HIS  17           HD2      HIS  17  -3.168  -1.136   6.738
  128    HE1  HIS  17           HE1      HIS  17  -1.389   2.650   7.147
  129    H    LYS  18           H        LYS  18  -0.580  -0.113   1.917
  130    HA   LYS  18           HA       LYS  18  -1.756   2.407   2.276
  131   1HB   LYS  18          1HB       LYS  18   0.436   2.054   1.278
  132   2HB   LYS  18          2HB       LYS  18  -0.297   1.260  -0.129
  133   1HG   LYS  18          1HG       LYS  18  -1.407   3.360  -0.773
  134   2HG   LYS  18          2HG       LYS  18  -0.859   4.131   0.726
  135   1HD   LYS  18          1HD       LYS  18   0.525   4.857  -1.118
  136   2HD   LYS  18          2HD       LYS  18   1.499   3.888  -0.001
  137   1HE   LYS  18          1HE       LYS  18   1.356   1.948  -1.517
  138   2HE   LYS  18          2HE       LYS  18   0.249   2.838  -2.584
  139   1HZ   LYS  18          2HZ       LYS  18   2.012   4.385  -2.996
  140   2HZ   LYS  18          3HZ       LYS  18   3.030   3.558  -1.996
  141   3HZ   LYS  18          1HZ       LYS  18   2.483   2.853  -3.382
  142    H    LEU  19           H        LEU  19  -2.360   0.011  -0.375
  143    HA   LEU  19           HA       LEU  19  -4.454   1.572  -1.533
  144   1HB   LEU  19          1HB       LEU  19  -4.841  -0.282  -3.005
  145   2HB   LEU  19          2HB       LEU  19  -3.129   0.075  -2.817
  146    HG   LEU  19           HG       LEU  19  -3.236  -1.878  -1.001
  147   1HD1  LEU  19          2HD1      LEU  19  -5.704  -2.303  -1.209
  148   2HD1  LEU  19          3HD1      LEU  19  -5.476  -2.640  -2.933
  149   3HD1  LEU  19          1HD1      LEU  19  -4.743  -3.696  -1.709
  150   1HD2  LEU  19          3HD2      LEU  19  -1.827  -1.850  -3.017
  151   2HD2  LEU  19          1HD2      LEU  19  -2.555  -3.447  -2.778
  152   3HD2  LEU  19          2HD2      LEU  19  -3.215  -2.347  -4.007
  153    H    GLN  20           H        GLN  20  -4.467  -0.885   1.029
  154    HA   GLN  20           HA       GLN  20  -7.288  -1.360   1.051
  155   1HB   GLN  20          1HB       GLN  20  -5.723  -2.864   2.118
  156   2HB   GLN  20          2HB       GLN  20  -5.168  -1.593   3.220
  157   1HG   GLN  20          1HG       GLN  20  -7.446  -1.504   4.236
  158   2HG   GLN  20          2HG       GLN  20  -7.984  -2.752   3.100
  159   1HE2  GLN  20          1HE2      GLN  20  -5.336  -3.746   6.167
  160   2HE2  GLN  20          2HE2      GLN  20  -5.349  -2.125   5.507
  161    H    THR  21           H        THR  21  -5.269   0.643   3.276
  162    HA   THR  21           HA       THR  21  -7.622   2.228   4.078
  163    HB   THR  21           HB       THR  21  -6.131   3.135   5.777
  164    HG1  THR  21           HG1      THR  21  -4.002   2.258   5.911
  165   1HG2  THR  21          2HG2      THR  21  -7.262   0.950   6.195
  166   2HG2  THR  21          3HG2      THR  21  -5.805   0.107   5.618
  167   3HG2  THR  21          1HG2      THR  21  -5.727   1.123   7.068
  168    H    TYR  22           H        TYR  22  -7.078   2.584   1.375
  169    HA   TYR  22           HA       TYR  22  -5.385   4.834   0.890
  170   1HB   TYR  22          1HB       TYR  22  -5.762   3.436  -0.927
  171   2HB   TYR  22          2HB       TYR  22  -7.506   3.456  -0.760
  172    HD1  TYR  22           HD1      TYR  22  -4.573   5.685  -1.479
  173    HD2  TYR  22           HD2      TYR  22  -8.821   5.081  -1.916
  174    HE1  TYR  22           HE1      TYR  22  -4.760   7.843  -2.682
  175    HE2  TYR  22           HE2      TYR  22  -8.996   7.209  -3.161
  176    HH   TYR  22           HH       TYR  22  -7.908   9.146  -3.784
  177    HA   PRO  23           HA       PRO  23  -9.553   7.309   0.843
  178   1HB   PRO  23          1HB       PRO  23 -10.985   5.887   3.103
  179   2HB   PRO  23          2HB       PRO  23 -11.671   6.762   1.703
  180   1HG   PRO  23          1HG       PRO  23 -11.527   4.067   1.665
  181   2HG   PRO  23          2HG       PRO  23 -10.998   4.984   0.220
  182   1HD   PRO  23          1HD       PRO  23  -9.267   3.872   2.450
  183   2HD   PRO  23          2HD       PRO  23  -9.091   3.675   0.685
  184    H    ARG  24           H        ARG  24  -8.148   8.852   1.554
  185    HA   ARG  24           HA       ARG  24  -8.170   9.637   4.418
  186   1HB   ARG  24          1HB       ARG  24  -5.691   9.199   2.682
  187   2HB   ARG  24          2HB       ARG  24  -5.717  10.125   4.196
  188   1HG   ARG  24          1HG       ARG  24  -6.401   8.119   5.444
  189   2HG   ARG  24          2HG       ARG  24  -6.488   7.182   3.942
  190   1HD   ARG  24          1HD       ARG  24  -4.438   6.677   5.103
  191   2HD   ARG  24          2HD       ARG  24  -4.089   7.447   3.559
  192    HE   ARG  24           HE       ARG  24  -3.745   8.539   6.303
  193   1HH1  ARG  24          2HH2      ARG  24  -3.398   9.189   2.805
  194   2HH1  ARG  24          1HH2      ARG  24  -2.321  10.537   3.071
  195   1HH2  ARG  24          1HH1      ARG  24  -2.353  10.298   6.583
  196   2HH2  ARG  24          2HH1      ARG  24  -1.736  11.169   5.198
  197    H    THR  25           H        THR  25  -6.512  10.569   1.374
  198    HA   THR  25           HA       THR  25  -7.684  13.269   1.369
  199    HB   THR  25           HB       THR  25  -5.946  11.771  -0.648
  200    HG1  THR  25           HG1      THR  25  -4.355  13.155   0.202
  201   1HG2  THR  25          3HG2      THR  25  -6.769  14.708  -0.496
  202   2HG2  THR  25          1HG2      THR  25  -5.567  14.028  -1.612
  203   3HG2  THR  25          2HG2      THR  25  -7.266  13.550  -1.751
  204    H    ASP  26           H        ASP  26  -7.678  10.308  -0.635
  205    HA   ASP  26           HA       ASP  26  -9.202   9.143  -1.683
  206   1HB   ASP  26          1HB       ASP  26 -10.516   9.505   0.425
  207   2HB   ASP  26          2HB       ASP  26 -11.380  10.816  -0.389
  208    H    VAL  27           H        VAL  27 -10.477   9.036  -3.558
  209    HA   VAL  27           HA       VAL  27 -11.254  11.543  -4.917
  210    HB   VAL  27           HB       VAL  27 -10.373  10.732  -7.056
  211   1HG1  VAL  27          3HG1      VAL  27  -9.036  12.309  -5.710
  212   2HG1  VAL  27          1HG1      VAL  27  -8.158  10.947  -4.981
  213   3HG1  VAL  27          2HG1      VAL  27  -8.032  11.255  -6.721
  214   1HG2  VAL  27          3HG2      VAL  27  -9.003   8.522  -5.461
  215   2HG2  VAL  27          1HG2      VAL  27 -10.302   8.309  -6.650
  216   3HG2  VAL  27          2HG2      VAL  27  -8.721   8.909  -7.167
  217    H    GLY  28           H        GLY  28 -12.721  11.053  -6.779
  218   1HA   GLY  28          2HA       GLY  28 -14.022   8.517  -7.010
  219   2HA   GLY  28          1HA       GLY  28 -14.975   9.614  -5.985
  220    H    ALA  29           H        ALA  29 -16.131   8.778  -8.265
  221    HA   ALA  29           HA       ALA  29 -16.521  11.229  -9.785
  222   1HB   ALA  29          1HB       ALA  29 -14.570  10.253 -10.974
  223   2HB   ALA  29          2HB       ALA  29 -15.454   8.725 -11.170
  224   3HB   ALA  29          3HB       ALA  29 -16.026  10.199 -11.981
  225    H    GLY  30           H        GLY  30 -18.277  10.906 -11.425
  226   1HA   GLY  30          2HA       GLY  30 -19.988   8.613 -11.382
  227   2HA   GLY  30          1HA       GLY  30 -20.606   9.861 -10.277
  228    H    THR  31           H        THR  31 -20.470  12.170 -11.275
  229    HA   THR  31           HA       THR  31 -20.983  12.260 -14.199
  230    HB   THR  31           HB       THR  31 -22.861  13.437 -12.114
  231    HG1  THR  31           HG1      THR  31 -24.296  11.925 -13.013
  232   1HG2  THR  31          3HG2      THR  31 -22.965  13.398 -15.170
  233   2HG2  THR  31          1HG2      THR  31 -24.246  13.997 -14.097
  234   3HG2  THR  31          2HG2      THR  31 -22.692  14.841 -14.172
  235    HA   PRO  32           HA       PRO  32 -17.871  15.302 -12.646
  236   1HB   PRO  32          1HB       PRO  32 -17.217  15.072 -15.593
  237   2HB   PRO  32          2HB       PRO  32 -16.092  15.247 -14.213
  238   1HG   PRO  32          1HG       PRO  32 -16.483  12.808 -15.310
  239   2HG   PRO  32          2HG       PRO  32 -16.507  12.975 -13.526
  240   1HD   PRO  32          1HD       PRO  32 -18.877  12.843 -15.412
  241   2HD   PRO  32          2HD       PRO  32 -18.594  11.960 -13.883
  242   1HN   NH2  33          1H        NH2  33 -18.867  18.475 -13.935
  243   2HN   NH2  33          2H        NH2  33 -17.732  17.591 -12.938
   
  No H/Q in entry =         243
  Start of MODEL    7
    1   1H    CYS   1          1H        CYS   1  17.213  -1.701   3.290
    2   2H    CYS   1          2H        CYS   1  17.976  -1.374   1.865
    3   3H    CYS   1          3H        CYS   1  16.426  -0.864   2.107
    4    HA   CYS   1           HA       CYS   1  15.632  -3.066   2.221
    5   1HB   CYS   1          1HB       CYS   1  15.605  -1.904   0.092
    6   2HB   CYS   1          2HB       CYS   1  17.241  -2.428  -0.276
    7    H    SER   2           H        SER   2  18.776  -3.469   0.564
    8    HA   SER   2           HA       SER   2  20.416  -4.956   0.681
    9   1HB   SER   2          1HB       SER   2  20.875  -3.811   2.764
   10   2HB   SER   2          2HB       SER   2  19.830  -4.910   3.674
   11    HG   SER   2           HG       SER   2  21.213  -6.612   3.031
   12    H    ASN   3           H        ASN   3  18.778  -6.621   3.361
   13    HA   ASN   3           HA       ASN   3  19.020  -9.172   2.056
   14   1HB   ASN   3          1HB       ASN   3  17.546  -8.316   4.585
   15   2HB   ASN   3          2HB       ASN   3  17.807  -9.985   4.061
   16   1HD2  ASN   3          1HD2      ASN   3  20.908  -7.808   5.716
   17   2HD2  ASN   3          2HD2      ASN   3  19.430  -7.020   5.210
   18    H    LEU   4           H        LEU   4  17.699  -9.883   0.495
   19    HA   LEU   4           HA       LEU   4  15.088  -8.661  -0.012
   20   1HB   LEU   4          1HB       LEU   4  16.518 -10.925  -1.445
   21   2HB   LEU   4          2HB       LEU   4  15.114 -10.013  -2.024
   22    HG   LEU   4           HG       LEU   4  17.942  -8.944  -1.589
   23   1HD1  LEU   4          2HD1      LEU   4  17.637 -10.365  -3.584
   24   2HD1  LEU   4          3HD1      LEU   4  16.286  -9.338  -4.114
   25   3HD1  LEU   4          1HD1      LEU   4  17.931  -8.674  -4.026
   26   1HD2  LEU   4          3HD2      LEU   4  15.419  -7.485  -2.496
   27   2HD2  LEU   4          1HD2      LEU   4  16.395  -7.134  -1.049
   28   3HD2  LEU   4          2HD2      LEU   4  17.070  -6.848  -2.654
   29    H    SER   5           H        SER   5  14.635  -9.471   2.291
   30    HA   SER   5           HA       SER   5  12.696 -11.638   2.057
   31   1HB   SER   5          1HB       SER   5  13.537 -12.769   4.130
   32   2HB   SER   5          2HB       SER   5  14.605 -12.953   2.729
   33    HG   SER   5           HG       SER   5  14.951 -11.247   4.955
   34    H    THR   6           H        THR   6  14.435  -9.642   4.497
   35    HA   THR   6           HA       THR   6  12.105  -8.766   5.906
   36    HB   THR   6           HB       THR   6  14.872  -7.499   5.643
   37    HG1  THR   6           HG1      THR   6  13.814  -9.348   7.512
   38   1HG2  THR   6          3HG2      THR   6  12.703  -7.185   7.771
   39   2HG2  THR   6          1HG2      THR   6  14.354  -6.536   7.877
   40   3HG2  THR   6          2HG2      THR   6  13.245  -5.926   6.637
   41    H    CYS   7           H        CYS   7  14.079  -7.379   3.247
   42    HA   CYS   7           HA       CYS   7  12.762  -4.907   2.980
   43   1HB   CYS   7          1HB       CYS   7  14.927  -5.412   2.018
   44   2HB   CYS   7          2HB       CYS   7  14.221  -6.622   0.944
   45    H    VAL   8           H        VAL   8  12.243  -7.967   1.112
   46    HA   VAL   8           HA       VAL   8  10.152  -6.891  -0.463
   47    HB   VAL   8           HB       VAL   8   9.747  -9.213  -1.159
   48   1HG1  VAL   8          2HG1      VAL   8  11.511  -7.821  -2.210
   49   2HG1  VAL   8          3HG1      VAL   8  12.700  -8.460  -1.054
   50   3HG1  VAL   8          1HG1      VAL   8  11.923  -9.544  -2.222
   51   1HG2  VAL   8          2HG2      VAL   8  11.873  -9.950   0.848
   52   2HG2  VAL   8          3HG2      VAL   8  10.170 -10.460   0.906
   53   3HG2  VAL   8          1HG2      VAL   8  11.221 -11.025  -0.399
   54    H    LEU   9           H        LEU   9  10.023  -8.802   2.592
   55    HA   LEU   9           HA       LEU   9   7.177  -9.018   2.692
   56   1HB   LEU   9          1HB       LEU   9   9.321  -8.969   4.839
   57   2HB   LEU   9          2HB       LEU   9   7.613  -9.206   5.211
   58    HG   LEU   9           HG       LEU   9   9.132 -11.032   3.303
   59   1HD1  LEU   9          2HD1      LEU   9  10.133 -11.099   5.586
   60   2HD1  LEU   9          3HD1      LEU   9   8.526 -11.408   6.270
   61   3HD1  LEU   9          1HD1      LEU   9   9.283 -12.602   5.194
   62   1HD2  LEU   9          3HD2      LEU   9   6.467 -11.319   4.763
   63   2HD2  LEU   9          1HD2      LEU   9   6.690 -11.143   3.009
   64   3HD2  LEU   9          2HD2      LEU   9   7.267 -12.596   3.825
   65    H    GLY  10           H        GLY  10   9.440  -6.534   3.961
   66   1HA   GLY  10          2HA       GLY  10   7.577  -4.823   5.194
   67   2HA   GLY  10          1HA       GLY  10   9.129  -4.346   4.483
   68    H    LYS  11           H        LYS  11   8.755  -4.923   1.797
   69    HA   LYS  11           HA       LYS  11   7.455  -2.587   0.913
   70   1HB   LYS  11          1HB       LYS  11   9.377  -3.665  -0.157
   71   2HB   LYS  11          2HB       LYS  11   8.369  -5.002  -0.716
   72   1HG   LYS  11          1HG       LYS  11   7.656  -2.129  -1.412
   73   2HG   LYS  11          2HG       LYS  11   8.964  -2.959  -2.263
   74   1HD   LYS  11          1HD       LYS  11   7.457  -4.726  -3.023
   75   2HD   LYS  11          2HD       LYS  11   6.106  -4.016  -2.132
   76   1HE   LYS  11          1HE       LYS  11   5.906  -3.393  -4.441
   77   2HE   LYS  11          2HE       LYS  11   6.271  -1.948  -3.483
   78   1HZ   LYS  11          3HZ       LYS  11   8.207  -3.504  -5.051
   79   2HZ   LYS  11          1HZ       LYS  11   7.542  -2.062  -5.497
   80   3HZ   LYS  11          2HZ       LYS  11   8.542  -2.138  -4.190
   81    H    LEU  12           H        LEU  12   6.462  -6.062   0.507
   82    HA   LEU  12           HA       LEU  12   4.069  -5.339  -0.860
   83   1HB   LEU  12          1HB       LEU  12   3.467  -7.632  -0.832
   84   2HB   LEU  12          2HB       LEU  12   5.178  -7.433  -1.189
   85    HG   LEU  12           HG       LEU  12   5.454  -7.913   1.423
   86   1HD1  LEU  12          2HD2      LEU  12   2.987  -8.095   1.913
   87   2HD1  LEU  12          3HD2      LEU  12   2.879  -9.408   0.732
   88   3HD1  LEU  12          1HD2      LEU  12   3.844  -9.609   2.207
   89   1HD2  LEU  12          2HD1      LEU  12   4.858 -10.056  -0.658
   90   2HD2  LEU  12          3HD1      LEU  12   6.423  -9.256  -0.409
   91   3HD2  LEU  12          1HD1      LEU  12   5.756 -10.303   0.853
   92    H    SER  13           H        SER  13   4.733  -5.914   2.612
   93    HA   SER  13           HA       SER  13   2.013  -5.889   3.476
   94   1HB   SER  13          1HB       SER  13   4.582  -5.090   4.906
   95   2HB   SER  13          2HB       SER  13   2.996  -5.272   5.684
   96    HG   SER  13           HG       SER  13   4.275  -7.170   5.798
   97    H    GLN  14           H        GLN  14   4.459  -3.273   3.172
   98    HA   GLN  14           HA       GLN  14   2.870  -1.087   3.966
   99   1HB   GLN  14          1HB       GLN  14   5.238  -0.939   3.785
  100   2HB   GLN  14          2HB       GLN  14   5.239  -1.341   2.073
  101   1HG   GLN  14          1HG       GLN  14   3.922   1.162   3.216
  102   2HG   GLN  14          2HG       GLN  14   5.610   1.100   2.698
  103   1HE2  GLN  14          1HE2      GLN  14   4.743   0.610  -0.852
  104   2HE2  GLN  14          2HE2      GLN  14   5.761  -0.147   0.354
  105    H    GLU  15           H        GLU  15   3.359  -2.530   0.705
  106    HA   GLU  15           HA       GLU  15   1.883  -0.592  -0.699
  107   1HB   GLU  15          1HB       GLU  15   3.554  -2.149  -1.678
  108   2HB   GLU  15          2HB       GLU  15   2.440  -3.500  -1.428
  109   1HG   GLU  15          1HG       GLU  15   2.369  -2.746  -3.744
  110   2HG   GLU  15          2HG       GLU  15   0.809  -2.444  -2.976
  111    H    LEU  16           H        LEU  16   0.893  -3.833   0.517
  112    HA   LEU  16           HA       LEU  16  -1.795  -3.736  -0.414
  113   1HB   LEU  16          1HB       LEU  16  -0.451  -5.219   1.872
  114   2HB   LEU  16          2HB       LEU  16  -2.133  -5.493   1.411
  115    HG   LEU  16           HG       LEU  16   0.162  -5.830  -0.568
  116   1HD1  LEU  16          1HD1      LEU  16   0.485  -7.357   1.357
  117   2HD1  LEU  16          2HD1      LEU  16  -1.182  -7.940   1.174
  118   3HD1  LEU  16          3HD1      LEU  16   0.016  -8.243  -0.104
  119   1HD2  LEU  16          2HD2      LEU  16  -2.721  -6.826  -0.551
  120   2HD2  LEU  16          3HD2      LEU  16  -2.052  -5.580  -1.625
  121   3HD2  LEU  16          1HD2      LEU  16  -1.490  -7.249  -1.757
  122    H    HIS  17           H        HIS  17  -0.301  -2.663   2.675
  123    HA   HIS  17           HA       HIS  17  -2.759  -1.951   3.945
  124   1HB   HIS  17          1HB       HIS  17  -0.683  -2.361   5.166
  125   2HB   HIS  17          2HB       HIS  17   0.077  -0.958   4.400
  126    HD1  HIS  17           HD1      HIS  17  -0.403   1.346   5.394
  127    HD2  HIS  17           HD2      HIS  17  -2.831  -1.664   7.011
  128    HE1  HIS  17           HE1      HIS  17  -1.675   2.363   7.346
  129    H    LYS  18           H        LYS  18  -0.504  -0.159   1.825
  130    HA   LYS  18           HA       LYS  18  -1.644   2.417   2.197
  131   1HB   LYS  18          1HB       LYS  18   0.603   2.099   1.342
  132   2HB   LYS  18          2HB       LYS  18   0.002   1.208  -0.059
  133   1HG   LYS  18          1HG       LYS  18   0.635   3.429  -0.703
  134   2HG   LYS  18          2HG       LYS  18  -1.109   3.248  -0.910
  135   1HD   LYS  18          1HD       LYS  18  -1.503   4.464   1.214
  136   2HD   LYS  18          2HD       LYS  18   0.246   4.598   1.480
  137   1HE   LYS  18          1HE       LYS  18  -1.282   5.779  -0.888
  138   2HE   LYS  18          2HE       LYS  18  -0.802   6.672   0.567
  139   1HZ   LYS  18          2HZ       LYS  18   1.473   6.191   0.046
  140   2HZ   LYS  18          3HZ       LYS  18   1.032   5.396  -1.330
  141   3HZ   LYS  18          1HZ       LYS  18   0.740   7.011  -1.183
  142    H    LEU  19           H        LEU  19  -2.119  -0.093  -0.345
  143    HA   LEU  19           HA       LEU  19  -4.202   1.337  -1.733
  144   1HB   LEU  19          1HB       LEU  19  -3.362  -1.592  -1.713
  145   2HB   LEU  19          2HB       LEU  19  -4.560  -0.915  -2.824
  146    HG   LEU  19           HG       LEU  19  -1.680   0.057  -2.637
  147   1HD1  LEU  19          3HD1      LEU  19  -1.756  -2.312  -3.312
  148   2HD1  LEU  19          1HD1      LEU  19  -2.940  -1.923  -4.579
  149   3HD1  LEU  19          2HD1      LEU  19  -1.286  -1.279  -4.673
  150   1HD2  LEU  19          1HD2      LEU  19  -3.859   0.489  -4.731
  151   2HD2  LEU  19          2HD2      LEU  19  -3.170   1.730  -3.660
  152   3HD2  LEU  19          3HD2      LEU  19  -2.163   0.984  -4.903
  153    H    GLN  20           H        GLN  20  -4.548  -1.816  -0.117
  154    HA   GLN  20           HA       GLN  20  -6.053  -2.756   1.196
  155   1HB   GLN  20          1HB       GLN  20  -5.088  -1.126   2.709
  156   2HB   GLN  20          2HB       GLN  20  -6.358   0.049   2.348
  157   1HG   GLN  20          1HG       GLN  20  -8.053  -1.546   3.240
  158   2HG   GLN  20          2HG       GLN  20  -6.766  -2.717   3.576
  159   1HE2  GLN  20          1HE2      GLN  20  -5.338  -0.751   6.303
  160   2HE2  GLN  20          2HE2      GLN  20  -4.849  -1.720   4.930
  161    H    THR  21           H        THR  21  -7.866   0.310   0.968
  162    HA   THR  21           HA       THR  21 -10.287  -1.090   0.056
  163    HB   THR  21           HB       THR  21  -9.732   1.845   0.670
  164    HG1  THR  21           HG1      THR  21 -10.965  -0.212   2.179
  165   1HG2  THR  21          3HG2      THR  21 -12.354   0.335   0.249
  166   2HG2  THR  21          1HG2      THR  21 -12.204   2.016   0.803
  167   3HG2  THR  21          2HG2      THR  21 -11.685   1.578  -0.832
  168    H    TYR  22           H        TYR  22  -7.994   1.426  -1.035
  169    HA   TYR  22           HA       TYR  22  -7.757   2.591  -2.935
  170   1HB   TYR  22          1HB       TYR  22  -7.104   1.277  -4.872
  171   2HB   TYR  22          2HB       TYR  22  -6.328   0.813  -3.372
  172    HD1  TYR  22           HD1      TYR  22  -6.906  -1.330  -2.227
  173    HD2  TYR  22           HD2      TYR  22  -8.340  -0.359  -6.172
  174    HE1  TYR  22           HE1      TYR  22  -7.472  -3.710  -2.605
  175    HE2  TYR  22           HE2      TYR  22  -8.926  -2.733  -6.541
  176    HH   TYR  22           HH       TYR  22  -8.961  -4.858  -5.658
  177    HA   PRO  23           HA       PRO  23 -12.268   2.737  -3.873
  178   1HB   PRO  23          1HB       PRO  23 -11.478   5.655  -3.962
  179   2HB   PRO  23          2HB       PRO  23 -12.987   4.928  -3.336
  180   1HG   PRO  23          1HG       PRO  23 -11.051   5.681  -1.609
  181   2HG   PRO  23          2HG       PRO  23 -11.846   4.091  -1.400
  182   1HD   PRO  23          2HD       PRO  23  -9.176   4.677  -2.708
  183   2HD   PRO  23          1HD       PRO  23  -9.596   3.429  -1.501
  184    H    ARG  24           H        ARG  24 -13.356   3.162  -5.813
  185    HA   ARG  24           HA       ARG  24 -11.814   3.444  -8.280
  186   1HB   ARG  24          1HB       ARG  24 -13.745   1.890  -7.976
  187   2HB   ARG  24          2HB       ARG  24 -14.818   3.281  -7.784
  188   1HG   ARG  24          1HG       ARG  24 -14.025   4.051 -10.110
  189   2HG   ARG  24          2HG       ARG  24 -13.197   2.493 -10.249
  190   1HD   ARG  24          1HD       ARG  24 -16.184   2.928  -9.799
  191   2HD   ARG  24          2HD       ARG  24 -15.419   2.485 -11.337
  192    HE   ARG  24           HE       ARG  24 -14.637   0.554  -9.450
  193   1HH1  ARG  24          2HH2      ARG  24 -17.642   1.638 -11.018
  194   2HH1  ARG  24          1HH2      ARG  24 -18.414   0.077 -10.868
  195   1HH2  ARG  24          1HH1      ARG  24 -15.679  -1.466  -9.260
  196   2HH2  ARG  24          2HH1      ARG  24 -17.303  -1.683  -9.873
  197    H    THR  25           H        THR  25 -10.944   5.558  -7.573
  198    HA   THR  25           HA       THR  25 -10.803   7.784  -7.418
  199    HB   THR  25           HB       THR  25 -11.753   9.085  -9.266
  200    HG1  THR  25           HG1      THR  25 -12.966   7.986 -10.840
  201   1HG2  THR  25          1HG2      THR  25  -9.671   7.773  -9.575
  202   2HG2  THR  25          2HG2      THR  25 -10.630   6.394 -10.160
  203   3HG2  THR  25          3HG2      THR  25 -10.607   7.913 -11.075
  204    H    ASP  26           H        ASP  26 -11.721   7.678  -5.313
  205    HA   ASP  26           HA       ASP  26 -12.810   8.679  -3.652
  206   1HB   ASP  26          1HB       ASP  26 -14.614  10.134  -5.625
  207   2HB   ASP  26          2HB       ASP  26 -14.368  10.477  -3.920
  208    H    VAL  27           H        VAL  27 -15.247   7.865  -6.164
  209    HA   VAL  27           HA       VAL  27 -17.205   6.735  -4.429
  210    HB   VAL  27           HB       VAL  27 -16.511   6.216  -7.358
  211   1HG1  VAL  27          2HG1      VAL  27 -17.888   4.354  -6.454
  212   2HG1  VAL  27          3HG1      VAL  27 -19.088   5.536  -5.889
  213   3HG1  VAL  27          1HG1      VAL  27 -18.769   5.343  -7.621
  214   1HG2  VAL  27          3HG2      VAL  27 -18.599   8.029  -6.070
  215   2HG2  VAL  27          1HG2      VAL  27 -17.138   8.567  -6.926
  216   3HG2  VAL  27          2HG2      VAL  27 -18.421   7.735  -7.812
  217    H    GLY  28           H        GLY  28 -17.405   4.625  -3.618
  218   1HA   GLY  28          2HA       GLY  28 -15.071   3.221  -2.978
  219   2HA   GLY  28          1HA       GLY  28 -16.722   2.601  -2.827
  220    H    ALA  29           H        ALA  29 -17.739   1.905  -5.000
  221    HA   ALA  29           HA       ALA  29 -15.981   1.008  -7.125
  222   1HB   ALA  29          2HB       ALA  29 -17.197  -1.063  -5.240
  223   2HB   ALA  29          3HB       ALA  29 -16.438  -1.416  -6.808
  224   3HB   ALA  29          1HB       ALA  29 -15.467  -0.754  -5.485
  225    H    GLY  30           H        GLY  30 -17.679   2.639  -7.809
  226   1HA   GLY  30          2HA       GLY  30 -19.549   2.992  -9.143
  227   2HA   GLY  30          1HA       GLY  30 -20.131   1.348  -8.833
  228    H    THR  31           H        THR  31 -20.394   1.026  -6.253
  229    HA   THR  31           HA       THR  31 -22.374   2.862  -5.245
  230    HB   THR  31           HB       THR  31 -20.851   0.578  -3.917
  231    HG1  THR  31           HG1      THR  31 -22.740  -0.571  -4.447
  232   1HG2  THR  31          3HG2      THR  31 -21.937   2.067  -2.241
  233   2HG2  THR  31          1HG2      THR  31 -23.479   1.909  -3.116
  234   3HG2  THR  31          2HG2      THR  31 -22.741   0.493  -2.344
  235    HA   PRO  32           HA       PRO  32 -19.187   5.596  -3.582
  236   1HB   PRO  32          1HB       PRO  32 -20.662   7.236  -1.981
  237   2HB   PRO  32          2HB       PRO  32 -20.757   7.270  -3.766
  238   1HG   PRO  32          1HG       PRO  32 -22.596   5.801  -1.857
  239   2HG   PRO  32          2HG       PRO  32 -23.057   6.902  -3.189
  240   1HD   PRO  32          1HD       PRO  32 -23.032   4.213  -3.515
  241   2HD   PRO  32          2HD       PRO  32 -22.471   5.285  -4.833
  242   1HN   NH2  33          1HN       NH2  33 -18.107   4.712  -0.339
  243   2HN   NH2  33          2HN       NH2  33 -17.798   5.589  -1.822
   
  No H/Q in entry =         243
  Start of MODEL    8
    1   1H    CYS   1          2H        CYS   1  19.377  -1.824   0.868
    2   2H    CYS   1          3H        CYS   1  18.406  -2.178  -0.417
    3   3H    CYS   1          1H        CYS   1  17.802  -1.332   0.863
    4    HA   CYS   1           HA       CYS   1  18.070  -3.179   2.313
    5   1HB   CYS   1          1HB       CYS   1  16.469  -3.678  -0.207
    6   2HB   CYS   1          2HB       CYS   1  16.434  -4.731   1.215
    7    H    SER   2           H        SER   2  19.836  -4.362   2.725
    8    HA   SER   2           HA       SER   2  21.178  -6.050   0.767
    9   1HB   SER   2          1HB       SER   2  22.394  -5.058   2.658
   10   2HB   SER   2          2HB       SER   2  21.351  -5.917   3.811
   11    HG   SER   2           HG       SER   2  23.313  -7.015   3.403
   12    H    ASN   3           H        ASN   3  19.043  -6.535   3.620
   13    HA   ASN   3           HA       ASN   3  18.613  -9.368   3.066
   14   1HB   ASN   3          1HB       ASN   3  17.364  -7.456   5.078
   15   2HB   ASN   3          2HB       ASN   3  17.124  -9.212   5.037
   16   1HD2  ASN   3          1HD2      ASN   3  20.442 -10.005   6.223
   17   2HD2  ASN   3          2HD2      ASN   3  19.161 -10.581   5.180
   18    H    LEU   4           H        LEU   4  17.820  -9.127   0.889
   19    HA   LEU   4           HA       LEU   4  15.234  -7.882   0.370
   20   1HB   LEU   4          1HB       LEU   4  16.983  -9.776  -1.244
   21   2HB   LEU   4          2HB       LEU   4  15.512  -9.005  -1.855
   22    HG   LEU   4           HG       LEU   4  17.960  -7.468  -0.874
   23   1HD1  LEU   4          2HD1      LEU   4  18.500  -8.825  -2.856
   24   2HD1  LEU   4          3HD1      LEU   4  17.091  -8.158  -3.709
   25   3HD1  LEU   4          1HD1      LEU   4  18.446  -7.100  -3.258
   26   1HD2  LEU   4          3HD2      LEU   4  15.479  -6.603  -2.437
   27   2HD2  LEU   4          1HD2      LEU   4  15.894  -6.114  -0.781
   28   3HD2  LEU   4          2HD2      LEU   4  16.901  -5.586  -2.132
   29    H    SER   5           H        SER   5  14.296  -8.963   2.251
   30    HA   SER   5           HA       SER   5  12.689 -11.265   1.566
   31   1HB   SER   5          1HB       SER   5  13.546 -12.649   3.500
   32   2HB   SER   5          2HB       SER   5  14.666 -12.539   2.133
   33    HG   SER   5           HG       SER   5  15.702 -12.206   4.135
   34    H    THR   6           H        THR   6  14.117  -9.726   4.483
   35    HA   THR   6           HA       THR   6  11.620  -9.262   5.834
   36    HB   THR   6           HB       THR   6  13.020  -7.734   7.235
   37    HG1  THR   6           HG1      THR   6  15.258  -7.703   6.770
   38   1HG2  THR   6          2HG2      THR   6  12.898 -10.163   7.736
   39   2HG2  THR   6          3HG2      THR   6  14.312 -10.448   6.696
   40   3HG2  THR   6          1HG2      THR   6  14.473  -9.470   8.167
   41    H    CYS   7           H        CYS   7  13.787  -7.259   3.792
   42    HA   CYS   7           HA       CYS   7  12.220  -4.883   3.817
   43   1HB   CYS   7          1HB       CYS   7  14.558  -4.908   3.227
   44   2HB   CYS   7          2HB       CYS   7  14.256  -5.967   1.846
   45    H    VAL   8           H        VAL   8  12.279  -7.719   1.598
   46    HA   VAL   8           HA       VAL   8  10.460  -6.703  -0.324
   47    HB   VAL   8           HB       VAL   8  11.169  -9.542   0.502
   48   1HG1  VAL   8          3HG1      VAL   8   9.543  -8.568  -1.888
   49   2HG1  VAL   8          1HG1      VAL   8  10.225 -10.200  -1.721
   50   3HG1  VAL   8          2HG1      VAL   8   8.985  -9.650  -0.591
   51   1HG2  VAL   8          3HG2      VAL   8  13.006  -8.137  -0.476
   52   2HG2  VAL   8          1HG2      VAL   8  12.550  -9.486  -1.527
   53   3HG2  VAL   8          2HG2      VAL   8  11.993  -7.842  -1.898
   54    H    LEU   9           H        LEU   9   9.853  -8.847   2.524
   55    HA   LEU   9           HA       LEU   9   7.030  -8.910   2.303
   56   1HB   LEU   9          1HB       LEU   9   8.909  -9.146   4.675
   57   2HB   LEU   9          2HB       LEU   9   7.168  -9.408   4.810
   58    HG   LEU   9           HG       LEU   9   8.895 -10.997   2.864
   59   1HD1  LEU   9          3HD1      LEU   9   9.712 -11.344   5.176
   60   2HD1  LEU   9          1HD1      LEU   9   8.058 -11.716   5.706
   61   3HD1  LEU   9          2HD1      LEU   9   8.890 -12.787   4.558
   62   1HD2  LEU   9          3HD2      LEU   9   6.120 -11.475   4.040
   63   2HD2  LEU   9          1HD2      LEU   9   6.482 -11.057   2.352
   64   3HD2  LEU   9          2HD2      LEU   9   7.012 -12.608   3.006
   65    H    GLY  10           H        GLY  10   9.189  -6.552   3.910
   66   1HA   GLY  10          1HA       GLY  10   7.265  -4.974   5.226
   67   2HA   GLY  10          2HA       GLY  10   8.840  -4.431   4.626
   68    H    LYS  11           H        LYS  11   8.649  -4.651   1.915
   69    HA   LYS  11           HA       LYS  11   7.213  -2.327   1.136
   70   1HB   LYS  11          1HB       LYS  11   8.566  -4.560  -0.408
   71   2HB   LYS  11          2HB       LYS  11   7.814  -3.153  -1.188
   72   1HG   LYS  11          1HG       LYS  11   9.308  -1.618  -0.177
   73   2HG   LYS  11          2HG       LYS  11   9.887  -2.799   0.997
   74   1HD   LYS  11          1HD       LYS  11  11.556  -2.391  -0.694
   75   2HD   LYS  11          2HD       LYS  11  11.037  -4.078  -0.748
   76   1HE   LYS  11          1HE       LYS  11   9.836  -1.980  -2.606
   77   2HE   LYS  11          2HE       LYS  11  11.379  -2.769  -2.969
   78   1HZ   LYS  11          2HZ       LYS  11  10.306  -4.874  -2.876
   79   2HZ   LYS  11          3HZ       LYS  11   8.844  -4.176  -2.580
   80   3HZ   LYS  11          1HZ       LYS  11   9.610  -3.902  -4.010
   81    H    LEU  12           H        LEU  12   6.509  -5.830   0.664
   82    HA   LEU  12           HA       LEU  12   4.170  -5.471  -0.915
   83   1HB   LEU  12          1HB       LEU  12   5.070  -7.718   0.924
   84   2HB   LEU  12          2HB       LEU  12   3.651  -7.834  -0.122
   85    HG   LEU  12           HG       LEU  12   6.437  -7.239  -1.196
   86   1HD1  LEU  12          2HD1      LEU  12   6.440  -9.426  -0.050
   87   2HD1  LEU  12          3HD1      LEU  12   5.001  -9.918  -0.968
   88   3HD1  LEU  12          1HD1      LEU  12   6.542  -9.630  -1.807
   89   1HD2  LEU  12          2HD2      LEU  12   3.873  -8.210  -2.536
   90   2HD2  LEU  12          3HD2      LEU  12   4.630  -6.617  -2.753
   91   3HD2  LEU  12          1HD2      LEU  12   5.455  -8.068  -3.328
   92    H    SER  13           H        SER  13   4.515  -6.059   2.624
   93    HA   SER  13           HA       SER  13   1.758  -5.936   3.223
   94   1HB   SER  13          1HB       SER  13   2.468  -5.604   5.545
   95   2HB   SER  13          2HB       SER  13   3.402  -6.882   4.747
   96    HG   SER  13           HG       SER  13   4.234  -4.198   5.150
   97    H    GLN  14           H        GLN  14   4.220  -3.336   3.101
   98    HA   GLN  14           HA       GLN  14   2.611  -1.213   4.052
   99   1HB   GLN  14          1HB       GLN  14   5.041  -1.122   3.885
  100   2HB   GLN  14          2HB       GLN  14   4.957  -1.210   2.114
  101   1HG   GLN  14          1HG       GLN  14   3.756   0.961   2.064
  102   2HG   GLN  14          2HG       GLN  14   3.784   1.015   3.837
  103   1HE2  GLN  14          1HE2      GLN  14   6.541   3.209   2.901
  104   2HE2  GLN  14          2HE2      GLN  14   4.793   3.195   3.000
  105    H    GLU  15           H        GLU  15   3.221  -2.394   0.699
  106    HA   GLU  15           HA       GLU  15   1.671  -0.443  -0.637
  107   1HB   GLU  15          1HB       GLU  15   3.371  -1.844  -1.706
  108   2HB   GLU  15          2HB       GLU  15   2.378  -3.290  -1.455
  109   1HG   GLU  15          1HG       GLU  15   0.617  -2.348  -2.916
  110   2HG   GLU  15          2HG       GLU  15   1.554  -0.855  -3.101
  111    H    LEU  16           H        LEU  16   0.823  -3.755   0.481
  112    HA   LEU  16           HA       LEU  16  -1.843  -3.788  -0.476
  113   1HB   LEU  16          1HB       LEU  16  -0.453  -5.227   1.808
  114   2HB   LEU  16          2HB       LEU  16  -2.107  -5.598   1.313
  115    HG   LEU  16           HG       LEU  16   0.227  -5.738  -0.644
  116   1HD1  LEU  16          3HD1      LEU  16   0.671  -7.266   1.246
  117   2HD1  LEU  16          1HD1      LEU  16  -0.952  -7.966   1.068
  118   3HD1  LEU  16          2HD1      LEU  16   0.255  -8.166  -0.221
  119   1HD2  LEU  16          3HD2      LEU  16  -2.567  -6.962  -0.658
  120   2HD2  LEU  16          1HD2      LEU  16  -2.002  -5.639  -1.701
  121   3HD2  LEU  16          2HD2      LEU  16  -1.304  -7.253  -1.870
  122    H    HIS  17           H        HIS  17  -0.488  -2.670   2.658
  123    HA   HIS  17           HA       HIS  17  -3.005  -2.091   3.887
  124   1HB   HIS  17          1HB       HIS  17  -0.973  -2.351   5.180
  125   2HB   HIS  17          2HB       HIS  17  -0.208  -0.992   4.347
  126    HD1  HIS  17           HD1      HIS  17  -0.811   1.394   5.087
  127    HD2  HIS  17           HD2      HIS  17  -3.033  -1.569   7.052
  128    HE1  HIS  17           HE1      HIS  17  -2.066   2.523   6.988
  129    H    LYS  18           H        LYS  18  -0.672  -0.068   2.064
  130    HA   LYS  18           HA       LYS  18  -1.926   2.412   2.327
  131   1HB   LYS  18          1HB       LYS  18   0.382   2.008   1.549
  132   2HB   LYS  18          2HB       LYS  18  -0.249   1.346   0.030
  133   1HG   LYS  18          1HG       LYS  18  -1.271   3.575  -0.480
  134   2HG   LYS  18          2HG       LYS  18  -0.689   4.175   1.076
  135   1HD   LYS  18          1HD       LYS  18   0.817   4.922  -0.665
  136   2HD   LYS  18          2HD       LYS  18   1.652   3.787   0.393
  137   1HE   LYS  18          1HE       LYS  18   2.177   3.455  -2.010
  138   2HE   LYS  18          2HE       LYS  18   1.471   2.009  -1.285
  139   1HZ   LYS  18          3HZ       LYS  18   0.014   3.993  -2.887
  140   2HZ   LYS  18          1HZ       LYS  18   0.550   2.528  -3.432
  141   3HZ   LYS  18          2HZ       LYS  18  -0.613   2.599  -2.267
  142    H    LEU  19           H        LEU  19  -2.277  -0.065  -0.255
  143    HA   LEU  19           HA       LEU  19  -4.423   1.396  -1.605
  144   1HB   LEU  19          1HB       LEU  19  -3.279  -1.392  -2.012
  145   2HB   LEU  19          2HB       LEU  19  -4.481  -0.613  -3.054
  146    HG   LEU  19           HG       LEU  19  -1.639   0.384  -2.533
  147   1HD1  LEU  19          3HD1      LEU  19  -1.716  -1.733  -3.799
  148   2HD1  LEU  19          1HD1      LEU  19  -2.838  -0.999  -4.965
  149   3HD1  LEU  19          2HD1      LEU  19  -1.176  -0.386  -4.816
  150   1HD2  LEU  19          3HD2      LEU  19  -3.774   1.372  -4.478
  151   2HD2  LEU  19          1HD2      LEU  19  -3.073   2.286  -3.121
  152   3HD2  LEU  19          2HD2      LEU  19  -2.069   1.859  -4.507
  153    H    GLN  20           H        GLN  20  -4.626  -2.027  -0.767
  154    HA   GLN  20           HA       GLN  20  -6.009  -3.275   0.405
  155   1HB   GLN  20          1HB       GLN  20  -5.502  -1.703   2.276
  156   2HB   GLN  20          2HB       GLN  20  -6.982  -0.807   1.904
  157   1HG   GLN  20          1HG       GLN  20  -8.323  -2.851   2.294
  158   2HG   GLN  20          2HG       GLN  20  -6.838  -3.763   2.613
  159   1HE2  GLN  20          1HE2      GLN  20  -8.223  -1.006   5.402
  160   2HE2  GLN  20          2HE2      GLN  20  -8.695  -0.877   3.722
  161    H    THR  21           H        THR  21  -7.974  -0.289   0.010
  162    HA   THR  21           HA       THR  21 -10.232  -1.890  -0.999
  163    HB   THR  21           HB       THR  21 -10.460  -0.227   0.838
  164    HG1  THR  21           HG1      THR  21 -12.342   0.722  -0.094
  165   1HG2  THR  21          2HG2      THR  21  -8.939   1.561  -0.029
  166   2HG2  THR  21          3HG2      THR  21 -10.101   1.885  -1.336
  167   3HG2  THR  21          1HG2      THR  21 -10.563   2.154   0.350
  168    H    TYR  22           H        TYR  22  -7.670  -1.208  -2.630
  169    HA   TYR  22           HA       TYR  22  -6.960  -0.277  -4.529
  170   1HB   TYR  22          1HB       TYR  22  -8.237  -0.789  -6.551
  171   2HB   TYR  22          2HB       TYR  22  -7.917  -2.141  -5.483
  172    HD1  TYR  22           HD2      TYR  22  -9.713  -3.258  -4.209
  173    HD2  TYR  22           HD1      TYR  22 -10.549  -0.165  -7.099
  174    HE1  TYR  22           HE2      TYR  22 -12.089  -3.947  -4.268
  175    HE2  TYR  22           HE1      TYR  22 -12.932  -0.818  -7.106
  176    HH   TYR  22           HH       TYR  22 -14.190  -3.506  -5.096
  177    HA   PRO  23           HA       PRO  23  -9.505   3.478  -3.696
  178   1HB   PRO  23          1HB       PRO  23  -7.732   5.070  -2.400
  179   2HB   PRO  23          2HB       PRO  23  -8.505   3.679  -1.599
  180   1HG   PRO  23          1HG       PRO  23  -5.787   3.706  -2.973
  181   2HG   PRO  23          2HG       PRO  23  -6.155   3.195  -1.294
  182   1HD   PRO  23          2HD       PRO  23  -6.016   1.403  -3.325
  183   2HD   PRO  23          1HD       PRO  23  -7.298   1.270  -2.080
  184    H    ARG  24           H        ARG  24  -9.321   5.748  -4.269
  185    HA   ARG  24           HA       ARG  24  -8.262   6.271  -6.874
  186   1HB   ARG  24          1HB       ARG  24  -9.211   8.491  -6.544
  187   2HB   ARG  24          2HB       ARG  24 -10.333   7.235  -6.002
  188   1HG   ARG  24          1HG       ARG  24  -9.400   7.653  -3.622
  189   2HG   ARG  24          2HG       ARG  24  -8.646   9.107  -4.293
  190   1HD   ARG  24          1HD       ARG  24 -10.795  10.025  -4.902
  191   2HD   ARG  24          2HD       ARG  24 -11.631   8.523  -4.491
  192    HE   ARG  24           HE       ARG  24 -10.765  10.620  -2.683
  193   1HH1  ARG  24          2HH2      ARG  24 -11.496   7.142  -2.881
  194   2HH1  ARG  24          1HH2      ARG  24 -11.739   6.980  -1.160
  195   1HH2  ARG  24          1HH1      ARG  24 -11.131  10.376  -0.435
  196   2HH2  ARG  24          2HH1      ARG  24 -11.567   8.815   0.220
  197    H    THR  25           H        THR  25  -7.162   7.003  -3.564
  198    HA   THR  25           HA       THR  25  -4.527   7.875  -4.597
  199    HB   THR  25           HB       THR  25  -5.946   9.896  -4.166
  200    HG1  THR  25           HG1      THR  25  -3.686   9.913  -3.899
  201   1HG2  THR  25          1HG2      THR  25  -7.312   9.007  -2.265
  202   2HG2  THR  25          2HG2      THR  25  -5.862   9.014  -1.240
  203   3HG2  THR  25          3HG2      THR  25  -6.506  10.535  -1.879
  204    H    ASP  26           H        ASP  26  -3.016   8.113  -2.571
  205    HA   ASP  26           HA       ASP  26  -2.777   5.539  -1.387
  206   1HB   ASP  26          1HB       ASP  26  -1.497   8.183  -0.581
  207   2HB   ASP  26          2HB       ASP  26  -0.952   6.572  -0.091
  208    H    VAL  27           H        VAL  27  -4.193   4.740   0.026
  209    HA   VAL  27           HA       VAL  27  -5.765   4.514   1.584
  210    HB   VAL  27           HB       VAL  27  -4.382   6.743   3.137
  211   1HG1  VAL  27          1HG1      VAL  27  -6.066   4.351   4.021
  212   2HG1  VAL  27          2HG1      VAL  27  -5.258   5.507   5.096
  213   3HG1  VAL  27          3HG1      VAL  27  -6.593   6.042   4.074
  214   1HG2  VAL  27          2HG2      VAL  27  -3.806   3.751   3.091
  215   2HG2  VAL  27          3HG2      VAL  27  -2.714   5.024   2.497
  216   3HG2  VAL  27          1HG2      VAL  27  -3.100   4.925   4.217
  217    H    GLY  28           H        GLY  28  -6.957   5.432  -0.352
  218   1HA   GLY  28          2HA       GLY  28  -8.256   8.056   0.053
  219   2HA   GLY  28          1HA       GLY  28  -8.487   6.925  -1.283
  220    H    ALA  29           H        ALA  29  -9.306   7.629   2.077
  221    HA   ALA  29           HA       ALA  29 -11.081   5.349   2.418
  222   1HB   ALA  29          1HB       ALA  29  -9.767   6.232   4.273
  223   2HB   ALA  29          2HB       ALA  29 -10.568   7.810   4.133
  224   3HB   ALA  29          3HB       ALA  29 -11.502   6.374   4.615
  225    H    GLY  30           H        GLY  30 -12.377   5.836   0.450
  226   1HA   GLY  30          2HA       GLY  30 -14.941   6.701   1.107
  227   2HA   GLY  30          1HA       GLY  30 -14.155   8.096   0.342
  228    H    THR  31           H        THR  31 -13.767   4.590  -0.347
  229    HA   THR  31           HA       THR  31 -15.434   4.597  -2.658
  230    HB   THR  31           HB       THR  31 -13.515   5.862  -3.607
  231    HG1  THR  31           HG1      THR  31 -13.193   4.480  -5.364
  232   1HG2  THR  31          2HG2      THR  31 -11.702   4.803  -2.170
  233   2HG2  THR  31          3HG2      THR  31 -11.838   3.357  -3.193
  234   3HG2  THR  31          1HG2      THR  31 -11.351   4.908  -3.905
  235    HA   PRO  32           HA       PRO  32 -15.034   0.333  -1.332
  236   1HB   PRO  32          1HB       PRO  32 -16.364  -1.013  -3.296
  237   2HB   PRO  32          2HB       PRO  32 -17.194   0.086  -2.156
  238   1HG   PRO  32          1HG       PRO  32 -16.198   0.748  -4.944
  239   2HG   PRO  32          2HG       PRO  32 -17.838   1.018  -4.280
  240   1HD   PRO  32          1HD       PRO  32 -15.995   2.993  -4.299
  241   2HD   PRO  32          2HD       PRO  32 -17.068   2.787  -2.887
  242   1HN   NH2  33          1HN       NH2  33 -12.710  -1.709  -3.123
  243   2HN   NH2  33          2HN       NH2  33 -13.997  -1.718  -1.937
   
  No H/Q in entry =         243
  Start of MODEL    9
    1   1H    CYS   1          3H        CYS   1  16.186  -1.310   2.946
    2   2H    CYS   1          1H        CYS   1  17.218  -1.063   1.683
    3   3H    CYS   1          2H        CYS   1  15.620  -0.685   1.528
    4    HA   CYS   1           HA       CYS   1  14.983  -2.936   1.744
    5   1HB   CYS   1          1HB       CYS   1  15.367  -2.000  -0.472
    6   2HB   CYS   1          2HB       CYS   1  17.073  -2.434  -0.400
    7    H    SER   2           H        SER   2  15.684  -3.875   3.676
    8    HA   SER   2           HA       SER   2  18.341  -4.863   4.141
    9   1HB   SER   2          1HB       SER   2  15.650  -5.510   5.407
   10   2HB   SER   2          2HB       SER   2  17.223  -6.078   6.012
   11    HG   SER   2           HG       SER   2  16.420  -3.377   5.675
   12    H    ASN   3           H        ASN   3  19.110  -6.208   2.582
   13    HA   ASN   3           HA       ASN   3  19.470  -8.051   1.358
   14   1HB   ASN   3          1HB       ASN   3  17.553  -9.494   3.238
   15   2HB   ASN   3          2HB       ASN   3  18.859 -10.199   2.276
   16   1HD2  ASN   3          1HD2      ASN   3  21.511  -8.982   4.408
   17   2HD2  ASN   3          2HD2      ASN   3  21.122  -9.282   2.728
   18    H    LEU   4           H        LEU   4  17.193 -10.196   1.117
   19    HA   LEU   4           HA       LEU   4  15.241  -8.758  -0.562
   20   1HB   LEU   4          1HB       LEU   4  15.490 -10.371  -2.361
   21   2HB   LEU   4          2HB       LEU   4  16.924  -9.374  -2.179
   22    HG   LEU   4           HG       LEU   4  16.889 -12.083  -0.817
   23   1HD1  LEU   4          2HD1      LEU   4  17.393 -11.627  -3.785
   24   2HD1  LEU   4          3HD1      LEU   4  17.703 -13.134  -2.895
   25   3HD1  LEU   4          1HD1      LEU   4  16.043 -12.543  -3.077
   26   1HD2  LEU   4          1HD2      LEU   4  19.065 -10.472  -2.233
   27   2HD2  LEU   4          2HD2      LEU   4  18.871 -10.614  -0.475
   28   3HD2  LEU   4          3HD2      LEU   4  19.288 -12.037  -1.429
   29    H    SER   5           H        SER   5  14.845  -9.562   1.984
   30    HA   SER   5           HA       SER   5  12.808 -11.677   1.695
   31   1HB   SER   5          1HB       SER   5  15.082 -11.801   3.735
   32   2HB   SER   5          2HB       SER   5  13.625 -12.818   3.747
   33    HG   SER   5           HG       SER   5  14.258 -13.538   1.649
   34    H    THR   6           H        THR   6  14.497  -9.743   4.232
   35    HA   THR   6           HA       THR   6  12.086  -8.947   5.576
   36    HB   THR   6           HB       THR   6  14.890  -7.757   5.590
   37    HG1  THR   6           HG1      THR   6  13.601  -9.616   7.289
   38   1HG2  THR   6          3HG2      THR   6  12.562  -7.415   7.536
   39   2HG2  THR   6          1HG2      THR   6  14.225  -6.851   7.808
   40   3HG2  THR   6          2HG2      THR   6  13.258  -6.142   6.506
   41    H    CYS   7           H        CYS   7  14.165  -7.502   3.046
   42    HA   CYS   7           HA       CYS   7  12.833  -5.051   2.640
   43   1HB   CYS   7          1HB       CYS   7  14.985  -5.597   1.676
   44   2HB   CYS   7          2HB       CYS   7  14.295  -6.913   0.735
   45    H    VAL   8           H        VAL   8  12.269  -8.285   1.150
   46    HA   VAL   8           HA       VAL   8  10.220  -7.456  -0.626
   47    HB   VAL   8           HB       VAL   8  10.908 -10.186   0.533
   48   1HG1  VAL   8          3HG1      VAL   8   9.052  -9.448  -1.773
   49   2HG1  VAL   8          1HG1      VAL   8   9.647 -11.086  -1.428
   50   3HG1  VAL   8          2HG1      VAL   8   8.595 -10.273  -0.265
   51   1HG2  VAL   8          3HG2      VAL   8  12.694  -9.110  -0.844
   52   2HG2  VAL   8          1HG2      VAL   8  11.998 -10.523  -1.650
   53   3HG2  VAL   8          2HG2      VAL   8  11.528  -8.889  -2.161
   54    H    LEU   9           H        LEU   9   9.985  -9.120   2.567
   55    HA   LEU   9           HA       LEU   9   7.169  -9.085   2.797
   56   1HB   LEU   9          1HB       LEU   9   9.385  -9.001   4.875
   57   2HB   LEU   9          2HB       LEU   9   7.684  -9.234   5.288
   58    HG   LEU   9           HG       LEU   9   9.169 -11.099   3.383
   59   1HD1  LEU   9          3HD1      LEU   9  10.285 -11.103   5.586
   60   2HD1  LEU   9          1HD1      LEU   9   8.722 -11.383   6.383
   61   3HD1  LEU   9          2HD1      LEU   9   9.410 -12.618   5.307
   62   1HD2  LEU   9          2HD2      LEU   9   6.575 -11.392   4.961
   63   2HD2  LEU   9          3HD2      LEU   9   6.713 -11.226   3.198
   64   3HD2  LEU   9          1HD2      LEU   9   7.346 -12.667   3.998
   65    H    GLY  10           H        GLY  10   9.602  -6.619   3.679
   66   1HA   GLY  10          1HA       GLY  10   7.915  -4.771   4.992
   67   2HA   GLY  10          2HA       GLY  10   9.427  -4.409   4.143
   68    H    LYS  11           H        LYS  11   8.840  -5.076   1.515
   69    HA   LYS  11           HA       LYS  11   7.437  -2.771   0.658
   70   1HB   LYS  11          1HB       LYS  11   9.286  -3.747  -0.614
   71   2HB   LYS  11          2HB       LYS  11   8.362  -5.231  -0.873
   72   1HG   LYS  11          1HG       LYS  11   8.312  -3.893  -2.880
   73   2HG   LYS  11          2HG       LYS  11   6.687  -3.975  -2.204
   74   1HD   LYS  11          1HD       LYS  11   7.081  -1.664  -1.189
   75   2HD   LYS  11          2HD       LYS  11   8.666  -1.658  -1.980
   76   1HE   LYS  11          1HE       LYS  11   7.138  -0.404  -3.342
   77   2HE   LYS  11          2HE       LYS  11   7.455  -1.926  -4.194
   78   1HZ   LYS  11          3HZ       LYS  11   5.111  -1.326  -2.523
   79   2HZ   LYS  11          1HZ       LYS  11   5.138  -1.344  -4.173
   80   3HZ   LYS  11          2HZ       LYS  11   5.371  -2.741  -3.330
   81    H    LEU  12           H        LEU  12   6.513  -6.242   0.780
   82    HA   LEU  12           HA       LEU  12   3.978  -5.965  -0.505
   83   1HB   LEU  12          1HB       LEU  12   5.043  -7.967   1.521
   84   2HB   LEU  12          2HB       LEU  12   3.484  -8.142   0.709
   85    HG   LEU  12           HG       LEU  12   6.117  -7.913  -0.805
   86   1HD1  LEU  12          2HD2      LEU  12   6.162  -9.902   0.654
   87   2HD1  LEU  12          3HD2      LEU  12   4.584 -10.415   0.019
   88   3HD1  LEU  12          1HD2      LEU  12   6.004 -10.368  -1.048
   89   1HD2  LEU  12          2HD1      LEU  12   3.340  -8.868  -1.634
   90   2HD2  LEU  12          3HD1      LEU  12   4.150  -7.389  -2.193
   91   3HD2  LEU  12          1HD1      LEU  12   4.800  -8.968  -2.637
   92    H    SER  13           H        SER  13   4.933  -5.882   2.953
   93    HA   SER  13           HA       SER  13   2.363  -5.515   4.058
   94   1HB   SER  13          1HB       SER  13   4.348  -6.092   5.377
   95   2HB   SER  13          2HB       SER  13   5.059  -4.497   5.052
   96    HG   SER  13           HG       SER  13   3.965  -4.591   7.056
   97    H    GLN  14           H        GLN  14   4.788  -3.089   2.992
   98    HA   GLN  14           HA       GLN  14   3.352  -0.735   3.558
   99   1HB   GLN  14          1HB       GLN  14   5.679  -0.703   3.085
  100   2HB   GLN  14          2HB       GLN  14   5.477  -1.418   1.490
  101   1HG   GLN  14          1HG       GLN  14   4.303   1.285   2.258
  102   2HG   GLN  14          2HG       GLN  14   5.937   1.094   1.613
  103   1HE2  GLN  14          1HE2      GLN  14   3.132   1.654  -1.068
  104   2HE2  GLN  14          2HE2      GLN  14   3.176   2.247   0.578
  105    H    GLU  15           H        GLU  15   3.415  -2.739   0.572
  106    HA   GLU  15           HA       GLU  15   1.797  -1.044  -0.996
  107   1HB   GLU  15          1HB       GLU  15   3.308  -2.778  -1.854
  108   2HB   GLU  15          2HB       GLU  15   2.257  -4.048  -1.207
  109   1HG   GLU  15          1HG       GLU  15   0.429  -3.314  -2.690
  110   2HG   GLU  15          2HG       GLU  15   1.420  -1.963  -3.272
  111    H    LEU  16           H        LEU  16   0.944  -3.937   0.964
  112    HA   LEU  16           HA       LEU  16  -1.837  -3.948   0.345
  113   1HB   LEU  16          1HB       LEU  16  -0.233  -5.012   2.697
  114   2HB   LEU  16          2HB       LEU  16  -1.954  -5.343   2.480
  115    HG   LEU  16           HG       LEU  16   0.111  -6.061   0.352
  116   1HD1  LEU  16          2HD1      LEU  16   0.689  -7.208   2.462
  117   2HD1  LEU  16          3HD1      LEU  16  -0.981  -7.796   2.606
  118   3HD1  LEU  16          1HD1      LEU  16   0.049  -8.348   1.266
  119   1HD2  LEU  16          1HD2      LEU  16  -2.734  -7.026   0.888
  120   2HD2  LEU  16          2HD2      LEU  16  -2.219  -5.992  -0.462
  121   3HD2  LEU  16          3HD2      LEU  16  -1.644  -7.659  -0.362
  122    H    HIS  17           H        HIS  17   0.025  -2.377   2.981
  123    HA   HIS  17           HA       HIS  17  -2.234  -1.368   4.400
  124   1HB   HIS  17          1HB       HIS  17   0.007  -1.618   5.361
  125   2HB   HIS  17          2HB       HIS  17   0.651  -0.412   4.239
  126    HD1  HIS  17           HD1      HIS  17   1.408   1.226   6.041
  127    HD2  HIS  17           HD2      HIS  17  -2.667   0.272   6.300
  128    HE1  HIS  17           HE1      HIS  17   0.361   2.814   7.726
  129    H    LYS  18           H        LYS  18  -0.231  -0.039   1.756
  130    HA   LYS  18           HA       LYS  18  -1.345   2.580   1.760
  131   1HB   LYS  18          1HB       LYS  18   0.844   2.107   0.849
  132   2HB   LYS  18          2HB       LYS  18   0.175   0.967  -0.324
  133   1HG   LYS  18          1HG       LYS  18   0.760   3.035  -1.409
  134   2HG   LYS  18          2HG       LYS  18  -0.989   2.805  -1.487
  135   1HD   LYS  18          1HD       LYS  18  -1.309   4.442   0.335
  136   2HD   LYS  18          2HD       LYS  18   0.447   4.548   0.571
  137   1HE   LYS  18          1HE       LYS  18  -0.323   6.477  -0.695
  138   2HE   LYS  18          2HE       LYS  18   0.705   5.465  -1.720
  139   1HZ   LYS  18          3HZ       LYS  18  -2.232   5.474  -1.733
  140   2HZ   LYS  18          1HZ       LYS  18  -1.261   6.204  -2.847
  141   3HZ   LYS  18          2HZ       LYS  18  -1.265   4.562  -2.708
  142    H    LEU  19           H        LEU  19  -1.825  -0.121  -0.589
  143    HA   LEU  19           HA       LEU  19  -3.990   1.201  -1.928
  144   1HB   LEU  19          1HB       LEU  19  -3.153  -1.728  -1.959
  145   2HB   LEU  19          2HB       LEU  19  -4.226  -0.937  -3.118
  146    HG   LEU  19           HG       LEU  19  -1.282  -0.267  -2.696
  147   1HD1  LEU  19          2HD1      LEU  19  -1.683  -2.484  -3.722
  148   2HD1  LEU  19          3HD1      LEU  19  -2.700  -1.723  -4.963
  149   3HD1  LEU  19          1HD1      LEU  19  -0.966  -1.343  -4.875
  150   1HD2  LEU  19          3HD2      LEU  19  -3.312   0.780  -4.721
  151   2HD2  LEU  19          1HD2      LEU  19  -2.465   1.732  -3.479
  152   3HD2  LEU  19          2HD2      LEU  19  -1.557   1.030  -4.821
  153    H    GLN  20           H        GLN  20  -4.040  -1.847  -0.043
  154    HA   GLN  20           HA       GLN  20  -5.477  -2.767   1.387
  155   1HB   GLN  20          1HB       GLN  20  -4.821  -0.737   2.613
  156   2HB   GLN  20          2HB       GLN  20  -6.237   0.121   2.027
  157   1HG   GLN  20          1HG       GLN  20  -7.686  -1.619   3.139
  158   2HG   GLN  20          2HG       GLN  20  -6.217  -2.387   3.762
  159   1HE2  GLN  20          1HE2      GLN  20  -5.442   0.396   6.015
  160   2HE2  GLN  20          2HE2      GLN  20  -4.649  -0.684   4.889
  161    H    THR  21           H        THR  21  -7.845  -0.203   0.968
  162    HA   THR  21           HA       THR  21  -9.940  -1.959   0.087
  163    HB   THR  21           HB       THR  21  -9.627   1.056   0.128
  164    HG1  THR  21           HG1      THR  21 -10.862  -0.758   1.918
  165   1HG2  THR  21          3HG2      THR  21 -12.145  -0.643  -0.181
  166   2HG2  THR  21          1HG2      THR  21 -12.128   1.104   0.145
  167   3HG2  THR  21          2HG2      THR  21 -11.484   0.489  -1.384
  168    H    TYR  22           H        TYR  22  -7.593   0.130  -1.456
  169    HA   TYR  22           HA       TYR  22  -6.481  -0.652  -3.256
  170   1HB   TYR  22          1HB       TYR  22  -9.055  -1.274  -4.707
  171   2HB   TYR  22          2HB       TYR  22  -7.440  -1.340  -5.381
  172    HD1  TYR  22           HD2      TYR  22  -5.715  -2.707  -3.555
  173    HD2  TYR  22           HD1      TYR  22  -9.867  -3.474  -4.454
  174    HE1  TYR  22           HE2      TYR  22  -5.492  -4.980  -2.640
  175    HE2  TYR  22           HE1      TYR  22  -9.624  -5.768  -3.566
  176    HH   TYR  22           HH       TYR  22  -6.545  -6.974  -2.183
  177    HA   PRO  23           HA       PRO  23  -7.642   3.229  -5.691
  178   1HB   PRO  23          1HB       PRO  23  -9.995   4.570  -5.167
  179   2HB   PRO  23          2HB       PRO  23  -9.794   3.339  -6.443
  180   1HG   PRO  23          1HG       PRO  23 -10.971   2.955  -3.687
  181   2HG   PRO  23          2HG       PRO  23 -11.583   2.358  -5.249
  182   1HD   PRO  23          1HD       PRO  23 -10.134   0.785  -3.574
  183   2HD   PRO  23          2HD       PRO  23  -9.972   0.661  -5.352
  184    H    ARG  24           H        ARG  24  -9.449   3.433  -2.578
  185    HA   ARG  24           HA       ARG  24  -7.170   4.304  -1.130
  186   1HB   ARG  24          1HB       ARG  24  -7.729   6.502  -0.522
  187   2HB   ARG  24          2HB       ARG  24  -7.990   6.499  -2.268
  188   1HG   ARG  24          1HG       ARG  24 -10.466   6.061  -1.768
  189   2HG   ARG  24          2HG       ARG  24 -10.077   6.324  -0.055
  190   1HD   ARG  24          1HD       ARG  24  -8.995   8.564  -0.931
  191   2HD   ARG  24          2HD       ARG  24 -10.084   8.329  -2.306
  192    HE   ARG  24           HE       ARG  24 -10.713   9.263   0.318
  193   1HH1  ARG  24          2HH2      ARG  24 -12.151   7.182  -2.198
  194   2HH1  ARG  24          1HH2      ARG  24 -13.759   7.322  -1.528
  195   1HH2  ARG  24          1HH1      ARG  24 -12.821   9.441   1.125
  196   2HH2  ARG  24          2HH1      ARG  24 -14.141   8.603   0.338
  197    H    THR  25           H        THR  25  -7.762   4.505   1.220
  198    HA   THR  25           HA       THR  25  -9.837   2.624   1.999
  199    HB   THR  25           HB       THR  25  -8.037   4.433   3.654
  200    HG1  THR  25           HG1      THR  25  -7.853   1.693   2.971
  201   1HG2  THR  25          3HG2      THR  25  -9.745   2.022   4.429
  202   2HG2  THR  25          1HG2      THR  25  -8.576   2.846   5.484
  203   3HG2  THR  25          2HG2      THR  25 -10.030   3.699   4.943
  204    H    ASP  26           H        ASP  26 -11.761   3.465   1.243
  205    HA   ASP  26           HA       ASP  26 -12.577   6.126   1.300
  206   1HB   ASP  26          1HB       ASP  26 -13.594   4.393  -0.096
  207   2HB   ASP  26          2HB       ASP  26 -14.231   3.571   1.336
  208    H    VAL  27           H        VAL  27 -13.421   7.438   2.798
  209    HA   VAL  27           HA       VAL  27 -13.902   8.331   4.782
  210    HB   VAL  27           HB       VAL  27 -15.069   5.637   5.608
  211   1HG1  VAL  27          1HG1      VAL  27 -15.465   8.456   6.697
  212   2HG1  VAL  27          2HG1      VAL  27 -16.360   7.009   7.202
  213   3HG1  VAL  27          3HG1      VAL  27 -14.628   7.130   7.530
  214   1HG2  VAL  27          1HG2      VAL  27 -16.366   8.085   4.327
  215   2HG2  VAL  27          2HG2      VAL  27 -16.172   6.492   3.567
  216   3HG2  VAL  27          3HG2      VAL  27 -17.229   6.673   4.970
  217    H    GLY  28           H        GLY  28 -11.762   8.732   5.202
  218   1HA   GLY  28          2HA       GLY  28 -10.080   8.767   6.840
  219   2HA   GLY  28          1HA       GLY  28 -10.454   7.107   7.319
  220    H    ALA  29           H        ALA  29  -9.510   8.925   4.362
  221    HA   ALA  29           HA       ALA  29  -7.875   6.703   3.332
  222   1HB   ALA  29          2HB       ALA  29  -9.360   7.970   1.848
  223   2HB   ALA  29          3HB       ALA  29  -8.488   9.469   2.226
  224   3HB   ALA  29          1HB       ALA  29  -7.664   8.145   1.370
  225    H    GLY  30           H        GLY  30  -6.675   7.039   5.537
  226   1HA   GLY  30          2HA       GLY  30  -5.013   9.317   5.927
  227   2HA   GLY  30          1HA       GLY  30  -4.897   7.760   6.759
  228    H    THR  31           H        THR  31  -3.936   5.921   5.385
  229    HA   THR  31           HA       THR  31  -1.322   6.664   4.645
  230    HB   THR  31           HB       THR  31  -2.687   4.000   4.122
  231    HG1  THR  31           HG1      THR  31  -1.854   3.516   6.138
  232   1HG2  THR  31          3HG2      THR  31  -0.471   4.364   2.957
  233   2HG2  THR  31          1HG2      THR  31   0.244   4.737   4.536
  234   3HG2  THR  31          2HG2      THR  31  -0.416   3.119   4.218
  235    HA   PRO  32           HA       PRO  32  -2.616   6.668   0.070
  236   1HB   PRO  32          1HB       PRO  32  -5.086   6.047  -0.819
  237   2HB   PRO  32          2HB       PRO  32  -3.917   4.782  -0.376
  238   1HG   PRO  32          1HG       PRO  32  -6.130   5.905   1.374
  239   2HG   PRO  32          2HG       PRO  32  -5.777   4.186   1.007
  240   1HD   PRO  32          1HD       PRO  32  -4.870   5.407   3.265
  241   2HD   PRO  32          2HD       PRO  32  -3.928   4.161   2.393
  242   1HN   NH2  33          1HN       NH2  33  -3.678   9.954   1.288
  243   2HN   NH2  33          2HN       NH2  33  -2.403   8.776   1.525
   
  No H/Q in entry =         243
  Start of MODEL   10
    1   1H    CYS   1          3H        CYS   1  17.835  -1.892   2.725
    2   2H    CYS   1          1H        CYS   1  18.087  -1.319   1.200
    3   3H    CYS   1          2H        CYS   1  16.627  -1.096   1.933
    4    HA   CYS   1           HA       CYS   1  16.204  -3.409   1.969
    5   1HB   CYS   1          1HB       CYS   1  15.481  -1.968   0.071
    6   2HB   CYS   1          2HB       CYS   1  16.951  -2.400  -0.796
    7    H    SER   2           H        SER   2  18.427  -3.894   3.137
    8    HA   SER   2           HA       SER   2  20.562  -4.950   1.502
    9   1HB   SER   2          1HB       SER   2  20.004  -5.145   4.493
   10   2HB   SER   2          2HB       SER   2  21.495  -5.671   3.682
   11    HG   SER   2           HG       SER   2  20.411  -3.050   3.672
   12    H    ASN   3           H        ASN   3  18.540  -6.623   3.982
   13    HA   ASN   3           HA       ASN   3  18.949  -9.209   2.738
   14   1HB   ASN   3          1HB       ASN   3  18.745  -8.962   5.168
   15   2HB   ASN   3          2HB       ASN   3  17.119  -8.289   4.987
   16   1HD2  ASN   3          1HD2      ASN   3  16.095 -11.631   5.722
   17   2HD2  ASN   3          2HD2      ASN   3  16.298 -10.011   6.351
   18    H    LEU   4           H        LEU   4  17.885  -9.790   0.933
   19    HA   LEU   4           HA       LEU   4  15.404  -8.475   0.081
   20   1HB   LEU   4          1HB       LEU   4  16.997 -10.711  -1.220
   21   2HB   LEU   4          2HB       LEU   4  15.718  -9.734  -1.961
   22    HG   LEU   4           HG       LEU   4  18.472  -8.773  -1.054
   23   1HD1  LEU   4          2HD1      LEU   4  18.434 -10.087  -3.143
   24   2HD1  LEU   4          3HD1      LEU   4  17.205  -8.992  -3.813
   25   3HD1  LEU   4          1HD1      LEU   4  18.835  -8.387  -3.447
   26   1HD2  LEU   4          3HD2      LEU   4  16.153  -7.190  -2.249
   27   2HD2  LEU   4          1HD2      LEU   4  16.908  -6.940  -0.656
   28   3HD2  LEU   4          2HD2      LEU   4  17.824  -6.602  -2.126
   29    H    SER   5           H        SER   5  14.602  -9.365   2.257
   30    HA   SER   5           HA       SER   5  12.660 -11.428   1.694
   31   1HB   SER   5          1HB       SER   5  14.555 -12.873   2.354
   32   2HB   SER   5          2HB       SER   5  14.761 -11.945   3.850
   33    HG   SER   5           HG       SER   5  12.632 -12.566   4.415
   34    H    THR   6           H        THR   6  14.371  -9.716   4.372
   35    HA   THR   6           HA       THR   6  12.020  -8.926   5.811
   36    HB   THR   6           HB       THR   6  14.808  -7.696   5.675
   37    HG1  THR   6           HG1      THR   6  15.070  -8.915   7.579
   38   1HG2  THR   6          3HG2      THR   6  12.563  -7.341   7.714
   39   2HG2  THR   6          1HG2      THR   6  14.230  -6.759   7.909
   40   3HG2  THR   6          2HG2      THR   6  13.205  -6.082   6.634
   41    H    CYS   7           H        CYS   7  14.051  -7.371   3.277
   42    HA   CYS   7           HA       CYS   7  12.594  -4.953   3.029
   43   1HB   CYS   7          1HB       CYS   7  14.830  -5.281   2.112
   44   2HB   CYS   7          2HB       CYS   7  14.224  -6.514   0.998
   45    H    VAL   8           H        VAL   8  12.240  -8.124   1.367
   46    HA   VAL   8           HA       VAL   8  10.273  -7.315  -0.503
   47    HB   VAL   8           HB       VAL   8  10.926 -10.050   0.666
   48   1HG1  VAL   8          3HG2      VAL   8   9.263  -9.299  -1.777
   49   2HG1  VAL   8          1HG2      VAL   8   9.852 -10.934  -1.410
   50   3HG1  VAL   8          2HG2      VAL   8   8.696 -10.157  -0.325
   51   1HG2  VAL   8          3HG1      VAL   8  12.819  -8.950  -0.533
   52   2HG2  VAL   8          1HG1      VAL   8  12.200 -10.345  -1.424
   53   3HG2  VAL   8          2HG1      VAL   8  11.768  -8.702  -1.941
   54    H    LEU   9           H        LEU   9   9.911  -9.030   2.644
   55    HA   LEU   9           HA       LEU   9   7.089  -9.094   2.724
   56   1HB   LEU   9          1HB       LEU   9   9.199  -9.018   4.905
   57   2HB   LEU   9          2HB       LEU   9   7.484  -9.268   5.243
   58    HG   LEU   9           HG       LEU   9   9.040 -11.087   3.354
   59   1HD1  LEU   9          1HD1      LEU   9  10.097 -11.126   5.593
   60   2HD1  LEU   9          2HD1      LEU   9   8.515 -11.435   6.337
   61   3HD1  LEU   9          3HD1      LEU   9   9.245 -12.642   5.255
   62   1HD2  LEU   9          3HD2      LEU   9   6.413 -11.430   4.868
   63   2HD2  LEU   9          1HD2      LEU   9   6.586 -11.223   3.113
   64   3HD2  LEU   9          2HD2      LEU   9   7.214 -12.677   3.893
   65    H    GLY  10           H        GLY  10   9.391  -6.628   3.971
   66   1HA   GLY  10          1HA       GLY  10   7.558  -4.876   5.180
   67   2HA   GLY  10          2HA       GLY  10   9.116  -4.427   4.465
   68    H    LYS  11           H        LYS  11   8.792  -4.935   1.798
   69    HA   LYS  11           HA       LYS  11   7.496  -2.622   0.887
   70   1HB   LYS  11          1HB       LYS  11   9.384  -3.702  -0.202
   71   2HB   LYS  11          2HB       LYS  11   8.393  -5.079  -0.690
   72   1HG   LYS  11          1HG       LYS  11   7.611  -2.254  -1.497
   73   2HG   LYS  11          2HG       LYS  11   8.929  -3.092  -2.326
   74   1HD   LYS  11          1HD       LYS  11   7.441  -4.941  -2.961
   75   2HD   LYS  11          2HD       LYS  11   6.085  -4.175  -2.125
   76   1HE   LYS  11          1HE       LYS  11   5.891  -3.719  -4.469
   77   2HE   LYS  11          2HE       LYS  11   6.246  -2.207  -3.614
   78   1HZ   LYS  11          3HZ       LYS  11   8.193  -3.862  -5.066
   79   2HZ   LYS  11          1HZ       LYS  11   7.521  -2.460  -5.615
   80   3HZ   LYS  11          2HZ       LYS  11   8.520  -2.436  -4.305
   81    H    LEU  12           H        LEU  12   6.457  -6.080   0.454
   82    HA   LEU  12           HA       LEU  12   4.063  -5.319  -0.868
   83   1HB   LEU  12          1HB       LEU  12   3.424  -7.614  -0.823
   84   2HB   LEU  12          2HB       LEU  12   5.122  -7.415  -1.234
   85    HG   LEU  12           HG       LEU  12   5.477  -7.896   1.372
   86   1HD1  LEU  12          2HD1      LEU  12   3.017  -8.099   1.915
   87   2HD1  LEU  12          3HD1      LEU  12   2.903  -9.422   0.745
   88   3HD1  LEU  12          1HD1      LEU  12   3.902  -9.599   2.200
   89   1HD2  LEU  12          3HD2      LEU  12   6.408  -9.211  -0.491
   90   2HD2  LEU  12          1HD2      LEU  12   5.801 -10.271   0.791
   91   3HD2  LEU  12          2HD2      LEU  12   4.852 -10.042  -0.694
   92    H    SER  13           H        SER  13   4.735  -5.915   2.592
   93    HA   SER  13           HA       SER  13   2.034  -5.947   3.478
   94   1HB   SER  13          1HB       SER  13   4.591  -5.125   4.911
   95   2HB   SER  13          2HB       SER  13   3.011  -5.348   5.688
   96    HG   SER  13           HG       SER  13   4.469  -7.306   4.253
   97    H    GLN  14           H        GLN  14   4.389  -3.236   3.109
   98    HA   GLN  14           HA       GLN  14   2.551  -1.200   3.969
   99   1HB   GLN  14          1HB       GLN  14   5.095  -1.146   2.302
  100   2HB   GLN  14          2HB       GLN  14   4.191   0.313   2.726
  101   1HG   GLN  14          1HG       GLN  14   5.332  -1.644   4.771
  102   2HG   GLN  14          2HG       GLN  14   6.099  -0.140   4.253
  103   1HE2  GLN  14          1HE2      GLN  14   3.114  -0.067   7.045
  104   2HE2  GLN  14          2HE2      GLN  14   3.681  -1.558   6.323
  105    H    GLU  15           H        GLU  15   3.395  -2.517   0.735
  106    HA   GLU  15           HA       GLU  15   2.007  -0.676  -0.824
  107   1HB   GLU  15          1HB       GLU  15   3.614  -2.324  -1.664
  108   2HB   GLU  15          2HB       GLU  15   2.460  -3.635  -1.352
  109   1HG   GLU  15          1HG       GLU  15   0.896  -2.680  -2.996
  110   2HG   GLU  15          2HG       GLU  15   1.960  -1.281  -3.222
  111    H    LEU  16           H        LEU  16   0.783  -3.872   0.375
  112    HA   LEU  16           HA       LEU  16  -1.838  -3.439  -0.650
  113   1HB   LEU  16          1HB       LEU  16  -2.500  -5.422   0.462
  114   2HB   LEU  16          2HB       LEU  16  -0.916  -5.619  -0.277
  115    HG   LEU  16           HG       LEU  16  -0.046  -5.040   2.178
  116   1HD1  LEU  16          1HD1      LEU  16  -2.337  -4.665   3.175
  117   2HD1  LEU  16          2HD1      LEU  16  -2.770  -6.318   2.720
  118   3HD1  LEU  16          3HD1      LEU  16  -1.492  -6.026   3.915
  119   1HD2  LEU  16          2HD2      LEU  16   0.391  -7.134   0.936
  120   2HD2  LEU  16          3HD2      LEU  16   0.025  -7.461   2.637
  121   3HD2  LEU  16          1HD2      LEU  16  -1.212  -7.741   1.393
  122    H    HIS  17           H        HIS  17  -0.356  -2.625   2.505
  123    HA   HIS  17           HA       HIS  17  -2.780  -2.040   3.863
  124   1HB   HIS  17          1HB       HIS  17  -0.654  -2.455   4.981
  125   2HB   HIS  17          2HB       HIS  17   0.032  -0.974   4.295
  126    HD1  HIS  17           HD1      HIS  17   0.485   0.055   6.614
  127    HD2  HIS  17           HD2      HIS  17  -3.546  -0.907   5.977
  128    HE1  HIS  17           HE1      HIS  17  -0.856   1.114   8.495
  129    H    LYS  18           H        LYS  18  -0.566   0.019   1.942
  130    HA   LYS  18           HA       LYS  18  -1.732   2.534   2.378
  131   1HB   LYS  18          1HB       LYS  18  -0.139   1.331   0.113
  132   2HB   LYS  18          2HB       LYS  18  -0.736   2.990   0.033
  133   1HG   LYS  18          1HG       LYS  18   0.354   3.501   2.208
  134   2HG   LYS  18          2HG       LYS  18   1.075   1.901   2.235
  135   1HD   LYS  18          1HD       LYS  18   1.519   4.032   0.091
  136   2HD   LYS  18          2HD       LYS  18   2.614   3.668   1.433
  137   1HE   LYS  18          1HE       LYS  18   2.882   1.340   0.561
  138   2HE   LYS  18          2HE       LYS  18   1.882   1.776  -0.843
  139   1HZ   LYS  18          3HZ       LYS  18   4.415   3.033  -0.093
  140   2HZ   LYS  18          1HZ       LYS  18   4.189   1.951  -1.317
  141   3HZ   LYS  18          2HZ       LYS  18   3.482   3.439  -1.391
  142    H    LEU  19           H        LEU  19  -2.414   0.247  -0.324
  143    HA   LEU  19           HA       LEU  19  -4.587   1.915  -1.255
  144   1HB   LEU  19          1HB       LEU  19  -4.880   0.255  -2.992
  145   2HB   LEU  19          2HB       LEU  19  -3.193   0.708  -2.779
  146    HG   LEU  19           HG       LEU  19  -3.131  -1.482  -1.237
  147   1HD1  LEU  19          3HD1      LEU  19  -5.332  -2.129  -3.252
  148   2HD1  LEU  19          1HD1      LEU  19  -4.509  -3.288  -2.191
  149   3HD1  LEU  19          2HD1      LEU  19  -5.560  -2.051  -1.497
  150   1HD2  LEU  19          3HD2      LEU  19  -3.096  -1.528  -4.277
  151   2HD2  LEU  19          1HD2      LEU  19  -1.739  -1.079  -3.221
  152   3HD2  LEU  19          2HD2      LEU  19  -2.356  -2.739  -3.207
  153    H    GLN  20           H        GLN  20  -4.418  -0.833   0.972
  154    HA   GLN  20           HA       GLN  20  -7.144  -1.602   0.852
  155   1HB   GLN  20          1HB       GLN  20  -5.497  -2.990   1.951
  156   2HB   GLN  20          2HB       GLN  20  -5.131  -1.717   3.130
  157   1HG   GLN  20          1HG       GLN  20  -6.531  -3.484   4.091
  158   2HG   GLN  20          2HG       GLN  20  -7.370  -1.934   4.106
  159   1HE2  GLN  20          1HE2      GLN  20  -8.617  -4.925   1.475
  160   2HE2  GLN  20          2HE2      GLN  20  -6.944  -4.839   1.979
  161    H    THR  21           H        THR  21  -5.449   0.877   2.840
  162    HA   THR  21           HA       THR  21  -7.910   1.815   4.076
  163    HB   THR  21           HB       THR  21  -6.447   3.641   4.920
  164    HG1  THR  21           HG1      THR  21  -4.233   3.437   4.531
  165   1HG2  THR  21          2HG2      THR  21  -6.722   1.555   6.202
  166   2HG2  THR  21          3HG2      THR  21  -5.371   0.813   5.318
  167   3HG2  THR  21          1HG2      THR  21  -5.079   2.201   6.382
  168    H    TYR  22           H        TYR  22  -5.858   4.247   2.648
  169    HA   TYR  22           HA       TYR  22  -7.093   4.768   0.251
  170   1HB   TYR  22          1HB       TYR  22  -8.615   6.609   0.643
  171   2HB   TYR  22          2HB       TYR  22  -9.251   5.109   1.242
  172    HD1  TYR  22           HD2      TYR  22  -9.472   4.712   3.717
  173    HD2  TYR  22           HD1      TYR  22  -8.159   8.492   2.102
  174    HE1  TYR  22           HE2      TYR  22  -9.776   5.767   5.933
  175    HE2  TYR  22           HE1      TYR  22  -8.526   9.556   4.306
  176    HH   TYR  22           HH       TYR  22  -9.098   9.239   6.513
  177    HA   PRO  23           HA       PRO  23  -4.953   8.804   1.782
  178   1HB   PRO  23          1HB       PRO  23  -3.085   7.703   3.867
  179   2HB   PRO  23          2HB       PRO  23  -3.882   9.300   3.805
  180   1HG   PRO  23          1HG       PRO  23  -4.817   7.386   5.464
  181   2HG   PRO  23          2HG       PRO  23  -5.969   8.338   4.484
  182   1HD   PRO  23          1HD       PRO  23  -4.792   5.618   3.836
  183   2HD   PRO  23          2HD       PRO  23  -6.507   6.077   3.913
  184    H    ARG  24           H        ARG  24  -3.060   5.815   2.216
  185    HA   ARG  24           HA       ARG  24  -1.287   4.909   1.254
  186   1HB   ARG  24          1HB       ARG  24  -1.325   7.059  -0.902
  187   2HB   ARG  24          2HB       ARG  24  -0.403   5.560  -0.901
  188   1HG   ARG  24          1HG       ARG  24  -2.479   4.230  -0.897
  189   2HG   ARG  24          2HG       ARG  24  -3.454   5.702  -0.857
  190   1HD   ARG  24          1HD       ARG  24  -1.515   4.913  -3.067
  191   2HD   ARG  24          2HD       ARG  24  -3.272   4.751  -3.144
  192    HE   ARG  24           HE       ARG  24  -1.676   7.147  -3.525
  193   1HH1  ARG  24          2HH2      ARG  24  -4.918   6.031  -2.542
  194   2HH1  ARG  24          1HH2      ARG  24  -5.670   7.562  -2.919
  195   1HH2  ARG  24          1HH1      ARG  24  -2.695   9.123  -3.986
  196   2HH2  ARG  24          2HH1      ARG  24  -4.415   9.312  -3.734
  197    H    THR  25           H        THR  25  -0.695   8.405   0.659
  198    HA   THR  25           HA       THR  25   1.798   8.441   2.163
  199    HB   THR  25           HB       THR  25   0.009  10.689   1.129
  200    HG1  THR  25           HG1      THR  25   0.872   9.354  -0.495
  201   1HG2  THR  25          3HG2      THR  25   2.901  10.702   2.114
  202   2HG2  THR  25          1HG2      THR  25   2.072  12.064   1.331
  203   3HG2  THR  25          2HG2      THR  25   1.520  11.487   2.912
  204    H    ASP  26           H        ASP  26   1.876   8.502   4.339
  205    HA   ASP  26           HA       ASP  26   1.256   8.413   6.492
  206   1HB   ASP  26          1HB       ASP  26  -0.765  10.600   5.817
  207   2HB   ASP  26          2HB       ASP  26  -0.241  10.110   7.426
  208    H    VAL  27           H        VAL  27   0.596   6.290   5.595
  209    HA   VAL  27           HA       VAL  27  -1.906   5.596   4.733
  210    HB   VAL  27           HB       VAL  27   0.064   4.215   4.511
  211   1HG1  VAL  27          3HG1      VAL  27   1.091   4.507   6.764
  212   2HG1  VAL  27          1HG1      VAL  27  -0.188   3.493   7.464
  213   3HG1  VAL  27          2HG1      VAL  27   0.944   2.810   6.289
  214   1HG2  VAL  27          1HG2      VAL  27  -2.231   3.244   4.370
  215   2HG2  VAL  27          2HG2      VAL  27  -0.977   2.062   4.794
  216   3HG2  VAL  27          3HG2      VAL  27  -2.080   2.687   6.041
  217    H    GLY  28           H        GLY  28  -3.844   5.030   5.572
  218   1HA   GLY  28          2HA       GLY  28  -5.517   4.627   7.051
  219   2HA   GLY  28          1HA       GLY  28  -4.321   4.299   8.314
  220    H    ALA  29           H        ALA  29  -6.678   5.587   8.930
  221    HA   ALA  29           HA       ALA  29  -6.446   8.461   8.998
  222   1HB   ALA  29          3HB       ALA  29  -8.102   6.531  10.680
  223   2HB   ALA  29          1HB       ALA  29  -8.284   8.299  10.641
  224   3HB   ALA  29          2HB       ALA  29  -8.608   7.339   9.184
  225    H    GLY  30           H        GLY  30  -6.124   5.950  11.568
  226   1HA   GLY  30          2HA       GLY  30  -4.485   7.678  13.295
  227   2HA   GLY  30          1HA       GLY  30  -5.007   6.012  13.587
  228    H    THR  31           H        THR  31  -2.811   7.996  11.585
  229    HA   THR  31           HA       THR  31  -1.424   5.898  10.381
  230    HB   THR  31           HB       THR  31  -0.514   8.743  10.952
  231    HG1  THR  31           HG1      THR  31  -1.365   9.070   8.863
  232   1HG2  THR  31          3HG2      THR  31   0.433   6.777   8.814
  233   2HG2  THR  31          1HG2      THR  31   0.918   8.477   8.969
  234   3HG2  THR  31          2HG2      THR  31   1.388   7.315  10.215
  235    HA   PRO  32           HA       PRO  32   0.940   4.614  13.983
  236   1HB   PRO  32          1HB       PRO  32   2.547   2.700  12.877
  237   2HB   PRO  32          2HB       PRO  32   0.791   2.487  13.126
  238   1HG   PRO  32          1HG       PRO  32   2.200   3.302  10.576
  239   2HG   PRO  32          2HG       PRO  32   0.937   2.058  10.788
  240   1HD   PRO  32          1HD       PRO  32   0.370   4.586   9.939
  241   2HD   PRO  32          2HD       PRO  32  -0.760   3.684  10.995
  242   1HN   NH2  33          1HN       NH2  33   4.096   6.122  11.713
  243   2HN   NH2  33          2HN       NH2  33   2.764   5.314  10.918
   
  No H/Q in entry =         243