*HEADER    NEUROPEPTIDE                            23-FEB-07   2OYW              
*TITLE     NEUROTENSIN IN TFE:H2O (80:20)                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROTENSIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS.             
*KEYWDS    EXTENDED STRUCTURE                                                    
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    J.P.MONTI, J.COUTANT, P.A.CURMI                                       
*REVDAT   1   08-MAY-07 2OYW    0                                                


!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:PGLU_1:CA        S
1:LEU_2:CA         S
1:TYR_3:CA         S
1:GLU-_4:CA        S
1:ASN_5:CA         S
1:LYS+_6:CA        S
1:PRO_7:CA         S
1:ARG+_8:CA        S
1:ARG+_9:CA        S
1:PRO_10:CA        S
1:TYR_11:CA        S
1:ILE_12:CA        S
1:ILE_12:CB        S
1:LEUC_13:CA       S
!
#distance
1:PGLU_1:CA        1:TYR_3:CA          4.700  7.200  1.000 1.000 1000.000 
1:LEU_2:CA         1:GLU-_4:CA         4.700  7.200  1.000 1.000 1000.000
1:TYR_3:CA         1:ASN_5:CA          4.700  7.200  1.000 1.000 1000.000
1:GLU-_4:CA        1:LYS+_6:CA         4.700  7.200  1.000 1.000 1000.000
1:ASN_5:CA         1:PRO_7:CA          4.700  7.200  1.000 1.000 1000.000
1:LYS+_6:CA        1:ARG+_8:CA         4.700  7.200  1.000 1.000 1000.000
1:PRO_7:CA         1:ARG+_9:CA         4.700  7.200  1.000 1.000 1000.000
1:ARG+_8:CA        1:PRO_10:CA         4.700  7.200  1.000 1.000 1000.000
1:ARG+_9:CA        1:TYR_11:CA         4.700  7.200  1.000 1.000 1000.000
1:PRO_10:CA        1:ILE_12:CA         4.700  7.200  1.000 1.000 1000.000
1:TYR_11:CA        1:LEUC_13:CA        4.700  7.200  1.000 1.000 1000.000
!
#NOE_distance
1:PGLU_1:HA        1:PGLU_1:HB*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HA        1:PGLU_1:HG*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HB*       1:PGLU_1:HG*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:PGLU_1:HG*       1:PGLU_1:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HA         1:LEU_2:HB*        -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:LEU_2:HA         1:LEU_2:HD*        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HA         1:LEU_2:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HB*        1:LEU_2:HG         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HB*        1:LEU_2:HD*        -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HB*        1:LEU_2:HN         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HD*        1:LEU_2:HN         -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HA         1:TYR_3:HB*        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HA         1:TYR_3:HD*        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HA         1:TYR_3:HN         -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:TYR_3:HD*        -1.000  6.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:TYR_3:HE*        -1.000  8.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:TYR_3:HN         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HN         -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HA        1:GLU-_4:HB*       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:GLU-_4:HA        1:GLU-_4:HG*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HA        1:GLU-_4:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLU-_4:HB*       1:GLU-_4:HG*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:GLU-_4:HB*       1:GLU-_4:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HG*       1:GLU-_4:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:ASN_5:HB*        -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:ASN_5:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:ASN_5:HD2*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HB*        1:ASN_5:HN         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_5:HB*        1:ASN_5:HD2*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HB*       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HG*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HE*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_6:HB*       1:LYS+_6:HG*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_6:HB*       1:LYS+_6:HE*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HB*       1:LYS+_6:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HG*       1:LYS+_6:HD*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_6:HG*       1:LYS+_6:HE*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HG*       1:LYS+_6:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_7:HA         1:PRO_7:HB*        -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:PRO_7:HA         1:PRO_7:HG*        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_7:HB*        1:PRO_7:HG*        -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_7:HB*        1:PRO_7:HD*        -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_7:HG*        1:PRO_7:HD*        -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HB*       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HG*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HD*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HG*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HD*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HG*       1:ARG+_8:HD*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_8:HG*       1:ARG+_8:HE        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HG*       1:ARG+_8:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HD*       1:ARG+_8:HE        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HD*       1:ARG+_8:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:ARG+_9:HB*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:ARG+_9:HG*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:ARG+_9:HD*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:ARG+_9:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_9:HB*       1:ARG+_9:HD*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HB*       1:ARG+_9:HE        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HB*       1:ARG+_9:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       1:ARG+_9:HD*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       1:ARG+_9:HE        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       1:ARG+_9:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HD*       1:ARG+_9:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HD*       1:ARG+_9:HE        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:PRO_10:HB*       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:PRO_10:HG*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:PRO_10:HG*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:PRO_10:HD*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_10:HG*       1:PRO_10:HD*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:TYR_11:HB*       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:TYR_11:HD*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:TYR_11:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:TYR_11:HN        -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HB        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HG1*      -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HG2*      -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HD1*      -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HB        1:ILE_12:HG1*      -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HB        1:ILE_12:HG2*      -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HB        1:ILE_12:HD1*      -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HB        1:ILE_12:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HG1*      1:ILE_12:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HG2*      1:ILE_12:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HD1*      1:ILE_12:HG1*      -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:LEUC_13:HG       1:LEUC_13:HD*      -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:LEUC_13:HG       1:LEUC_13:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HG*       1:LEU_2:HN         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HB*        1:TYR_3:HD*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HB*        1:TYR_3:HN         -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HG         1:TYR_3:HA         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HG         1:TYR_3:HD*        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HG         1:TYR_3:HE*        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HG         1:TYR_3:HN         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HG         1:GLU-_4:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HD*        1:TYR_3:HE*        -1.000 10.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HA         1:GLU-_4:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:GLU-_4:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HD*        1:GLU-_4:HG*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HD*        1:GLU-_4:HN        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HN         1:GLU-_4:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HD*        1:ASN_5:HA         -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HD*        1:ASN_5:HB*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HE*        1:ASN_5:HA         -1.000  8.200  6.200 30.00 30.00 1000.000  0.00
1:TYR_3:HE*        1:ASN_5:HB*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HA        1:ASN_5:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HB*       1:ASN_5:HN         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HB*       1:LYS+_6:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HG*       1:ASN_5:HN         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HG*       1:LYS+_6:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HN        1:ASN_5:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:LYS+_6:HG*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:LYS+_6:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HB*        1:LYS+_6:HG*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HB*        1:LYS+_6:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HN         1:LYS+_6:HG*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HN         1:LYS+_6:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:PRO_7:HB*        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:PRO_7:HG*        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:PRO_7:HD*        -1.000  3.700  2.700 30.00 30.00 1000.000  0.00
1:LYS+_6:HB*       1:PRO_7:HD*        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HG*       1:PRO_7:HD*        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HN        1:PRO_7:HD*        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_7:HB*        1:ARG+_8:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_7:HG*        1:ARG+_8:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_9:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_9:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:PRO_10:HG*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:PRO_10:HD*       -1.000  3.700  2.700 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:TYR_11:HD*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:TYR_11:HE*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HA        1:TYR_11:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HB*       1:PRO_10:HD*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HB*       1:TYR_11:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       1:PRO_10:HD*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       1:TYR_11:HE*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HD*       1:TYR_11:HE*       -1.000  9.200  6.200 30.00 30.00 1000.000  0.00
1:ARG+_9:HN        1:PRO_10:HD*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:TYR_11:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:TYR_11:HA        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:TYR_11:HD*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:TYR_11:HE*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:TYR_11:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_10:HG*       1:TYR_11:HE*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HG*       1:TYR_11:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HD*       1:TYR_11:HD*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HD*       1:TYR_11:HE*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HD*       1:TYR_11:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:ILE_12:HB        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:ILE_12:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:ILE_12:HG1*      -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:ILE_12:HG2*      -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:ILE_12:HG1*      -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:ILE_12:HG2*      -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HE*       1:LEUC_13:HG       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:LEUC_13:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HB*       1:LEUC_13:HN       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HG1*      1:LEUC_13:HN       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HG2*      1:LEUC_13:HN       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HN        1:LEUC_13:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00 
!
#NMR_dihedral
1:PGLU_1:CA        1:PGLU_1:C         1:LEU_2:N          1:LEU_2:CA         180.000 180.000 100.00 100.00 1000.000
1:LEU_2:CA         1:LEU_2:C          1:TYR_3:N          1:TYR_3:CA         180.000 180.000 100.00 100.00 1000.000
1:TYR_3:CA         1:TYR_3:C          1:GLU-_4:N         1:GLU-_4:CA        180.000 180.000 100.00 100.00 1000.000
1:GLU-_4:CA        1:GLU-_4:C         1:ASN_5:N          1:ASN_5:CA         180.000 180.000 100.00 100.00 1000.000
1:ASN_5:CA         1:ASN_5:C          1:LYS+_6:N         1:LYS+_6:CA        180.000 180.000 100.00 100.00 1000.000
1:LYS+_6:CA        1:LYS+_6:C         1:PRO_7:N          1:PRO_7:CA         180.000 180.000 100.00 100.00 1000.000
1:PRO_7:CA         1:PRO_7:C          1:ARG+_8:N         1:ARG+_8:CA        180.000 180.000 100.00 100.00 1000.000
1:ARG+_8:CA        1:ARG+_8:C         1:ARG+_9:N         1:ARG+_9:CA        180.000 180.000 100.00 100.00 1000.000
1:ARG+_9:CA        1:ARG+_9:C         1:PRO_10:N         1:PRO_10:CA        180.000 180.000 100.00 100.00 1000.000
1:PRO_10:CA        1:PRO_10:C         1:TYR_11:N         1:TYR_11:CA        180.000 180.000 100.00 100.00 1000.000
1:TYR_11:CA        1:TYR_11:C         1:ILE_12:N         1:ILE_12:CA        180.000 180.000 100.00 100.00 1000.000
1:ILE_12:CA        1:ILE_12:C         1:LEUC_13:N        1:LEUC_13:CA       180.000 180.000 100.00 100.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           HN       PCA   1  12.164 -17.327   4.949
    2    HA   PCA   1           HA       PCA   1  10.239 -15.540   4.804
    3   1HB   PCA   1          1HB       PCA   1   8.618 -16.179   3.274
    4   2HB   PCA   1          2HB       PCA   1   8.702 -17.742   3.739
    5   1HG   PCA   1          1HG       PCA   1   9.860 -17.987   1.786
    6   2HG   PCA   1          2HG       PCA   1  10.318 -16.419   1.764
    7    H    LEU   2           H        LEU   2   8.816 -15.281   6.557
    8    HA   LEU   2           HA       LEU   2   9.215 -17.068   8.683
    9   1HB   LEU   2          1HB       LEU   2  10.484 -15.040   9.146
   10   2HB   LEU   2          2HB       LEU   2   9.093 -14.193   9.015
   11    HG   LEU   2           HG       LEU   2   8.273 -15.402  10.933
   12   1HD1  LEU   2          1HD1      LEU   2   9.822 -16.488  12.397
   13   2HD1  LEU   2          2HD1      LEU   2  10.995 -16.302  11.276
   14   3HD1  LEU   2          3HD1      LEU   2   9.717 -17.270  10.968
   15   1HD2  LEU   2          1HD2      LEU   2   9.499 -14.068  12.545
   16   2HD2  LEU   2          2HD2      LEU   2   9.119 -13.179  11.229
   17   3HD2  LEU   2          3HD2      LEU   2  10.632 -13.767  11.408
   18    H    TYR   3           H        TYR   3   7.020 -14.530   7.543
   19    HA   TYR   3           HA       TYR   3   4.740 -16.094   8.550
   20   1HB   TYR   3          1HB       TYR   3   5.043 -13.748   9.200
   21   2HB   TYR   3          2HB       TYR   3   4.761 -13.352   7.641
   22    HD1  TYR   3           HD1      TYR   3   2.474 -13.471   6.706
   23    HD2  TYR   3           HD2      TYR   3   3.208 -14.417  10.680
   24    HE1  TYR   3           HE1      TYR   3   0.126 -13.409   7.159
   25    HE2  TYR   3           HE2      TYR   3   0.861 -14.335  11.130
   26    HH   TYR   3           HH       TYR   3  -1.191 -14.024  10.418
   27    H    GLU   4           H        GLU   4   4.105 -17.694   7.165
   28    HA   GLU   4           HA       GLU   4   3.907 -17.135   4.351
   29   1HB   GLU   4          1HB       GLU   4   3.280 -19.345   4.056
   30   2HB   GLU   4          2HB       GLU   4   4.612 -19.274   4.998
   31   1HG   GLU   4          1HG       GLU   4   3.416 -19.936   6.868
   32   2HG   GLU   4          2HG       GLU   4   1.994 -19.777   6.080
   33    H    ASN   5           H        ASN   5   2.407 -15.928   3.388
   34    HA   ASN   5           HA       ASN   5  -0.346 -15.924   4.424
   35   1HB   ASN   5          1HB       ASN   5   0.856 -13.838   4.014
   36   2HB   ASN   5          2HB       ASN   5   0.795 -14.199   2.422
   37   1HD2  ASN   5          1HD2      ASN   5  -0.937 -12.878   5.060
   38   2HD2  ASN   5          2HD2      ASN   5  -2.385 -12.504   4.185
   39    H    LYS   6           H        LYS   6  -1.384 -17.809   3.853
   40    HA   LYS   6           HA       LYS   6  -1.199 -18.746   1.134
   41   1HB   LYS   6          1HB       LYS   6  -2.394 -20.601   1.798
   42   2HB   LYS   6          2HB       LYS   6  -1.211 -20.320   2.889
   43   1HG   LYS   6          1HG       LYS   6  -2.848 -19.471   4.408
   44   2HG   LYS   6          2HG       LYS   6  -4.016 -19.830   3.324
   45   1HD   LYS   6          1HD       LYS   6  -2.336 -21.853   4.500
   46   2HD   LYS   6          2HD       LYS   6  -3.782 -21.441   5.139
   47   1HE   LYS   6          1HE       LYS   6  -4.864 -22.205   3.138
   48   2HE   LYS   6          2HE       LYS   6  -3.413 -22.658   2.541
   49   1HZ   LYS   6          1HZ       LYS   6  -4.525 -24.506   3.475
   50   2HZ   LYS   6          2HZ       LYS   6  -4.611 -23.731   4.909
   51   3HZ   LYS   6          3HZ       LYS   6  -3.161 -24.184   4.312
   52    HA   PRO   7           HA       PRO   7  -4.597 -16.182  -0.195
   53   1HB   PRO   7          1HB       PRO   7  -4.373 -16.469  -2.820
   54   2HB   PRO   7          2HB       PRO   7  -3.226 -15.621  -2.025
   55   1HG   PRO   7          1HG       PRO   7  -3.077 -18.383  -2.874
   56   2HG   PRO   7          2HG       PRO   7  -1.929 -17.235  -3.049
   57   1HD   PRO   7          1HD       PRO   7  -1.799 -18.939  -1.060
   58   2HD   PRO   7          2HD       PRO   7  -1.254 -17.411  -0.871
   59    H    ARG   8           H        ARG   8  -6.686 -16.060  -0.617
   60    HA   ARG   8           HA       ARG   8  -8.039 -18.581  -1.243
   61   1HB   ARG   8          1HB       ARG   8  -8.646 -16.871   0.998
   62   2HB   ARG   8          2HB       ARG   8  -9.702 -17.990   0.452
   63   1HG   ARG   8          1HG       ARG   8  -8.177 -19.720   1.047
   64   2HG   ARG   8          2HG       ARG   8  -7.121 -18.601   1.593
   65   1HD   ARG   8          1HD       ARG   8  -9.720 -18.918   2.795
   66   2HD   ARG   8          2HD       ARG   8  -8.426 -19.758   3.330
   67    HE   ARG   8           HE       ARG   8  -8.835 -16.901   3.621
   68   1HH1  ARG   8          1HH1      ARG   8  -6.800 -19.667   4.501
   69   2HH1  ARG   8          2HH1      ARG   8  -5.932 -18.733   5.673
   70   1HH2  ARG   8          1HH2      ARG   8  -7.664 -15.823   5.107
   71   2HH2  ARG   8          2HH2      ARG   8  -6.411 -16.610   6.007
   72    H    ARG   9           H        ARG   9  -9.219 -18.364  -3.105
   73    HA   ARG   9           HA       ARG   9 -10.316 -15.793  -3.842
   74   1HB   ARG   9          1HB       ARG   9 -10.336 -18.335  -5.218
   75   2HB   ARG   9          2HB       ARG   9 -11.059 -17.004  -5.830
   76   1HG   ARG   9          1HG       ARG   9  -8.219 -17.114  -5.383
   77   2HG   ARG   9          2HG       ARG   9  -8.888 -17.559  -6.805
   78   1HD   ARG   9          1HD       ARG   9  -9.694 -15.322  -7.110
   79   2HD   ARG   9          2HD       ARG   9  -8.984 -14.884  -5.706
   80    HE   ARG   9           HE       ARG   9  -6.974 -16.011  -7.200
   81   1HH1  ARG   9          1HH1      ARG   9  -9.011 -13.129  -7.555
   82   2HH1  ARG   9          2HH1      ARG   9  -7.805 -12.313  -8.493
   83   1HH2  ARG   9          1HH2      ARG   9  -5.524 -14.882  -8.382
   84   2HH2  ARG   9          2HH2      ARG   9  -5.876 -13.284  -8.949
   85    HA   PRO  10           HA       PRO  10 -14.235 -16.935  -1.869
   86   1HB   PRO  10          1HB       PRO  10 -15.541 -14.624  -2.078
   87   2HB   PRO  10          2HB       PRO  10 -14.324 -14.755  -0.997
   88   1HG   PRO  10          1HG       PRO  10 -14.207 -13.562  -3.625
   89   2HG   PRO  10          2HG       PRO  10 -13.563 -12.976  -2.243
   90   1HD   PRO  10          1HD       PRO  10 -12.074 -14.287  -3.971
   91   2HD   PRO  10          2HD       PRO  10 -11.743 -14.343  -2.373
   92    H    TYR  11           H        TYR  11 -14.686 -15.505  -5.028
   93    HA   TYR  11           HA       TYR  11 -16.919 -17.286  -5.490
   94   1HB   TYR  11          1HB       TYR  11 -17.253 -16.159  -7.479
   95   2HB   TYR  11          2HB       TYR  11 -17.050 -15.058  -6.289
   96    HD1  TYR  11           HD1      TYR  11 -15.138 -13.508  -6.321
   97    HD2  TYR  11           HD2      TYR  11 -15.687 -16.289  -9.353
   98    HE1  TYR  11           HE1      TYR  11 -13.500 -12.386  -7.651
   99    HE2  TYR  11           HE2      TYR  11 -14.051 -15.159 -10.682
  100    HH   TYR  11           HH       TYR  11 -12.598 -13.503 -10.906
  101    H    ILE  12           H        ILE  12 -16.970 -19.265  -6.328
  102    HA   ILE  12           HA       ILE  12 -14.586 -20.298  -7.747
  103    HB   ILE  12           HB       ILE  12 -16.587 -21.774  -6.394
  104   1HG1  ILE  12          1HG1      ILE  12 -13.813 -21.742  -5.595
  105   2HG1  ILE  12          2HG1      ILE  12 -14.896 -20.704  -4.949
  106   1HG2  ILE  12          1HG2      ILE  12 -15.246 -23.753  -6.880
  107   2HG2  ILE  12          2HG2      ILE  12 -14.247 -22.825  -7.779
  108   3HG2  ILE  12          3HG2      ILE  12 -15.793 -23.058  -8.252
  109   1HD1  ILE  12          1HD1      ILE  12 -14.534 -22.529  -3.474
  110   2HD1  ILE  12          2HD1      ILE  12 -14.999 -23.575  -4.637
  111   3HD1  ILE  12          3HD1      ILE  12 -16.082 -22.538  -3.992
  112    H    LEU  13           H        LEU  13 -14.807 -19.722  -9.904
  113    HA   LEU  13           HA       LEU  13 -17.413 -20.019 -11.217
  114   1HB   LEU  13          1HB       LEU  13 -16.183 -17.896 -11.309
  115   2HB   LEU  13          2HB       LEU  13 -15.055 -18.666 -12.204
  116    HG   LEU  13           HG       LEU  13 -16.806 -19.061 -13.850
  117   1HD1  LEU  13          1HD1      LEU  13 -18.710 -17.608 -13.853
  118   2HD1  LEU  13          2HD1      LEU  13 -18.274 -17.051 -12.382
  119   3HD1  LEU  13          3HD1      LEU  13 -18.737 -18.606 -12.562
  120   1HD2  LEU  13          1HD2      LEU  13 -16.594 -16.859 -14.833
  121   2HD2  LEU  13          2HD2      LEU  13 -15.159 -17.372 -14.247
  122   3HD2  LEU  13          3HD2      LEU  13 -16.046 -16.291 -13.404
  123    HXT  LEU  13           HXT      LEU  13 -16.567 -22.681 -13.163
  Start of MODEL    2
    1    HN   PCA   1           HN       PCA   1 -13.796  -9.180  12.343
    2    HA   PCA   1           HA       PCA   1 -13.614  -9.959   9.835
    3   1HB   PCA   1          1HB       PCA   1 -12.854  -8.232   8.481
    4   2HB   PCA   1          2HB       PCA   1 -11.800  -7.718   9.618
    5   1HG   PCA   1          1HG       PCA   1 -13.350  -6.067   9.926
    6   2HG   PCA   1          2HG       PCA   1 -14.568  -6.987   9.343
    7    H    LEU   2           H        LEU   2 -12.048 -11.454   9.249
    8    HA   LEU   2           HA       LEU   2 -10.181 -12.164  11.216
    9   1HB   LEU   2          1HB       LEU   2 -12.028 -13.764  11.346
   10   2HB   LEU   2          2HB       LEU   2 -11.733 -14.137   9.784
   11    HG   LEU   2           HG       LEU   2  -9.524 -14.869  10.495
   12   1HD1  LEU   2          1HD1      LEU   2  -9.199 -15.471  12.787
   13   2HD1  LEU   2          2HD1      LEU   2 -10.621 -14.765  13.165
   14   3HD1  LEU   2          3HD1      LEU   2  -9.377 -13.857  12.625
   15   1HD2  LEU   2          1HD2      LEU   2 -10.310 -17.029  11.258
   16   2HD2  LEU   2          2HD2      LEU   2 -11.217 -16.493  10.011
   17   3HD2  LEU   2          3HD2      LEU   2 -11.780 -16.377  11.540
   18    H    TYR   3           H        TYR   3  -8.192 -11.910  10.419
   19    HA   TYR   3           HA       TYR   3  -7.839 -11.743   7.540
   20   1HB   TYR   3          1HB       TYR   3  -5.779 -10.739   8.006
   21   2HB   TYR   3          2HB       TYR   3  -6.984  -9.966   8.792
   22    HD1  TYR   3           HD1      TYR   3  -7.046  -9.905  11.252
   23    HD2  TYR   3           HD2      TYR   3  -3.943 -11.784   9.235
   24    HE1  TYR   3           HE1      TYR   3  -5.770  -9.975  13.274
   25    HE2  TYR   3           HE2      TYR   3  -2.672 -11.849  11.260
   26    HH   TYR   3           HH       TYR   3  -2.500 -11.394  13.402
   27    H    GLU   4           H        GLU   4  -7.603 -13.524   6.311
   28    HA   GLU   4           HA       GLU   4  -6.058 -15.704   7.264
   29   1HB   GLU   4          1HB       GLU   4  -7.304 -15.229   4.721
   30   2HB   GLU   4          2HB       GLU   4  -6.238 -16.458   4.863
   31   1HG   GLU   4          1HG       GLU   4  -7.744 -17.312   6.648
   32   2HG   GLU   4          2HG       GLU   4  -8.848 -16.272   6.041
   33    H    ASN   5           H        ASN   5  -3.865 -16.017   7.254
   34    HA   ASN   5           HA       ASN   5  -2.111 -14.448   5.615
   35   1HB   ASN   5          1HB       ASN   5  -1.676 -15.503   7.866
   36   2HB   ASN   5          2HB       ASN   5  -1.448 -16.894   7.040
   37   1HD2  ASN   5          1HD2      ASN   5   0.457 -17.040   5.530
   38   2HD2  ASN   5          2HD2      ASN   5   1.836 -16.071   5.930
   39    H    LYS   6           H        LYS   6  -3.558 -17.523   4.904
   40    HA   LYS   6           HA       LYS   6  -1.922 -17.813   2.532
   41   1HB   LYS   6          1HB       LYS   6  -3.889 -19.554   3.719
   42   2HB   LYS   6          2HB       LYS   6  -3.245 -19.875   2.253
   43   1HG   LYS   6          1HG       LYS   6  -2.043 -21.234   3.563
   44   2HG   LYS   6          2HG       LYS   6  -1.064 -19.930   3.487
   45   1HD   LYS   6          1HD       LYS   6  -1.740 -19.251   5.640
   46   2HD   LYS   6          2HD       LYS   6  -2.820 -20.475   5.713
   47   1HE   LYS   6          1HE       LYS   6  -1.022 -22.053   5.712
   48   2HE   LYS   6          2HE       LYS   6   0.052 -20.823   5.660
   49   1HZ   LYS   6          1HZ       LYS   6  -0.189 -21.604   7.864
   50   2HZ   LYS   6          2HZ       LYS   6  -1.790 -21.293   7.800
   51   3HZ   LYS   6          3HZ       LYS   6  -0.717 -20.064   7.748
   52    HA   PRO   7           HA       PRO   7  -5.070 -15.677   0.124
   53   1HB   PRO   7          1HB       PRO   7  -4.052 -15.876  -2.319
   54   2HB   PRO   7          2HB       PRO   7  -3.316 -14.908  -1.229
   55   1HG   PRO   7          1HG       PRO   7  -2.560 -17.601  -1.963
   56   2HG   PRO   7          2HG       PRO   7  -1.572 -16.312  -1.785
   57   1HD   PRO   7          1HD       PRO   7  -1.824 -18.050   0.157
   58   2HD   PRO   7          2HD       PRO   7  -1.582 -16.471   0.499
   59    H    ARG   8           H        ARG   8  -7.054 -16.144   0.012
   60    HA   ARG   8           HA       ARG   8  -7.840 -18.571  -1.438
   61   1HB   ARG   8          1HB       ARG   8  -9.004 -17.462   0.966
   62   2HB   ARG   8          2HB       ARG   8  -9.706 -18.671   0.122
   63   1HG   ARG   8          1HG       ARG   8  -7.152 -18.962   1.411
   64   2HG   ARG   8          2HG       ARG   8  -8.555 -19.383   2.132
   65   1HD   ARG   8          1HD       ARG   8  -7.612 -20.658  -0.271
   66   2HD   ARG   8          2HD       ARG   8  -7.302 -21.250   1.219
   67    HE   ARG   8           HE       ARG   8  -9.769 -21.465  -0.215
   68   1HH1  ARG   8          1HH1      ARG   8  -8.394 -21.679   3.047
   69   2HH1  ARG   8          2HH1      ARG   8  -9.687 -22.690   3.599
   70   1HH2  ARG   8          1HH2      ARG   8 -11.328 -22.777   0.578
   71   2HH2  ARG   8          2HH2      ARG   8 -11.312 -23.297   2.230
   72    H    ARG   9           H        ARG   9  -9.085 -18.318  -3.260
   73    HA   ARG   9           HA       ARG   9 -10.347 -15.779  -3.759
   74   1HB   ARG   9          1HB       ARG   9 -10.138 -18.153  -5.392
   75   2HB   ARG   9          2HB       ARG   9 -10.988 -16.847  -5.882
   76   1HG   ARG   9          1HG       ARG   9  -8.972 -15.563  -5.923
   77   2HG   ARG   9          2HG       ARG   9  -8.130 -16.883  -5.461
   78   1HD   ARG   9          1HD       ARG   9  -8.693 -17.969  -7.510
   79   2HD   ARG   9          2HD       ARG   9  -9.557 -16.662  -7.971
   80    HE   ARG   9           HE       ARG   9  -7.023 -15.727  -7.414
   81   1HH1  ARG   9          1HH1      ARG   9  -8.450 -17.850  -9.870
   82   2HH1  ARG   9          2HH1      ARG   9  -7.198 -17.483 -11.010
   83   1HH2  ARG   9          1HH2      ARG   9  -5.498 -15.336  -8.932
   84   2HH2  ARG   9          2HH2      ARG   9  -5.566 -16.092 -10.489
   85    HA   PRO  10           HA       PRO  10 -14.236 -17.389  -2.052
   86   1HB   PRO  10          1HB       PRO  10 -15.607 -15.113  -1.847
   87   2HB   PRO  10          2HB       PRO  10 -14.412 -15.427  -0.778
   88   1HG   PRO  10          1HG       PRO  10 -14.266 -13.741  -3.118
   89   2HG   PRO  10          2HG       PRO  10 -13.673 -13.422  -1.630
   90   1HD   PRO  10          1HD       PRO  10 -12.100 -14.330  -3.528
   91   2HD   PRO  10          2HD       PRO  10 -11.818 -14.710  -1.965
   92    H    TYR  11           H        TYR  11 -14.681 -15.401  -4.896
   93    HA   TYR  11           HA       TYR  11 -16.942 -17.053  -5.664
   94   1HB   TYR  11          1HB       TYR  11 -17.347 -15.542  -7.347
   95   2HB   TYR  11          2HB       TYR  11 -17.166 -14.741  -5.935
   96    HD1  TYR  11           HD1      TYR  11 -15.252 -13.195  -5.605
   97    HD2  TYR  11           HD2      TYR  11 -15.921 -15.072  -9.246
   98    HE1  TYR  11           HE1      TYR  11 -13.714 -11.700  -6.664
   99    HE2  TYR  11           HE2      TYR  11 -14.380 -13.576 -10.298
  100    HH   TYR  11           HH       TYR  11 -12.978 -11.872 -10.139
  101    H    ILE  12           H        ILE  12 -16.459 -19.101  -6.159
  102    HA   ILE  12           HA       ILE  12 -14.914 -19.473  -8.597
  103    HB   ILE  12           HB       ILE  12 -13.999 -21.511  -7.839
  104   1HG1  ILE  12          1HG1      ILE  12 -14.236 -20.649  -5.124
  105   2HG1  ILE  12          2HG1      ILE  12 -15.244 -21.750  -5.788
  106   1HG2  ILE  12          1HG2      ILE  12 -12.029 -20.453  -6.859
  107   2HG2  ILE  12          2HG2      ILE  12 -12.897 -19.083  -6.672
  108   3HG2  ILE  12          3HG2      ILE  12 -12.563 -19.640  -8.170
  109   1HD1  ILE  12          1HD1      ILE  12 -13.560 -22.845  -4.522
  110   2HD1  ILE  12          2HD1      ILE  12 -12.403 -22.142  -5.434
  111   3HD1  ILE  12          3HD1      ILE  12 -13.411 -23.242  -6.098
  112    H    LEU  13           H        LEU  13 -16.015 -20.596 -10.176
  113    HA   LEU  13           HA       LEU  13 -18.396 -22.111  -9.406
  114   1HB   LEU  13          1HB       LEU  13 -17.832 -20.765 -11.896
  115   2HB   LEU  13          2HB       LEU  13 -19.143 -21.714 -11.672
  116    HG   LEU  13           HG       LEU  13 -18.726 -19.276 -10.227
  117   1HD1  LEU  13          1HD1      LEU  13 -20.333 -18.246 -11.722
  118   2HD1  LEU  13          2HD1      LEU  13 -20.378 -19.625 -12.595
  119   3HD1  LEU  13          3HD1      LEU  13 -19.010 -18.735 -12.544
  120   1HD2  LEU  13          1HD2      LEU  13 -21.052 -19.379  -9.674
  121   2HD2  LEU  13          2HD2      LEU  13 -20.254 -20.685  -9.105
  122   3HD2  LEU  13          3HD2      LEU  13 -21.163 -20.809 -10.456
  123    HXT  LEU  13           HXT      LEU  13 -15.984 -24.090 -11.812
  Start of MODEL    3
    1    HN   PCA   1           HN       PCA   1   1.571 -26.545  -7.250
    2    HA   PCA   1           HA       PCA   1   0.926 -24.302  -8.464
    3   1HB   PCA   1          1HB       PCA   1  -0.252 -22.894  -7.049
    4   2HB   PCA   1          2HB       PCA   1   0.691 -23.279  -5.773
    5   1HG   PCA   1          1HG       PCA   1  -1.120 -24.524  -5.148
    6   2HG   PCA   1          2HG       PCA   1  -1.666 -24.654  -6.681
    7    H    LEU   2           H        LEU   2   2.552 -22.837  -9.011
    8    HA   LEU   2           HA       LEU   2   5.130 -23.484  -8.107
    9   1HB   LEU   2          1HB       LEU   2   4.902 -24.347 -10.365
   10   2HB   LEU   2          2HB       LEU   2   4.517 -22.839 -10.862
   11    HG   LEU   2           HG       LEU   2   6.735 -22.149 -10.195
   12   1HD1  LEU   2          1HD1      LEU   2   8.451 -23.796  -9.947
   13   2HD1  LEU   2          2HD1      LEU   2   7.316 -24.969  -9.983
   14   3HD1  LEU   2          3HD1      LEU   2   7.353 -23.906  -8.744
   15   1HD2  LEU   2          1HD2      LEU   2   7.811 -23.026 -12.181
   16   2HD2  LEU   2          2HD2      LEU   2   6.283 -22.557 -12.512
   17   3HD2  LEU   2          3HD2      LEU   2   6.625 -24.140 -12.311
   18    H    TYR   3           H        TYR   3   3.386 -20.899  -9.800
   19    HA   TYR   3           HA       TYR   3   4.772 -18.904  -8.154
   20   1HB   TYR   3          1HB       TYR   3   4.635 -18.700 -10.594
   21   2HB   TYR   3          2HB       TYR   3   3.031 -18.452 -10.412
   22    HD1  TYR   3           HD1      TYR   3   2.186 -16.301  -9.497
   23    HD2  TYR   3           HD2      TYR   3   6.246 -16.933 -10.091
   24    HE1  TYR   3           HE1      TYR   3   2.595 -13.960  -9.228
   25    HE2  TYR   3           HE2      TYR   3   6.646 -14.590  -9.831
   26    HH   TYR   3           HH       TYR   3   5.853 -12.556  -9.461
   27    H    GLU   4           H        GLU   4   3.937 -18.810  -6.083
   28    HA   GLU   4           HA       GLU   4   1.084 -18.471  -5.732
   29   1HB   GLU   4          1HB       GLU   4   2.382 -19.648  -4.108
   30   2HB   GLU   4          2HB       GLU   4   3.184 -18.266  -3.772
   31   1HG   GLU   4          1HG       GLU   4   1.553 -18.804  -2.106
   32   2HG   GLU   4          2HG       GLU   4   1.299 -17.336  -2.776
   33    H    ASN   5           H        ASN   5  -0.152 -16.763  -5.190
   34    HA   ASN   5           HA       ASN   5   0.927 -14.080  -5.257
   35   1HB   ASN   5          1HB       ASN   5   0.732 -14.784  -7.595
   36   2HB   ASN   5          2HB       ASN   5  -0.884 -14.839  -7.367
   37   1HD2  ASN   5          1HD2      ASN   5  -2.146 -12.914  -7.367
   38   2HD2  ASN   5          2HD2      ASN   5  -1.424 -11.402  -7.806
   39    H    LYS   6           H        LYS   6  -2.245 -15.692  -5.470
   40    HA   LYS   6           HA       LYS   6  -3.057 -14.369  -2.997
   41   1HB   LYS   6          1HB       LYS   6  -3.766 -12.919  -4.786
   42   2HB   LYS   6          2HB       LYS   6  -4.725 -14.129  -5.318
   43   1HG   LYS   6          1HG       LYS   6  -5.931 -14.033  -3.227
   44   2HG   LYS   6          2HG       LYS   6  -5.024 -12.744  -2.798
   45   1HD   LYS   6          1HD       LYS   6  -5.924 -11.517  -4.645
   46   2HD   LYS   6          2HD       LYS   6  -6.858 -12.801  -5.029
   47   1HE   LYS   6          1HE       LYS   6  -8.306 -11.417  -3.940
   48   2HE   LYS   6          2HE       LYS   6  -7.887 -12.489  -2.781
   49   1HZ   LYS   6          1HZ       LYS   6  -7.803 -10.300  -1.937
   50   2HZ   LYS   6          2HZ       LYS   6  -6.730  -9.890  -3.097
   51   3HZ   LYS   6          3HZ       LYS   6  -6.311 -10.962  -1.938
   52    HA   PRO   7           HA       PRO   7  -4.333 -18.747  -2.941
   53   1HB   PRO   7          1HB       PRO   7  -4.093 -19.214  -0.323
   54   2HB   PRO   7          2HB       PRO   7  -2.781 -19.246  -1.296
   55   1HG   PRO   7          1HG       PRO   7  -3.638 -17.088   0.415
   56   2HG   PRO   7          2HG       PRO   7  -2.114 -17.631   0.191
   57   1HD   PRO   7          1HD       PRO   7  -2.941 -15.494  -1.070
   58   2HD   PRO   7          2HD       PRO   7  -1.877 -16.505  -1.786
   59    H    ARG   8           H        ARG   8  -5.927 -16.819  -0.456
   60    HA   ARG   8           HA       ARG   8  -8.298 -18.391  -0.811
   61   1HB   ARG   8          1HB       ARG   8  -9.233 -17.242   0.937
   62   2HB   ARG   8          2HB       ARG   8  -7.702 -17.635   1.348
   63   1HG   ARG   8          1HG       ARG   8  -7.038 -15.378   1.086
   64   2HG   ARG   8          2HG       ARG   8  -8.552 -14.974   0.625
   65   1HD   ARG   8          1HD       ARG   8  -9.363 -15.579   2.800
   66   2HD   ARG   8          2HD       ARG   8  -7.839 -15.947   3.258
   67    HE   ARG   8           HE       ARG   8  -7.805 -13.323   2.350
   68   1HH1  ARG   8          1HH1      ARG   8  -9.063 -15.080   5.163
   69   2HH1  ARG   8          2HH1      ARG   8  -9.027 -13.658   6.151
   70   1HH2  ARG   8          1HH2      ARG   8  -7.807 -11.591   3.693
   71   2HH2  ARG   8          2HH2      ARG   8  -8.332 -11.731   5.337
   72    H    ARG   9           H        ARG   9  -9.887 -18.300  -2.184
   73    HA   ARG   9           HA       ARG   9 -10.392 -15.793  -3.631
   74   1HB   ARG   9          1HB       ARG   9 -10.275 -18.432  -4.787
   75   2HB   ARG   9          2HB       ARG   9 -10.803 -17.113  -5.592
   76   1HG   ARG   9          1HG       ARG   9  -8.605 -16.173  -5.467
   77   2HG   ARG   9          2HG       ARG   9  -8.084 -17.518  -4.700
   78   1HD   ARG   9          1HD       ARG   9  -8.595 -18.803  -6.673
   79   2HD   ARG   9          2HD       ARG   9  -9.018 -17.422  -7.436
   80    HE   ARG   9           HE       ARG   9  -6.421 -17.167  -6.379
   81   1HH1  ARG   9          1HH1      ARG   9  -8.067 -18.576  -9.187
   82   2HH1  ARG   9          2HH1      ARG   9  -6.614 -18.561 -10.129
   83   1HH2  ARG   9          1HH2      ARG   9  -4.648 -17.214  -7.649
   84   2HH2  ARG   9          2HH2      ARG   9  -4.721 -17.806  -9.275
   85    HA   PRO  10           HA       PRO  10 -14.417 -16.932  -1.870
   86   1HB   PRO  10          1HB       PRO  10 -15.727 -14.626  -2.163
   87   2HB   PRO  10          2HB       PRO  10 -14.569 -14.744  -1.018
   88   1HG   PRO  10          1HG       PRO  10 -14.314 -13.571  -3.646
   89   2HG   PRO  10          2HG       PRO  10 -13.750 -12.971  -2.235
   90   1HD   PRO  10          1HD       PRO  10 -12.159 -14.284  -3.864
   91   2HD   PRO  10          2HD       PRO  10 -11.923 -14.338  -2.248
   92    H    TYR  11           H        TYR  11 -14.726 -15.552  -5.065
   93    HA   TYR  11           HA       TYR  11 -16.968 -17.313  -5.564
   94   1HB   TYR  11          1HB       TYR  11 -17.238 -16.206  -7.584
   95   2HB   TYR  11          2HB       TYR  11 -17.100 -15.106  -6.385
   96    HD1  TYR  11           HD1      TYR  11 -15.534 -16.354  -9.360
   97    HD2  TYR  11           HD2      TYR  11 -15.276 -13.484  -6.374
   98    HE1  TYR  11           HE1      TYR  11 -13.890 -15.174 -10.633
   99    HE2  TYR  11           HE2      TYR  11 -13.640 -12.301  -7.657
  100    HH   TYR  11           HH       TYR  11 -12.414 -12.145  -9.497
  101    H    ILE  12           H        ILE  12 -17.049 -19.265  -6.462
  102    HA   ILE  12           HA       ILE  12 -14.622 -20.355  -7.764
  103    HB   ILE  12           HB       ILE  12 -16.718 -21.785  -6.506
  104   1HG1  ILE  12          1HG1      ILE  12 -13.983 -21.814  -5.580
  105   2HG1  ILE  12          2HG1      ILE  12 -15.074 -20.754  -4.983
  106   1HG2  ILE  12          1HG2      ILE  12 -15.401 -23.794  -6.931
  107   2HG2  ILE  12          2HG2      ILE  12 -14.341 -22.889  -7.782
  108   3HG2  ILE  12          3HG2      ILE  12 -15.868 -23.086  -8.326
  109   1HD1  ILE  12          1HD1      ILE  12 -14.817 -22.587  -3.496
  110   2HD1  ILE  12          2HD1      ILE  12 -15.249 -23.622  -4.682
  111   3HD1  ILE  12          3HD1      ILE  12 -16.339 -22.564  -4.085
  112    H    LEU  13           H        LEU  13 -14.713 -19.797  -9.923
  113    HA   LEU  13           HA       LEU  13 -17.230 -20.186 -11.428
  114   1HB   LEU  13          1HB       LEU  13 -16.174 -17.949 -11.264
  115   2HB   LEU  13          2HB       LEU  13 -15.024 -18.554 -12.254
  116    HG   LEU  13           HG       LEU  13 -17.767 -18.434 -13.032
  117   1HD1  LEU  13          1HD1      LEU  13 -17.245 -16.376 -14.238
  118   2HD1  LEU  13          2HD1      LEU  13 -15.746 -16.404 -13.590
  119   3HD1  LEU  13          3HD1      LEU  13 -17.046 -16.171 -12.630
  120   1HD2  LEU  13          1HD2      LEU  13 -16.987 -18.547 -15.290
  121   2HD2  LEU  13          2HD2      LEU  13 -16.529 -19.861 -14.436
  122   3HD2  LEU  13          3HD2      LEU  13 -15.455 -18.670 -14.741
  123    HXT  LEU  13           HXT      LEU  13 -14.184 -22.040 -13.031
  Start of MODEL    4
    1    HN   PCA   1           HN       PCA   1   8.531 -18.243   6.364
    2    HA   PCA   1           HA       PCA   1  10.974 -18.935   6.939
    3   1HB   PCA   1          1HB       PCA   1   9.724 -20.532   9.017
    4   2HB   PCA   1          2HB       PCA   1  11.137 -19.722   9.142
    5   1HG   PCA   1          1HG       PCA   1   8.899 -18.811  10.257
    6   2HG   PCA   1          2HG       PCA   1  10.105 -17.804   9.811
    7    H    LEU   2           H        LEU   2   8.363 -20.678   5.832
    8    HA   LEU   2           HA       LEU   2   9.726 -22.586   4.741
    9   1HB   LEU   2          1HB       LEU   2   9.775 -23.688   6.901
   10   2HB   LEU   2          2HB       LEU   2   8.151 -23.831   6.811
   11    HG   LEU   2           HG       LEU   2   8.486 -25.204   4.840
   12   1HD1  LEU   2          1HD1      LEU   2  10.615 -26.261   4.523
   13   2HD1  LEU   2          2HD1      LEU   2  11.252 -25.301   5.680
   14   3HD1  LEU   2          3HD1      LEU   2  10.720 -24.649   4.281
   15   1HD2  LEU   2          1HD2      LEU   2   9.003 -27.202   6.108
   16   2HD2  LEU   2          2HD2      LEU   2   7.965 -26.248   6.932
   17   3HD2  LEU   2          3HD2      LEU   2   9.549 -26.267   7.329
   18    H    TYR   3           H        TYR   3   6.363 -22.288   5.869
   19    HA   TYR   3           HA       TYR   3   5.433 -23.023   3.235
   20   1HB   TYR   3          1HB       TYR   3   4.113 -22.677   5.779
   21   2HB   TYR   3          2HB       TYR   3   3.218 -22.802   4.418
   22    HD1  TYR   3           HD1      TYR   3   3.073 -24.948   3.203
   23    HD2  TYR   3           HD2      TYR   3   5.118 -24.663   6.804
   24    HE1  TYR   3           HE1      TYR   3   3.058 -27.330   3.403
   25    HE2  TYR   3           HE2      TYR   3   5.102 -27.047   6.997
   26    HH   TYR   3           HH       TYR   3   4.511 -29.022   6.169
   27    H    GLU   4           H        GLU   4   5.410 -21.573   1.604
   28    HA   GLU   4           HA       GLU   4   4.581 -18.816   2.052
   29   1HB   GLU   4          1HB       GLU   4   6.383 -19.428   0.542
   30   2HB   GLU   4          2HB       GLU   4   5.269 -20.137  -0.420
   31   1HG   GLU   4          1HG       GLU   4   5.792 -18.076  -1.355
   32   2HG   GLU   4          2HG       GLU   4   4.266 -17.983  -0.779
   33    H    ASN   5           H        ASN   5   2.504 -18.483   2.626
   34    HA   ASN   5           HA       ASN   5   0.421 -20.158   1.494
   35   1HB   ASN   5          1HB       ASN   5   0.630 -19.597   3.893
   36   2HB   ASN   5          2HB       ASN   5   0.137 -18.091   3.498
   37   1HD2  ASN   5          1HD2      ASN   5  -0.886 -21.387   3.874
   38   2HD2  ASN   5          2HD2      ASN   5  -2.584 -21.051   3.845
   39    H    LYS   6           H        LYS   6  -0.749 -19.833  -0.253
   40    HA   LYS   6           HA       LYS   6  -0.857 -17.167  -1.403
   41   1HB   LYS   6          1HB       LYS   6  -1.576 -19.748  -2.494
   42   2HB   LYS   6          2HB       LYS   6  -1.801 -18.357  -3.319
   43   1HG   LYS   6          1HG       LYS   6   0.554 -18.012  -3.391
   44   2HG   LYS   6          2HG       LYS   6   0.785 -19.394  -2.552
   45   1HD   LYS   6          1HD       LYS   6  -0.080 -20.656  -4.366
   46   2HD   LYS   6          2HD       LYS   6  -0.356 -19.281  -5.203
   47   1HE   LYS   6          1HE       LYS   6   1.563 -20.199  -6.109
   48   2HE   LYS   6          2HE       LYS   6   2.062 -18.923  -5.220
   49   1HZ   LYS   6          1HZ       LYS   6   3.443 -20.779  -4.830
   50   2HZ   LYS   6          2HZ       LYS   6   2.146 -21.649  -4.354
   51   3HZ   LYS   6          3HZ       LYS   6   2.644 -20.373  -3.465
   52    HA   PRO   7           HA       PRO   7  -4.924 -16.539   0.442
   53   1HB   PRO   7          1HB       PRO   7  -4.929 -14.219  -1.350
   54   2HB   PRO   7          2HB       PRO   7  -5.340 -14.206   0.230
   55   1HG   PRO   7          1HG       PRO   7  -3.042 -13.264  -0.419
   56   2HG   PRO   7          2HG       PRO   7  -3.133 -14.197   0.918
   57   1HD   PRO   7          1HD       PRO   7  -2.151 -14.952  -1.680
   58   2HD   PRO   7          2HD       PRO   7  -1.579 -15.425  -0.225
   59    H    ARG   8           H        ARG   8  -6.815 -17.357   0.314
   60    HA   ARG   8           HA       ARG   8  -7.658 -18.296  -2.278
   61   1HB   ARG   8          1HB       ARG   8  -8.666 -18.820   0.380
   62   2HB   ARG   8          2HB       ARG   8  -9.398 -19.426  -0.949
   63   1HG   ARG   8          1HG       ARG   8  -7.428 -20.692  -1.437
   64   2HG   ARG   8          2HG       ARG   8  -6.730 -20.111  -0.080
   65   1HD   ARG   8          1HD       ARG   8  -9.116 -21.722   0.040
   66   2HD   ARG   8          2HD       ARG   8  -7.629 -22.396   0.087
   67    HE   ARG   8           HE       ARG   8  -7.729 -20.435   2.060
   68   1HH1  ARG   8          1HH1      ARG   8  -9.101 -23.660   1.533
   69   2HH1  ARG   8          2HH1      ARG   8  -9.245 -23.949   3.235
   70   1HH2  ARG   8          1HH2      ARG   8  -7.943 -20.911   4.181
   71   2HH2  ARG   8          2HH2      ARG   8  -8.604 -22.426   4.699
   72    H    ARG   9           H        ARG   9  -8.909 -17.218  -3.695
   73    HA   ARG   9           HA       ARG   9 -10.589 -15.061  -2.833
   74   1HB   ARG   9          1HB       ARG   9 -10.133 -16.221  -5.447
   75   2HB   ARG   9          2HB       ARG   9 -11.162 -14.972  -5.228
   76   1HG   ARG   9          1HG       ARG   9  -9.335 -13.591  -4.562
   77   2HG   ARG   9          2HG       ARG   9  -8.310 -14.840  -4.801
   78   1HD   ARG   9          1HD       ARG   9  -9.849 -13.728  -6.971
   79   2HD   ARG   9          2HD       ARG   9  -8.360 -13.165  -6.603
   80    HE   ARG   9           HE       ARG   9  -8.034 -15.870  -6.892
   81   1HH1  ARG   9          1HH1      ARG   9  -9.010 -13.256  -9.080
   82   2HH1  ARG   9          2HH1      ARG   9  -8.416 -14.108 -10.466
   83   1HH2  ARG   9          1HH2      ARG   9  -7.307 -16.844  -8.706
   84   2HH2  ARG   9          2HH2      ARG   9  -7.475 -16.093 -10.257
   85    HA   PRO  10           HA       PRO  10 -14.195 -17.675  -2.186
   86   1HB   PRO  10          1HB       PRO  10 -15.609 -15.089  -2.141
   87   2HB   PRO  10          2HB       PRO  10 -15.779 -16.272  -1.028
   88   1HG   PRO  10          1HG       PRO  10 -14.389 -14.211  -0.389
   89   2HG   PRO  10          2HG       PRO  10 -13.831 -15.678   0.062
   90   1HD   PRO  10          1HD       PRO  10 -12.922 -14.063  -2.145
   91   2HD   PRO  10          2HD       PRO  10 -12.011 -14.976  -1.144
   92    H    TYR  11           H        TYR  11 -14.137 -15.758  -4.931
   93    HA   TYR  11           HA       TYR  11 -16.604 -16.782  -5.980
   94   1HB   TYR  11          1HB       TYR  11 -14.558 -15.117  -7.171
   95   2HB   TYR  11          2HB       TYR  11 -15.914 -15.545  -7.975
   96    HD1  TYR  11           HD1      TYR  11 -18.121 -14.567  -7.304
   97    HD2  TYR  11           HD2      TYR  11 -14.555 -13.250  -5.635
   98    HE1  TYR  11           HE1      TYR  11 -19.221 -12.606  -6.489
   99    HE2  TYR  11           HE2      TYR  11 -15.663 -11.297  -4.818
  100    HH   TYR  11           HH       TYR  11 -17.496 -10.097  -4.632
  101    H    ILE  12           H        ILE  12 -16.639 -18.991  -6.170
  102    HA   ILE  12           HA       ILE  12 -14.881 -20.113  -8.224
  103    HB   ILE  12           HB       ILE  12 -15.019 -22.232  -7.188
  104   1HG1  ILE  12          1HG1      ILE  12 -15.573 -21.046  -4.654
  105   2HG1  ILE  12          2HG1      ILE  12 -16.739 -21.743  -5.560
  106   1HG2  ILE  12          1HG2      ILE  12 -13.115 -21.808  -5.707
  107   2HG2  ILE  12          2HG2      ILE  12 -13.439 -20.211  -5.802
  108   3HG2  ILE  12          3HG2      ILE  12 -12.955 -21.026  -7.131
  109   1HD1  ILE  12          1HD1      ILE  12 -15.986 -23.258  -3.892
  110   2HD1  ILE  12          2HD1      ILE  12 -14.462 -23.147  -4.467
  111   3HD1  ILE  12          3HD1      ILE  12 -15.628 -23.845  -5.373
  112    H    LEU  13           H        LEU  13 -16.003 -20.455 -10.090
  113    HA   LEU  13           HA       LEU  13 -18.623 -21.718  -9.959
  114   1HB   LEU  13          1HB       LEU  13 -18.117 -19.326 -11.471
  115   2HB   LEU  13          2HB       LEU  13 -19.418 -20.278 -11.734
  116    HG   LEU  13           HG       LEU  13 -18.977 -18.899  -9.261
  117   1HD1  LEU  13          1HD1      LEU  13 -20.621 -17.280  -9.993
  118   2HD1  LEU  13          2HD1      LEU  13 -20.681 -18.023 -11.446
  119   3HD1  LEU  13          3HD1      LEU  13 -19.315 -17.264 -10.974
  120   1HD2  LEU  13          1HD2      LEU  13 -21.288 -19.309  -8.794
  121   2HD2  LEU  13          2HD2      LEU  13 -20.469 -20.709  -8.981
  122   3HD2  LEU  13          3HD2      LEU  13 -21.411 -20.146 -10.191
  123    HXT  LEU  13           HXT      LEU  13 -16.309 -22.287 -13.116
  Start of MODEL    5
    1    HN   PCA   1           HN       PCA   1  10.473 -31.979   1.270
    2    HA   PCA   1           HA       PCA   1   8.136 -31.741   0.385
    3   1HB   PCA   1          1HB       PCA   1   6.918 -33.001   1.893
    4   2HB   PCA   1          2HB       PCA   1   6.662 -31.563   2.625
    5   1HG   PCA   1          1HG       PCA   1   8.130 -32.030   4.286
    6   2HG   PCA   1          2HG       PCA   1   7.936 -33.586   3.828
    7    H    LEU   2           H        LEU   2   7.068 -29.766  -0.099
    8    HA   LEU   2           HA       LEU   2   8.447 -27.444   0.647
    9   1HB   LEU   2          1HB       LEU   2   9.111 -28.048  -1.647
   10   2HB   LEU   2          2HB       LEU   2   7.536 -27.937  -2.062
   11    HG   LEU   2           HG       LEU   2   7.634 -25.597  -1.496
   12   1HD1  LEU   2          1HD1      LEU   2   9.755 -24.496  -1.381
   13   2HD1  LEU   2          2HD1      LEU   2  10.499 -25.949  -1.390
   14   3HD1  LEU   2          3HD1      LEU   2   9.557 -25.522  -0.127
   15   1HD2  LEU   2          1HD2      LEU   2   8.732 -24.942  -3.558
   16   2HD2  LEU   2          2HD2      LEU   2   7.782 -26.249  -3.799
   17   3HD2  LEU   2          3HD2      LEU   2   9.399 -26.430  -3.654
   18    H    TYR   3           H        TYR   3   7.197 -25.715   1.219
   19    HA   TYR   3           HA       TYR   3   4.386 -26.169   1.624
   20   1HB   TYR   3          1HB       TYR   3   5.823 -24.921   3.155
   21   2HB   TYR   3          2HB       TYR   3   5.941 -23.749   2.023
   22    HD1  TYR   3           HD1      TYR   3   3.745 -25.189   4.477
   23    HD2  TYR   3           HD2      TYR   3   4.123 -22.144   1.680
   24    HE1  TYR   3           HE1      TYR   3   1.799 -24.121   5.369
   25    HE2  TYR   3           HE2      TYR   3   2.166 -21.091   2.564
   26    HH   TYR   3           HH       TYR   3   0.529 -21.069   4.035
   27    H    GLU   4           H        GLU   4   2.832 -26.165   0.145
   28    HA   GLU   4           HA       GLU   4   3.008 -24.418  -2.129
   29   1HB   GLU   4          1HB       GLU   4   1.046 -26.389  -1.353
   30   2HB   GLU   4          2HB       GLU   4   0.810 -25.436  -2.657
   31   1HG   GLU   4          1HG       GLU   4   2.818 -26.431  -3.625
   32   2HG   GLU   4          2HG       GLU   4   2.798 -27.504  -2.394
   33    H    ASN   5           H        ASN   5   2.666 -22.240  -1.866
   34    HA   ASN   5           HA       ASN   5   0.522 -21.247  -0.168
   35   1HB   ASN   5          1HB       ASN   5   2.701 -20.164  -0.425
   36   2HB   ASN   5          2HB       ASN   5   2.244 -19.760  -1.941
   37   1HD2  ASN   5          1HD2      ASN   5   0.775 -18.015  -2.309
   38   2HD2  ASN   5          2HD2      ASN   5   0.320 -16.973  -1.003
   39    H    LYS   6           H        LYS   6  -1.445 -22.028  -0.828
   40    HA   LYS   6           HA       LYS   6  -2.318 -21.528  -3.551
   41   1HB   LYS   6          1HB       LYS   6  -3.555 -22.944  -1.349
   42   2HB   LYS   6          2HB       LYS   6  -4.296 -22.758  -2.793
   43   1HG   LYS   6          1HG       LYS   6  -1.807 -24.174  -2.620
   44   2HG   LYS   6          2HG       LYS   6  -3.218 -24.947  -2.337
   45   1HD   LYS   6          1HD       LYS   6  -3.926 -24.540  -4.547
   46   2HD   LYS   6          2HD       LYS   6  -2.587 -23.652  -4.841
   47   1HE   LYS   6          1HE       LYS   6  -2.308 -26.432  -4.181
   48   2HE   LYS   6          2HE       LYS   6  -2.648 -26.003  -5.719
   49   1HZ   LYS   6          1HZ       LYS   6  -0.333 -26.251  -5.434
   50   2HZ   LYS   6          2HZ       LYS   6  -0.356 -25.128  -4.249
   51   3HZ   LYS   6          3HZ       LYS   6  -0.697 -24.699  -5.787
   52    HA   PRO   7           HA       PRO   7  -4.120 -17.606  -2.220
   53   1HB   PRO   7          1HB       PRO   7  -5.131 -17.525  -4.959
   54   2HB   PRO   7          2HB       PRO   7  -4.327 -16.325  -4.197
   55   1HG   PRO   7          1HG       PRO   7  -3.063 -17.687  -5.972
   56   2HG   PRO   7          2HG       PRO   7  -2.270 -17.297  -4.598
   57   1HD   PRO   7          1HD       PRO   7  -3.466 -19.838  -5.266
   58   2HD   PRO   7          2HD       PRO   7  -2.042 -19.583  -4.508
   59    H    ARG   8           H        ARG   8  -5.747 -16.971  -1.065
   60    HA   ARG   8           HA       ARG   8  -8.171 -18.551  -1.251
   61   1HB   ARG   8          1HB       ARG   8  -7.223 -16.730   0.777
   62   2HB   ARG   8          2HB       ARG   8  -8.717 -17.386   0.846
   63   1HG   ARG   8          1HG       ARG   8  -7.724 -19.563   1.018
   64   2HG   ARG   8          2HG       ARG   8  -6.246 -18.868   1.024
   65   1HD   ARG   8          1HD       ARG   8  -8.160 -18.317   3.104
   66   2HD   ARG   8          2HD       ARG   8  -7.105 -19.557   3.227
   67    HE   ARG   8           HE       ARG   8  -5.626 -17.274   2.671
   68   1HH1  ARG   8          1HH1      ARG   8  -7.488 -18.526   5.416
   69   2HH1  ARG   8          2HH1      ARG   8  -6.531 -17.637   6.554
   70   1HH2  ARG   8          1HH2      ARG   8  -4.471 -16.219   4.196
   71   2HH2  ARG   8          2HH2      ARG   8  -4.862 -16.362   5.877
   72    H    ARG   9           H        ARG   9  -9.712 -18.020  -2.687
   73    HA   ARG   9           HA       ARG   9 -10.629 -15.246  -2.752
   74   1HB   ARG   9          1HB       ARG   9 -10.288 -16.957  -5.055
   75   2HB   ARG   9          2HB       ARG   9 -11.130 -15.559  -5.115
   76   1HG   ARG   9          1HG       ARG   9  -8.306 -15.649  -4.567
   77   2HG   ARG   9          2HG       ARG   9  -8.910 -15.418  -6.066
   78   1HD   ARG   9          1HD       ARG   9  -9.920 -13.364  -5.298
   79   2HD   ARG   9          2HD       ARG   9  -9.195 -13.582  -3.851
   80    HE   ARG   9           HE       ARG   9  -7.164 -13.727  -5.693
   81   1HH1  ARG   9          1HH1      ARG   9  -9.386 -11.175  -4.631
   82   2HH1  ARG   9          2HH1      ARG   9  -8.276  -9.928  -5.090
   83   1HH2  ARG   9          1HH2      ARG   9  -5.848 -12.071  -6.239
   84   2HH2  ARG   9          2HH2      ARG   9  -6.320 -10.425  -5.979
   85    HA   PRO  10           HA       PRO  10 -14.538 -17.445  -2.053
   86   1HB   PRO  10          1HB       PRO  10 -16.211 -15.379  -1.740
   87   2HB   PRO  10          2HB       PRO  10 -15.077 -15.617  -0.589
   88   1HG   PRO  10          1HG       PRO  10 -14.951 -13.751  -2.799
   89   2HG   PRO  10          2HG       PRO  10 -14.602 -13.447  -1.233
   90   1HD   PRO  10          1HD       PRO  10 -12.689 -14.002  -2.955
   91   2HD   PRO  10          2HD       PRO  10 -12.542 -14.417  -1.382
   92    H    TYR  11           H        TYR  11 -13.955 -16.238  -4.980
   93    HA   TYR  11           HA       TYR  11 -16.563 -16.845  -6.066
   94   1HB   TYR  11          1HB       TYR  11 -14.151 -15.807  -7.268
   95   2HB   TYR  11          2HB       TYR  11 -15.434 -16.231  -8.186
   96    HD1  TYR  11           HD1      TYR  11 -17.502 -14.866  -8.163
   97    HD2  TYR  11           HD2      TYR  11 -14.134 -13.693  -6.038
   98    HE1  TYR  11           HE1      TYR  11 -18.426 -12.675  -7.903
   99    HE2  TYR  11           HE2      TYR  11 -15.068 -11.508  -5.773
  100    HH   TYR  11           HH       TYR  11 -16.707 -10.090  -6.148
  101    H    ILE  12           H        ILE  12 -17.227 -18.884  -6.477
  102    HA   ILE  12           HA       ILE  12 -15.322 -20.998  -7.137
  103    HB   ILE  12           HB       ILE  12 -18.123 -21.156  -6.728
  104   1HG1  ILE  12          1HG1      ILE  12 -16.197 -22.256  -4.880
  105   2HG1  ILE  12          2HG1      ILE  12 -16.772 -20.737  -4.701
  106   1HG2  ILE  12          1HG2      ILE  12 -17.842 -23.582  -6.673
  107   2HG2  ILE  12          2HG2      ILE  12 -16.273 -23.382  -7.079
  108   3HG2  ILE  12          3HG2      ILE  12 -17.448 -22.971  -8.136
  109   1HD1  ILE  12          1HD1      ILE  12 -17.921 -22.222  -3.247
  110   2HD1  ILE  12          2HD1      ILE  12 -18.388 -23.127  -4.524
  111   3HD1  ILE  12          3HD1      ILE  12 -18.962 -21.609  -4.345
  112    H    LEU  13           H        LEU  13 -14.439 -20.827  -9.156
  113    HA   LEU  13           HA       LEU  13 -16.154 -20.141 -11.414
  114   1HB   LEU  13          1HB       LEU  13 -13.271 -20.101 -11.190
  115   2HB   LEU  13          2HB       LEU  13 -14.066 -19.735 -12.569
  116    HG   LEU  13           HG       LEU  13 -14.296 -18.157 -10.187
  117   1HD1  LEU  13          1HD1      LEU  13 -12.751 -16.588 -11.202
  118   2HD1  LEU  13          2HD1      LEU  13 -12.537 -17.628 -12.442
  119   3HD1  LEU  13          3HD1      LEU  13 -12.026 -18.028 -10.944
  120   1HD2  LEU  13          1HD2      LEU  13 -15.164 -16.432 -11.598
  121   2HD2  LEU  13          2HD2      LEU  13 -16.099 -17.769 -11.661
  122   3HD2  LEU  13          3HD2      LEU  13 -15.061 -17.441 -12.877
  123    HXT  LEU  13           HXT      LEU  13 -14.435 -23.626 -11.990
  Start of MODEL    6
    1    HN   PCA   1           HN       PCA   1  -5.455 -29.004  13.150
    2    HA   PCA   1           HA       PCA   1  -5.899 -27.989  10.771
    3   1HB   PCA   1          1HB       PCA   1  -4.009 -26.911   9.953
    4   2HB   PCA   1          2HB       PCA   1  -3.016 -28.062  10.550
    5   1HG   PCA   1          1HG       PCA   1  -2.570 -26.476  12.135
    6   2HG   PCA   1          2HG       PCA   1  -4.005 -25.729  11.912
    7    H    LEU   2           H        LEU   2  -5.793 -29.244   8.800
    8    HA   LEU   2           HA       LEU   2  -5.243 -31.800   8.825
    9   1HB   LEU   2          1HB       LEU   2  -7.109 -32.143  10.282
   10   2HB   LEU   2          2HB       LEU   2  -8.089 -31.584   9.101
   11    HG   LEU   2           HG       LEU   2  -7.380 -33.457   7.750
   12   1HD1  LEU   2          1HD1      LEU   2  -6.420 -35.372   8.821
   13   2HD1  LEU   2          2HD1      LEU   2  -6.251 -34.507  10.195
   14   3HD1  LEU   2          3HD1      LEU   2  -5.395 -34.102   8.865
   15   1HD2  LEU   2          1HD2      LEU   2  -8.846 -35.045   8.849
   16   2HD2  LEU   2          2HD2      LEU   2  -9.501 -33.550   8.865
   17   3HD2  LEU   2          3HD2      LEU   2  -8.781 -34.140  10.206
   18    H    TYR   3           H        TYR   3  -7.956 -30.135   7.249
   19    HA   TYR   3           HA       TYR   3  -6.663 -30.519   4.628
   20   1HB   TYR   3          1HB       TYR   3  -8.936 -31.317   5.071
   21   2HB   TYR   3          2HB       TYR   3  -9.384 -29.753   5.212
   22    HD1  TYR   3           HD1      TYR   3  -8.340 -32.253   2.835
   23    HD2  TYR   3           HD2      TYR   3  -9.764 -28.378   3.251
   24    HE1  TYR   3           HE1      TYR   3  -8.752 -32.149   0.481
   25    HE2  TYR   3           HE2      TYR   3 -10.154 -28.271   0.894
   26    HH   TYR   3           HH       TYR   3 -10.100 -29.237  -1.079
   27    H    GLU   4           H        GLU   4  -5.013 -29.017   4.488
   28    HA   GLU   4           HA       GLU   4  -5.591 -26.271   4.959
   29   1HB   GLU   4          1HB       GLU   4  -3.353 -25.835   4.383
   30   2HB   GLU   4          2HB       GLU   4  -3.412 -27.106   5.406
   31   1HG   GLU   4          1HG       GLU   4  -2.690 -28.562   3.835
   32   2HG   GLU   4          2HG       GLU   4  -3.139 -27.593   2.600
   33    H    ASN   5           H        ASN   5  -5.998 -24.499   3.712
   34    HA   ASN   5           HA       ASN   5  -6.288 -24.952   0.824
   35   1HB   ASN   5          1HB       ASN   5  -8.033 -23.441   2.535
   36   2HB   ASN   5          2HB       ASN   5  -8.055 -23.272   0.910
   37   1HD2  ASN   5          1HD2      ASN   5  -9.121 -25.176   3.547
   38   2HD2  ASN   5          2HD2      ASN   5 -10.062 -26.292   2.615
   39    H    LYS   6           H        LYS   6  -4.441 -24.072  -0.088
   40    HA   LYS   6           HA       LYS   6  -3.324 -21.656   0.949
   41   1HB   LYS   6          1HB       LYS   6  -2.492 -23.341  -1.237
   42   2HB   LYS   6          2HB       LYS   6  -1.703 -21.956  -0.884
   43   1HG   LYS   6          1HG       LYS   6  -1.167 -22.850   1.279
   44   2HG   LYS   6          2HG       LYS   6  -1.887 -24.253   0.853
   45   1HD   LYS   6          1HD       LYS   6   0.308 -23.377  -0.723
   46   2HD   LYS   6          2HD       LYS   6   0.641 -23.996   0.751
   47   1HE   LYS   6          1HE       LYS   6   0.927 -25.778  -0.608
   48   2HE   LYS   6          2HE       LYS   6  -0.586 -26.014  -0.042
   49   1HZ   LYS   6          1HZ       LYS   6  -0.511 -26.387  -2.350
   50   2HZ   LYS   6          2HZ       LYS   6   0.047 -24.870  -2.582
   51   3HZ   LYS   6          3HZ       LYS   6  -1.466 -25.106  -2.016
   52    HA   PRO   7           HA       PRO   7  -4.824 -19.039  -2.592
   53   1HB   PRO   7          1HB       PRO   7  -6.258 -19.979  -4.589
   54   2HB   PRO   7          2HB       PRO   7  -4.650 -20.259  -4.603
   55   1HG   PRO   7          1HG       PRO   7  -6.734 -22.088  -3.779
   56   2HG   PRO   7          2HG       PRO   7  -5.452 -22.419  -4.735
   57   1HD   PRO   7          1HD       PRO   7  -5.413 -22.996  -2.161
   58   2HD   PRO   7          2HD       PRO   7  -4.037 -22.633  -2.964
   59    H    ARG   8           H        ARG   8  -5.877 -17.605  -1.481
   60    HA   ARG   8           HA       ARG   8  -8.579 -18.188  -0.559
   61   1HB   ARG   8          1HB       ARG   8  -6.884 -17.146   0.852
   62   2HB   ARG   8          2HB       ARG   8  -6.973 -15.827  -0.107
   63   1HG   ARG   8          1HG       ARG   8  -9.232 -15.488   0.573
   64   2HG   ARG   8          2HG       ARG   8  -9.138 -16.804   1.536
   65   1HD   ARG   8          1HD       ARG   8  -7.488 -14.484   1.983
   66   2HD   ARG   8          2HD       ARG   8  -8.943 -14.659   2.703
   67    HE   ARG   8           HE       ARG   8  -7.576 -16.957   3.308
   68   1HH1  ARG   8          1HH1      ARG   8  -7.172 -13.526   4.103
   69   2HH1  ARG   8          2HH1      ARG   8  -6.298 -13.897   5.551
   70   1HH2  ARG   8          1HH2      ARG   8  -6.448 -17.309   5.142
   71   2HH2  ARG   8          2HH2      ARG   8  -5.898 -15.993   6.125
   72    H    ARG   9           H        ARG   9 -10.037 -18.321  -2.183
   73    HA   ARG   9           HA       ARG   9 -10.555 -15.847  -3.669
   74   1HB   ARG   9          1HB       ARG   9 -10.574 -18.538  -4.714
   75   2HB   ARG   9          2HB       ARG   9 -11.304 -17.308  -5.502
   76   1HG   ARG   9          1HG       ARG   9  -8.479 -17.278  -4.978
   77   2HG   ARG   9          2HG       ARG   9  -9.085 -17.964  -6.330
   78   1HD   ARG   9          1HD       ARG   9  -9.463 -15.167  -5.746
   79   2HD   ARG   9          2HD       ARG   9  -8.208 -15.706  -6.642
   80    HE   ARG   9           HE       ARG   9 -10.518 -16.742  -7.778
   81   1HH1  ARG   9          1HH1      ARG   9  -9.020 -13.542  -7.495
   82   2HH1  ARG   9          2HH1      ARG   9  -9.798 -12.980  -8.937
   83   1HH2  ARG   9          1HH2      ARG   9 -11.432 -15.937  -9.579
   84   2HH2  ARG   9          2HH2      ARG   9 -11.135 -14.310 -10.090
   85    HA   PRO  10           HA       PRO  10 -14.614 -16.651  -1.752
   86   1HB   PRO  10          1HB       PRO  10 -15.813 -14.335  -2.248
   87   2HB   PRO  10          2HB       PRO  10 -14.659 -14.399  -1.094
   88   1HG   PRO  10          1HG       PRO  10 -14.368 -13.458  -3.808
   89   2HG   PRO  10          2HG       PRO  10 -13.766 -12.774  -2.452
   90   1HD   PRO  10          1HD       PRO  10 -12.261 -14.298  -3.995
   91   2HD   PRO  10          2HD       PRO  10 -11.986 -14.192  -2.389
   92    H    TYR  11           H        TYR  11 -14.934 -15.385  -5.013
   93    HA   TYR  11           HA       TYR  11 -17.046 -17.312  -5.495
   94   1HB   TYR  11          1HB       TYR  11 -17.373 -16.274  -7.541
   95   2HB   TYR  11          2HB       TYR  11 -17.360 -15.151  -6.355
   96    HD1  TYR  11           HD1      TYR  11 -15.622 -16.290  -9.276
   97    HD2  TYR  11           HD2      TYR  11 -15.710 -13.354  -6.344
   98    HE1  TYR  11           HE1      TYR  11 -14.063 -14.985 -10.534
   99    HE2  TYR  11           HE2      TYR  11 -14.149 -12.052  -7.606
  100    HH   TYR  11           HH       TYR  11 -12.858 -11.835  -9.390
  101    H    ILE  12           H        ILE  12 -16.866 -19.344  -6.215
  102    HA   ILE  12           HA       ILE  12 -14.351 -20.216  -7.468
  103    HB   ILE  12           HB       ILE  12 -15.069 -21.364  -5.586
  104   1HG1  ILE  12          1HG1      ILE  12 -15.027 -23.238  -7.787
  105   2HG1  ILE  12          2HG1      ILE  12 -13.690 -22.387  -7.395
  106   1HG2  ILE  12          1HG2      ILE  12 -16.813 -22.992  -5.623
  107   2HG2  ILE  12          2HG2      ILE  12 -17.318 -22.381  -7.050
  108   3HG2  ILE  12          3HG2      ILE  12 -17.378 -21.462  -5.702
  109   1HD1  ILE  12          1HD1      ILE  12 -13.568 -24.572  -6.468
  110   2HD1  ILE  12          2HD1      ILE  12 -14.964 -24.317  -5.661
  111   3HD1  ILE  12          3HD1      ILE  12 -13.627 -23.466  -5.268
  112    H    LEU  13           H        LEU  13 -14.532 -19.007  -9.377
  113    HA   LEU  13           HA       LEU  13 -16.055 -20.416 -11.422
  114   1HB   LEU  13          1HB       LEU  13 -15.980 -17.547 -11.259
  115   2HB   LEU  13          2HB       LEU  13 -16.571 -18.376 -12.536
  116    HG   LEU  13           HG       LEU  13 -17.780 -18.481  -9.942
  117   1HD1  LEU  13          1HD1      LEU  13 -19.428 -16.906 -10.751
  118   2HD1  LEU  13          2HD1      LEU  13 -18.579 -16.754 -12.137
  119   3HD1  LEU  13          3HD1      LEU  13 -17.943 -16.229 -10.728
  120   1HD2  LEU  13          1HD2      LEU  13 -19.720 -19.321 -11.056
  121   2HD2  LEU  13          2HD2      LEU  13 -18.438 -20.304 -11.288
  122   3HD2  LEU  13          3HD2      LEU  13 -18.910 -19.285 -12.473
  123    HXT  LEU  13           HXT      LEU  13 -12.582 -18.709 -12.312
  Start of MODEL    7
    1    HN   PCA   1           HN       PCA   1   2.052 -21.378  19.348
    2    HA   PCA   1           HA       PCA   1   2.300 -22.208  16.866
    3   1HB   PCA   1          1HB       PCA   1  -0.531 -22.746  17.098
    4   2HB   PCA   1          2HB       PCA   1   0.568 -23.644  16.290
    5   1HG   PCA   1          1HG       PCA   1  -0.383 -24.428  18.636
    6   2HG   PCA   1          2HG       PCA   1   1.118 -24.853  18.151
    7    H    LEU   2           H        LEU   2   1.897 -20.817  15.122
    8    HA   LEU   2           HA       LEU   2   1.076 -18.237  15.805
    9   1HB   LEU   2          1HB       LEU   2   2.719 -17.203  14.545
   10   2HB   LEU   2          2HB       LEU   2   3.446 -18.076  15.718
   11    HG   LEU   2           HG       LEU   2   3.853 -19.734  13.924
   12   1HD1  LEU   2          1HD1      LEU   2   4.150 -18.846  11.720
   13   2HD1  LEU   2          2HD1      LEU   2   3.492 -17.435  12.212
   14   3HD1  LEU   2          3HD1      LEU   2   2.582 -18.791  12.171
   15   1HD2  LEU   2          1HD2      LEU   2   5.947 -18.628  13.345
   16   2HD2  LEU   2          2HD2      LEU   2   5.643 -18.487  14.943
   17   3HD2  LEU   2          3HD2      LEU   2   5.349 -17.231  13.943
   18    H    TYR   3           H        TYR   3   0.214 -16.944  14.072
   19    HA   TYR   3           HA       TYR   3  -1.541 -18.566  12.466
   20   1HB   TYR   3          1HB       TYR   3  -2.680 -16.561  12.003
   21   2HB   TYR   3          2HB       TYR   3  -2.472 -16.750  13.612
   22    HD1  TYR   3           HD1      TYR   3  -1.083 -15.172  14.896
   23    HD2  TYR   3           HD2      TYR   3  -1.743 -14.633  10.834
   24    HE1  TYR   3           HE1      TYR   3  -0.192 -12.958  15.042
   25    HE2  TYR   3           HE2      TYR   3  -0.857 -12.415  10.989
   26    HH   TYR   3           HH       TYR   3   0.044 -10.807  12.222
   27    H    GLU   4           H        GLU   4  -1.060 -19.531  10.628
   28    HA   GLU   4           HA       GLU   4   0.823 -18.302   8.792
   29   1HB   GLU   4          1HB       GLU   4   0.836 -20.701   9.336
   30   2HB   GLU   4          2HB       GLU   4  -0.543 -20.828   8.469
   31   1HG   GLU   4          1HG       GLU   4   0.686 -20.039   6.531
   32   2HG   GLU   4          2HG       GLU   4   2.052 -20.121   7.422
   33    H    ASN   5           H        ASN   5   0.411 -16.989   7.120
   34    HA   ASN   5           HA       ASN   5  -2.364 -16.578   6.358
   35   1HB   ASN   5          1HB       ASN   5   0.000 -14.985   5.907
   36   2HB   ASN   5          2HB       ASN   5  -1.432 -14.609   5.218
   37   1HD2  ASN   5          1HD2      ASN   5   0.493 -14.239   7.993
   38   2HD2  ASN   5          2HD2      ASN   5  -0.673 -13.381   8.944
   39    H    LYS   6           H        LYS   6  -3.253 -17.813   4.794
   40    HA   LYS   6           HA       LYS   6  -1.662 -18.391   2.390
   41   1HB   LYS   6          1HB       LYS   6  -3.599 -20.089   3.675
   42   2HB   LYS   6          2HB       LYS   6  -3.020 -20.387   2.177
   43   1HG   LYS   6          1HG       LYS   6  -1.307 -20.354   4.489
   44   2HG   LYS   6          2HG       LYS   6  -2.025 -21.724   3.963
   45   1HD   LYS   6          1HD       LYS   6  -0.788 -21.620   1.941
   46   2HD   LYS   6          2HD       LYS   6  -0.106 -20.213   2.412
   47   1HE   LYS   6          1HE       LYS   6   1.014 -21.318   4.181
   48   2HE   LYS   6          2HE       LYS   6   0.281 -22.724   3.792
   49   1HZ   LYS   6          1HZ       LYS   6   2.478 -22.701   2.990
   50   2HZ   LYS   6          2HZ       LYS   6   2.156 -21.348   2.134
   51   3HZ   LYS   6          3HZ       LYS   6   1.422 -22.754   1.746
   52    HA   PRO   7           HA       PRO   7  -4.961 -15.777   0.625
   53   1HB   PRO   7          1HB       PRO   7  -3.332 -16.136  -1.776
   54   2HB   PRO   7          2HB       PRO   7  -3.945 -14.722  -1.237
   55   1HG   PRO   7          1HG       PRO   7  -1.436 -15.154  -0.897
   56   2HG   PRO   7          2HG       PRO   7  -2.265 -14.464   0.329
   57   1HD   PRO   7          1HD       PRO   7  -1.441 -17.219   0.106
   58   2HD   PRO   7          2HD       PRO   7  -1.455 -16.294   1.452
   59    H    ARG   8           H        ARG   8  -6.914 -16.067  -0.050
   60    HA   ARG   8           HA       ARG   8  -7.439 -18.211  -1.924
   61   1HB   ARG   8          1HB       ARG   8  -9.074 -19.259  -0.619
   62   2HB   ARG   8          2HB       ARG   8  -7.608 -19.355   0.095
   63   1HG   ARG   8          1HG       ARG   8  -8.253 -17.756   1.702
   64   2HG   ARG   8          2HG       ARG   8  -9.695 -17.563   0.960
   65   1HD   ARG   8          1HD       ARG   8  -8.945 -20.086   2.130
   66   2HD   ARG   8          2HD       ARG   8  -9.730 -18.946   2.997
   67    HE   ARG   8           HE       ARG   8 -11.267 -19.283   0.758
   68   1HH1  ARG   8          1HH1      ARG   8 -10.327 -21.394   3.445
   69   2HH1  ARG   8          2HH1      ARG   8 -11.748 -22.367   3.265
   70   1HH2  ARG   8          1HH2      ARG   8 -13.021 -20.576   0.620
   71   2HH2  ARG   8          2HH2      ARG   8 -13.240 -21.912   1.700
   72    H    ARG   9           H        ARG   9  -8.911 -17.764  -3.493
   73    HA   ARG   9           HA       ARG   9 -10.377 -15.290  -3.315
   74   1HB   ARG   9          1HB       ARG   9 -10.096 -17.202  -5.472
   75   2HB   ARG   9          2HB       ARG   9 -11.033 -15.871  -5.614
   76   1HG   ARG   9          1HG       ARG   9  -9.103 -14.488  -5.436
   77   2HG   ARG   9          2HG       ARG   9  -8.163 -15.815  -5.281
   78   1HD   ARG   9          1HD       ARG   9  -8.712 -16.472  -7.509
   79   2HD   ARG   9          2HD       ARG   9  -9.670 -15.158  -7.666
   80    HE   ARG   9           HE       ARG   9  -7.166 -14.223  -6.944
   81   1HH1  ARG   9          1HH1      ARG   9  -8.592 -15.758  -9.806
   82   2HH1  ARG   9          2HH1      ARG   9  -7.413 -15.047 -10.857
   83   1HH2  ARG   9          1HH2      ARG   9  -5.732 -13.381  -8.365
   84   2HH2  ARG   9          2HH2      ARG   9  -5.832 -13.732 -10.058
   85    HA   PRO  10           HA       PRO  10 -14.145 -17.440  -2.076
   86   1HB   PRO  10          1HB       PRO  10 -15.753 -15.341  -1.637
   87   2HB   PRO  10          2HB       PRO  10 -14.514 -15.588  -0.602
   88   1HG   PRO  10          1HG       PRO  10 -14.582 -13.747  -2.833
   89   2HG   PRO  10          2HG       PRO  10 -14.056 -13.440  -1.318
   90   1HD   PRO  10          1HD       PRO  10 -12.355 -14.044  -3.233
   91   2HD   PRO  10          2HD       PRO  10 -12.046 -14.457  -1.683
   92    H    TYR  11           H        TYR  11 -14.009 -16.076  -5.064
   93    HA   TYR  11           HA       TYR  11 -16.687 -16.831  -5.802
   94   1HB   TYR  11          1HB       TYR  11 -14.501 -15.718  -7.339
   95   2HB   TYR  11          2HB       TYR  11 -15.919 -16.128  -8.039
   96    HD1  TYR  11           HD1      TYR  11 -17.959 -14.770  -7.628
   97    HD2  TYR  11           HD2      TYR  11 -14.269 -13.627  -6.109
   98    HE1  TYR  11           HE1      TYR  11 -18.822 -12.589  -7.165
   99    HE2  TYR  11           HE2      TYR  11 -15.140 -11.449  -5.642
  100    HH   TYR  11           HH       TYR  11 -16.841 -10.026  -5.699
  101    H    ILE  12           H        ILE  12 -17.383 -18.834  -6.360
  102    HA   ILE  12           HA       ILE  12 -15.486 -20.921  -7.118
  103    HB   ILE  12           HB       ILE  12 -17.189 -21.214  -5.553
  104   1HG1  ILE  12          1HG1      ILE  12 -16.069 -23.110  -6.337
  105   2HG1  ILE  12          2HG1      ILE  12 -17.616 -23.493  -5.980
  106   1HG2  ILE  12          1HG2      ILE  12 -19.410 -21.907  -6.172
  107   2HG2  ILE  12          2HG2      ILE  12 -19.113 -21.344  -7.675
  108   3HG2  ILE  12          3HG2      ILE  12 -19.121 -20.317  -6.405
  109   1HD1  ILE  12          1HD1      ILE  12 -16.921 -24.637  -7.926
  110   2HD1  ILE  12          2HD1      ILE  12 -16.578 -23.217  -8.656
  111   3HD1  ILE  12          3HD1      ILE  12 -18.125 -23.599  -8.299
  112    H    LEU  13           H        LEU  13 -14.491 -20.450  -8.993
  113    HA   LEU  13           HA       LEU  13 -16.117 -20.671 -11.403
  114   1HB   LEU  13          1HB       LEU  13 -14.248 -18.531 -10.960
  115   2HB   LEU  13          2HB       LEU  13 -14.805 -18.919 -12.445
  116    HG   LEU  13           HG       LEU  13 -16.522 -17.990 -10.348
  117   1HD1  LEU  13          1HD1      LEU  13 -16.501 -15.821 -11.415
  118   2HD1  LEU  13          2HD1      LEU  13 -15.377 -16.367 -12.466
  119   3HD1  LEU  13          3HD1      LEU  13 -15.010 -16.220 -10.882
  120   1HD2  LEU  13          1HD2      LEU  13 -18.118 -17.538 -12.074
  121   2HD2  LEU  13          2HD2      LEU  13 -17.732 -19.124 -12.032
  122   3HD2  LEU  13          3HD2      LEU  13 -17.084 -18.156 -13.176
  123    HXT  LEU  13           HXT      LEU  13 -13.565 -22.736 -12.515
  Start of MODEL    8
    1    HN   PCA   1           HN       PCA   1   4.224  -0.706   4.655
    2    HA   PCA   1           HA       PCA   1   3.270  -2.617   3.126
    3   1HB   PCA   1          1HB       PCA   1   2.510  -3.820   5.644
    4   2HB   PCA   1          2HB       PCA   1   3.042  -4.602   4.312
    5   1HG   PCA   1          1HG       PCA   1   4.621  -4.243   6.410
    6   2HG   PCA   1          2HG       PCA   1   5.238  -4.349   4.901
    7    H    LEU   2           H        LEU   2   1.043  -2.710   2.539
    8    HA   LEU   2           HA       LEU   2  -0.734  -1.211   3.590
    9   1HB   LEU   2          1HB       LEU   2  -1.131   0.668   2.325
   10   2HB   LEU   2          2HB       LEU   2   0.385   0.758   2.926
   11    HG   LEU   2           HG       LEU   2   0.944  -0.097   0.586
   12   1HD1  LEU   2          1HD1      LEU   2  -0.401   0.995  -1.090
   13   2HD1  LEU   2          2HD1      LEU   2  -1.433   1.483   0.077
   14   3HD1  LEU   2          3HD1      LEU   2  -1.277  -0.107  -0.263
   15   1HD2  LEU   2          1HD2      LEU   2   1.443   2.190  -0.052
   16   2HD2  LEU   2          2HD2      LEU   2   1.883   1.910   1.495
   17   3HD2  LEU   2          3HD2      LEU   2   0.501   2.718   1.172
   18    H    TYR   3           H        TYR   3   0.091  -2.490   0.413
   19    HA   TYR   3           HA       TYR   3  -2.663  -3.361   0.043
   20   1HB   TYR   3          1HB       TYR   3  -2.076  -3.890  -2.130
   21   2HB   TYR   3          2HB       TYR   3  -1.669  -2.345  -1.790
   22    HD1  TYR   3           HD1      TYR   3   0.703  -1.642  -1.783
   23    HD2  TYR   3           HD2      TYR   3  -0.402  -5.503  -2.834
   24    HE1  TYR   3           HE1      TYR   3   2.876  -2.016  -2.709
   25    HE2  TYR   3           HE2      TYR   3   1.771  -5.870  -3.760
   26    HH   TYR   3           HH       TYR   3   3.786  -5.121  -4.212
   27    H    GLU   4           H        GLU   4  -3.310  -4.942   1.383
   28    HA   GLU   4           HA       GLU   4  -1.602  -7.262   1.815
   29   1HB   GLU   4          1HB       GLU   4  -2.835  -6.142   3.608
   30   2HB   GLU   4          2HB       GLU   4  -4.209  -6.710   2.931
   31   1HG   GLU   4          1HG       GLU   4  -3.423  -8.958   3.343
   32   2HG   GLU   4          2HG       GLU   4  -2.138  -8.328   4.131
   33    H    ASN   5           H        ASN   5  -1.379  -8.731   0.247
   34    HA   ASN   5           HA       ASN   5  -3.577  -9.358  -1.480
   35   1HB   ASN   5          1HB       ASN   5  -0.883 -10.404  -1.375
   36   2HB   ASN   5          2HB       ASN   5  -1.968 -10.907  -2.487
   37   1HD2  ASN   5          1HD2      ASN   5  -2.643  -9.433  -4.228
   38   2HD2  ASN   5          2HD2      ASN   5  -1.593  -8.118  -4.634
   39    H    LYS   6           H        LYS   6  -5.273 -10.613  -0.972
   40    HA   LYS   6           HA       LYS   6  -5.038 -12.631   1.055
   41   1HB   LYS   6          1HB       LYS   6  -7.302 -11.745  -0.525
   42   2HB   LYS   6          2HB       LYS   6  -7.439 -12.914   0.606
   43   1HG   LYS   6          1HG       LYS   6  -6.936 -11.336   2.311
   44   2HG   LYS   6          2HG       LYS   6  -6.769 -10.165   1.185
   45   1HD   LYS   6          1HD       LYS   6  -9.087 -10.362   0.640
   46   2HD   LYS   6          2HD       LYS   6  -9.252 -11.526   1.774
   47   1HE   LYS   6          1HE       LYS   6  -8.751  -9.943   3.486
   48   2HE   LYS   6          2HE       LYS   6  -8.554  -8.777   2.360
   49   1HZ   LYS   6          1HZ       LYS   6 -10.691  -8.624   3.327
   50   2HZ   LYS   6          2HZ       LYS   6 -11.009 -10.158   2.867
   51   3HZ   LYS   6          3HZ       LYS   6 -10.812  -8.992   1.741
   52    HA   PRO   7           HA       PRO   7  -4.176 -15.818  -1.985
   53   1HB   PRO   7          1HB       PRO   7  -3.678 -17.892  -0.363
   54   2HB   PRO   7          2HB       PRO   7  -2.578 -16.692  -0.494
   55   1HG   PRO   7          1HG       PRO   7  -4.541 -17.042   1.596
   56   2HG   PRO   7          2HG       PRO   7  -2.969 -16.637   1.774
   57   1HD   PRO   7          1HD       PRO   7  -4.823 -14.786   1.832
   58   2HD   PRO   7          2HD       PRO   7  -3.347 -14.452   1.218
   59    H    ARG   8           H        ARG   8  -6.732 -16.749   0.201
   60    HA   ARG   8           HA       ARG   8  -7.779 -18.522  -1.802
   61   1HB   ARG   8          1HB       ARG   8  -9.398 -19.142  -0.275
   62   2HB   ARG   8          2HB       ARG   8  -7.955 -19.119   0.489
   63   1HG   ARG   8          1HG       ARG   8  -8.560 -17.157   1.642
   64   2HG   ARG   8          2HG       ARG   8  -9.972 -17.084   0.824
   65   1HD   ARG   8          1HD       ARG   8 -10.682 -19.115   1.877
   66   2HD   ARG   8          2HD       ARG   8  -9.274 -19.177   2.701
   67    HE   ARG   8           HE       ARG   8 -10.392 -16.717   3.274
   68   1HH1  ARG   8          1HH1      ARG   8 -11.179 -20.098   3.998
   69   2HH1  ARG   8          2HH1      ARG   8 -12.037 -19.659   5.437
   70   1HH2  ARG   8          1HH2      ARG   8 -11.498 -16.282   5.112
   71   2HH2  ARG   8          2HH2      ARG   8 -12.212 -17.550   6.051
   72    H    ARG   9           H        ARG   9  -9.193 -18.281  -3.401
   73    HA   ARG   9           HA       ARG   9 -10.347 -15.696  -3.852
   74   1HB   ARG   9          1HB       ARG   9 -10.524 -18.155  -5.377
   75   2HB   ARG   9          2HB       ARG   9 -11.219 -16.764  -5.876
   76   1HG   ARG   9          1HG       ARG   9  -9.094 -15.784  -6.189
   77   2HG   ARG   9          2HG       ARG   9  -8.368 -17.130  -5.615
   78   1HD   ARG   9          1HD       ARG   9  -8.134 -17.239  -7.906
   79   2HD   ARG   9          2HD       ARG   9  -9.300 -18.323  -7.540
   80    HE   ARG   9           HE       ARG   9 -10.948 -16.989  -8.532
   81   1HH1  ARG   9          1HH1      ARG   9  -7.775 -15.418  -8.769
   82   2HH1  ARG   9          2HH1      ARG   9  -8.331 -14.345 -10.010
   83   1HH2  ARG   9          1HH2      ARG   9 -11.522 -15.607 -10.118
   84   2HH2  ARG   9          2HH2      ARG   9 -10.400 -14.451 -10.752
   85    HA   PRO  10           HA       PRO  10 -14.248 -16.812  -1.840
   86   1HB   PRO  10          1HB       PRO  10 -15.577 -14.518  -2.108
   87   2HB   PRO  10          2HB       PRO  10 -14.354 -14.606  -1.029
   88   1HG   PRO  10          1HG       PRO  10 -14.258 -13.492  -3.692
   89   2HG   PRO  10          2HG       PRO  10 -13.615 -12.859  -2.331
   90   1HD   PRO  10          1HD       PRO  10 -12.119 -14.206  -4.026
   91   2HD   PRO  10          2HD       PRO  10 -11.782 -14.213  -2.427
   92    H    TYR  11           H        TYR  11 -14.687 -15.522  -5.054
   93    HA   TYR  11           HA       TYR  11 -16.940 -17.308  -5.430
   94   1HB   TYR  11          1HB       TYR  11 -17.304 -16.246  -7.445
   95   2HB   TYR  11          2HB       TYR  11 -17.085 -15.106  -6.296
   96    HD1  TYR  11           HD1      TYR  11 -15.162 -13.567  -6.400
   97    HD2  TYR  11           HD2      TYR  11 -15.784 -16.423  -9.345
   98    HE1  TYR  11           HE1      TYR  11 -13.595 -12.449  -7.820
   99    HE2  TYR  11           HE2      TYR  11 -14.208 -15.309 -10.756
  100    HH   TYR  11           HH       TYR  11 -12.821 -13.627 -11.093
  101    H    ILE  12           H        ILE  12 -16.954 -19.338  -6.124
  102    HA   ILE  12           HA       ILE  12 -14.576 -20.451  -7.423
  103    HB   ILE  12           HB       ILE  12 -15.480 -21.552  -5.579
  104   1HG1  ILE  12          1HG1      ILE  12 -15.576 -23.365  -7.830
  105   2HG1  ILE  12          2HG1      ILE  12 -14.164 -22.687  -7.365
  106   1HG2  ILE  12          1HG2      ILE  12 -17.399 -22.972  -5.721
  107   2HG2  ILE  12          2HG2      ILE  12 -17.777 -22.273  -7.147
  108   3HG2  ILE  12          3HG2      ILE  12 -17.784 -21.386  -5.777
  109   1HD1  ILE  12          1HD1      ILE  12 -14.334 -24.893  -6.501
  110   2HD1  ILE  12          2HD1      ILE  12 -15.721 -24.497  -5.736
  111   3HD1  ILE  12          3HD1      ILE  12 -14.311 -23.819  -5.271
  112    H    LEU  13           H        LEU  13 -14.260 -20.022  -9.491
  113    HA   LEU  13           HA       LEU  13 -16.503 -20.281 -11.404
  114   1HB   LEU  13          1HB       LEU  13 -15.394 -18.105 -11.114
  115   2HB   LEU  13          2HB       LEU  13 -14.084 -18.793 -11.805
  116    HG   LEU  13           HG       LEU  13 -15.172 -17.401 -13.269
  117   1HD1  LEU  13          1HD1      LEU  13 -15.398 -18.794 -15.205
  118   2HD1  LEU  13          2HD1      LEU  13 -15.346 -20.105 -14.234
  119   3HD1  LEU  13          3HD1      LEU  13 -14.045 -19.126 -14.355
  120   1HD2  LEU  13          1HD2      LEU  13 -17.359 -17.869 -14.176
  121   2HD2  LEU  13          2HD2      LEU  13 -17.418 -17.510 -12.585
  122   3HD2  LEU  13          3HD2      LEU  13 -17.527 -19.064 -13.076
  123    HXT  LEU  13           HXT      LEU  13 -13.311 -22.324 -12.392
  Start of MODEL    9
    1    HN   PCA   1           HN       PCA   1   3.603 -10.245  -2.215
    2    HA   PCA   1           HA       PCA   1   2.803 -12.732  -1.945
    3   1HB   PCA   1          1HB       PCA   1   1.175 -13.265  -3.513
    4   2HB   PCA   1          2HB       PCA   1   1.935 -12.418  -4.685
    5   1HG   PCA   1          1HG       PCA   1   0.281 -10.893  -4.286
    6   2HG   PCA   1          2HG       PCA   1   0.044 -11.424  -2.760
    7    H    LEU   2           H        LEU   2   4.023 -14.525  -2.729
    8    HA   LEU   2           HA       LEU   2   6.228 -14.236  -4.103
    9   1HB   LEU   2          1HB       LEU   2   7.168 -13.030  -2.263
   10   2HB   LEU   2          2HB       LEU   2   6.992 -14.365  -1.338
   11    HG   LEU   2           HG       LEU   2   8.534 -15.486  -2.829
   12   1HD1  LEU   2          1HD1      LEU   2   9.996 -14.172  -4.194
   13   2HD1  LEU   2          2HD1      LEU   2   9.105 -12.846  -3.855
   14   3HD1  LEU   2          3HD1      LEU   2   8.454 -14.069  -4.720
   15   1HD2  LEU   2          1HD2      LEU   2  10.507 -14.505  -1.822
   16   2HD2  LEU   2          2HD2      LEU   2   9.320 -14.679  -0.715
   17   3HD2  LEU   2          3HD2      LEU   2   9.615 -13.214  -1.372
   18    H    TYR   3           H        TYR   3   5.592 -16.256  -1.253
   19    HA   TYR   3           HA       TYR   3   5.609 -18.670  -2.920
   20   1HB   TYR   3          1HB       TYR   3   6.874 -18.448  -0.813
   21   2HB   TYR   3          2HB       TYR   3   5.433 -18.473  -0.045
   22    HD1  TYR   3           HD1      TYR   3   7.816 -20.495  -1.789
   23    HD2  TYR   3           HD2      TYR   3   4.183 -20.583   0.218
   24    HE1  TYR   3           HE1      TYR   3   7.945 -22.880  -1.656
   25    HE2  TYR   3           HE2      TYR   3   4.322 -22.967   0.355
   26    HH   TYR   3           HH       TYR   3   5.409 -24.829  -0.077
   27    H    GLU   4           H        GLU   4   3.714 -18.685  -4.173
   28    HA   GLU   4           HA       GLU   4   1.172 -18.702  -2.793
   29   1HB   GLU   4          1HB       GLU   4   1.321 -17.801  -4.985
   30   2HB   GLU   4          2HB       GLU   4   1.708 -19.281  -5.556
   31   1HG   GLU   4          1HG       GLU   4  -0.553 -18.716  -6.035
   32   2HG   GLU   4          2HG       GLU   4  -0.446 -20.071  -5.130
   33    H    ASN   5           H        ASN   5  -0.100 -20.302  -2.094
   34    HA   ASN   5           HA       ASN   5   0.658 -23.034  -2.547
   35   1HB   ASN   5          1HB       ASN   5   0.974 -23.668  -0.340
   36   2HB   ASN   5          2HB       ASN   5   2.048 -22.503  -0.737
   37   1HD2  ASN   5          1HD2      ASN   5  -0.334 -23.451   1.490
   38   2HD2  ASN   5          2HD2      ASN   5  -0.286 -22.020   2.464
   39    H    LYS   6           H        LYS   6  -1.761 -21.125  -0.808
   40    HA   LYS   6           HA       LYS   6  -3.846 -22.786  -2.036
   41   1HB   LYS   6          1HB       LYS   6  -3.414 -23.629   0.197
   42   2HB   LYS   6          2HB       LYS   6  -3.946 -22.193   0.765
   43   1HG   LYS   6          1HG       LYS   6  -6.087 -22.607  -0.193
   44   2HG   LYS   6          2HG       LYS   6  -5.555 -24.042  -0.763
   45   1HD   LYS   6          1HD       LYS   6  -6.773 -24.590   1.090
   46   2HD   LYS   6          2HD       LYS   6  -5.221 -24.692   1.588
   47   1HE   LYS   6          1HE       LYS   6  -5.412 -22.586   2.672
   48   2HE   LYS   6          2HE       LYS   6  -6.947 -22.433   2.134
   49   1HZ   LYS   6          1HZ       LYS   6  -6.934 -23.199   4.360
   50   2HZ   LYS   6          2HZ       LYS   6  -6.036 -24.486   3.912
   51   3HZ   LYS   6          3HZ       LYS   6  -7.570 -24.334   3.374
   52    HA   PRO   7           HA       PRO   7  -4.646 -18.352  -2.724
   53   1HB   PRO   7          1HB       PRO   7  -5.936 -18.496  -5.038
   54   2HB   PRO   7          2HB       PRO   7  -4.311 -18.657  -5.002
   55   1HG   PRO   7          1HG       PRO   7  -6.273 -20.774  -5.141
   56   2HG   PRO   7          2HG       PRO   7  -4.896 -20.644  -6.010
   57   1HD   PRO   7          1HD       PRO   7  -4.951 -22.181  -3.902
   58   2HD   PRO   7          2HD       PRO   7  -3.588 -21.357  -4.265
   59    H    ARG   8           H        ARG   8  -5.795 -17.297  -1.355
   60    HA   ARG   8           HA       ARG   8  -8.437 -18.258  -0.693
   61   1HB   ARG   8          1HB       ARG   8  -8.312 -16.824   1.142
   62   2HB   ARG   8          2HB       ARG   8  -6.943 -17.710   1.043
   63   1HG   ARG   8          1HG       ARG   8  -5.767 -15.797   0.256
   64   2HG   ARG   8          2HG       ARG   8  -7.136 -14.913   0.369
   65   1HD   ARG   8          1HD       ARG   8  -5.941 -14.355   2.246
   66   2HD   ARG   8          2HD       ARG   8  -7.076 -15.396   2.790
   67    HE   ARG   8           HE       ARG   8  -4.716 -16.784   2.102
   68   1HH1  ARG   8          1HH1      ARG   8  -6.099 -14.920   4.783
   69   2HH1  ARG   8          2HH1      ARG   8  -5.025 -15.649   5.930
   70   1HH2  ARG   8          1HH2      ARG   8  -3.403 -17.626   3.631
   71   2HH2  ARG   8          2HH2      ARG   8  -3.534 -17.147   5.290
   72    H    ARG   9           H        ARG   9  -9.626 -18.090  -2.554
   73    HA   ARG   9           HA       ARG   9 -10.567 -15.366  -3.226
   74   1HB   ARG   9          1HB       ARG   9  -9.030 -16.369  -4.844
   75   2HB   ARG   9          2HB       ARG   9 -10.137 -17.548  -5.072
   76   1HG   ARG   9          1HG       ARG   9 -11.656 -15.955  -5.972
   77   2HG   ARG   9          2HG       ARG   9 -10.559 -14.769  -5.733
   78   1HD   ARG   9          1HD       ARG   9 -10.093 -16.962  -7.551
   79   2HD   ARG   9          2HD       ARG   9 -10.695 -15.526  -8.042
   80    HE   ARG   9           HE       ARG   9  -8.350 -14.968  -6.689
   81   1HH1  ARG   9          1HH1      ARG   9  -9.193 -16.579  -9.728
   82   2HH1  ARG   9          2HH1      ARG   9  -7.665 -16.179 -10.439
   83   1HH2  ARG   9          1HH2      ARG   9  -6.470 -14.499  -7.687
   84   2HH2  ARG   9          2HH2      ARG   9  -6.157 -15.026  -9.307
   85    HA   PRO  10           HA       PRO  10 -14.411 -17.364  -1.994
   86   1HB   PRO  10          1HB       PRO  10 -15.438 -14.633  -2.382
   87   2HB   PRO  10          2HB       PRO  10 -15.757 -15.585  -1.094
   88   1HG   PRO  10          1HG       PRO  10 -14.081 -13.666  -0.783
   89   2HG   PRO  10          2HG       PRO  10 -13.727 -15.106  -0.099
   90   1HD   PRO  10          1HD       PRO  10 -12.639 -14.012  -2.537
   91   2HD   PRO  10          2HD       PRO  10 -11.844 -14.860  -1.390
   92    H    TYR  11           H        TYR  11 -14.126 -15.890  -5.001
   93    HA   TYR  11           HA       TYR  11 -16.645 -16.834  -5.951
   94   1HB   TYR  11          1HB       TYR  11 -14.376 -15.677  -7.326
   95   2HB   TYR  11          2HB       TYR  11 -15.708 -16.161  -8.140
   96    HD1  TYR  11           HD1      TYR  11 -17.844 -14.898  -7.903
   97    HD2  TYR  11           HD2      TYR  11 -14.324 -13.540  -6.173
   98    HE1  TYR  11           HE1      TYR  11 -18.837 -12.749  -7.564
   99    HE2  TYR  11           HE2      TYR  11 -15.325 -11.396  -5.830
  100    HH   TYR  11           HH       TYR  11 -17.061 -10.062  -6.031
  101    H    ILE  12           H        ILE  12 -17.208 -18.902  -6.300
  102    HA   ILE  12           HA       ILE  12 -15.258 -20.931  -7.043
  103    HB   ILE  12           HB       ILE  12 -18.052 -21.168  -6.604
  104   1HG1  ILE  12          1HG1      ILE  12 -16.078 -22.235  -4.787
  105   2HG1  ILE  12          2HG1      ILE  12 -16.686 -20.732  -4.590
  106   1HG2  ILE  12          1HG2      ILE  12 -17.715 -23.586  -6.567
  107   2HG2  ILE  12          2HG2      ILE  12 -16.157 -23.349  -6.994
  108   3HG2  ILE  12          3HG2      ILE  12 -17.356 -22.958  -8.031
  109   1HD1  ILE  12          1HD1      ILE  12 -17.783 -22.253  -3.132
  110   2HD1  ILE  12          2HD1      ILE  12 -18.244 -23.159  -4.409
  111   3HD1  ILE  12          3HD1      ILE  12 -18.851 -21.656  -4.213
  112    H    LEU  13           H        LEU  13 -14.390 -20.659  -9.062
  113    HA   LEU  13           HA       LEU  13 -16.140 -20.031 -11.294
  114   1HB   LEU  13          1HB       LEU  13 -13.258 -19.974 -11.125
  115   2HB   LEU  13          2HB       LEU  13 -14.080 -19.621 -12.492
  116    HG   LEU  13           HG       LEU  13 -14.274 -18.034 -10.111
  117   1HD1  LEU  13          1HD1      LEU  13 -12.777 -16.457 -11.182
  118   2HD1  LEU  13          2HD1      LEU  13 -12.591 -17.502 -12.423
  119   3HD1  LEU  13          3HD1      LEU  13 -12.029 -17.888 -10.939
  120   1HD2  LEU  13          1HD2      LEU  13 -15.206 -16.330 -11.505
  121   2HD2  LEU  13          2HD2      LEU  13 -16.124 -17.680 -11.537
  122   3HD2  LEU  13          3HD2      LEU  13 -15.124 -17.343 -12.783
  123    HXT  LEU  13           HXT      LEU  13 -14.423 -23.510 -11.914
  Start of MODEL   10
    1    HN   PCA   1           HN       PCA   1   6.432 -29.959   3.251
    2    HA   PCA   1           HA       PCA   1   6.928 -27.424   2.765
    3   1HB   PCA   1          1HB       PCA   1   5.464 -26.572   1.178
    4   2HB   PCA   1          2HB       PCA   1   4.202 -27.399   1.804
    5   1HG   PCA   1          1HG       PCA   1   4.525 -28.748  -0.010
    6   2HG   PCA   1          2HG       PCA   1   6.094 -28.320  -0.154
    7    H    LEU   2           H        LEU   2   6.561 -25.929   4.380
    8    HA   LEU   2           HA       LEU   2   5.320 -26.927   6.661
    9   1HB   LEU   2          1HB       LEU   2   6.774 -25.833   8.084
   10   2HB   LEU   2          2HB       LEU   2   7.705 -26.703   7.063
   11    HG   LEU   2           HG       LEU   2   7.357 -23.888   6.768
   12   1HD1  LEU   2          1HD1      LEU   2   9.503 -23.614   7.902
   13   2HD1  LEU   2          2HD1      LEU   2   9.527 -25.220   8.196
   14   3HD1  LEU   2          3HD1      LEU   2   8.399 -24.276   8.906
   15   1HD2  LEU   2          1HD2      LEU   2   9.377 -23.908   5.494
   16   2HD2  LEU   2          2HD2      LEU   2   8.232 -24.848   4.808
   17   3HD2  LEU   2          3HD2      LEU   2   9.449 -25.531   5.656
   18    H    TYR   3           H        TYR   3   5.647 -24.104   4.658
   19    HA   TYR   3           HA       TYR   3   3.017 -23.204   5.570
   20   1HB   TYR   3          1HB       TYR   3   4.702 -22.052   6.901
   21   2HB   TYR   3          2HB       TYR   3   5.237 -21.371   5.516
   22    HD1  TYR   3           HD1      TYR   3   3.925 -19.587   4.402
   23    HD2  TYR   3           HD2      TYR   3   2.651 -21.269   7.976
   24    HE1  TYR   3           HE1      TYR   3   2.335 -17.820   4.670
   25    HE2  TYR   3           HE2      TYR   3   1.078 -19.490   8.249
   26    HH   TYR   3           HH       TYR   3   0.170 -17.635   7.502
   27    H    GLU   4           H        GLU   4   1.795 -23.403   3.716
   28    HA   GLU   4           HA       GLU   4   2.941 -22.630   1.193
   29   1HB   GLU   4          1HB       GLU   4   0.350 -23.717   1.819
   30   2HB   GLU   4          2HB       GLU   4   0.734 -23.235   0.307
   31   1HG   GLU   4          1HG       GLU   4   2.546 -24.910   0.392
   32   2HG   GLU   4          2HG       GLU   4   1.805 -25.498   1.723
   33    H    ASN   5           H        ASN   5   3.172 -20.515   0.610
   34    HA   ASN   5           HA       ASN   5   1.224 -18.495   1.401
   35   1HB   ASN   5          1HB       ASN   5   3.649 -18.144   1.320
   36   2HB   ASN   5          2HB       ASN   5   3.522 -18.187  -0.308
   37   1HD2  ASN   5          1HD2      ASN   5   3.021 -16.263   2.507
   38   2HD2  ASN   5          2HD2      ASN   5   2.599 -14.807   1.669
   39    H    LYS   6           H        LYS   6  -0.763 -19.148   0.600
   40    HA   LYS   6           HA       LYS   6  -1.097 -18.790  -2.278
   41   1HB   LYS   6          1HB       LYS   6  -2.088 -21.049  -0.790
   42   2HB   LYS   6          2HB       LYS   6  -2.706 -20.642  -2.246
   43   1HG   LYS   6          1HG       LYS   6  -0.599 -21.100  -3.264
   44   2HG   LYS   6          2HG       LYS   6   0.012 -21.517  -1.808
   45   1HD   LYS   6          1HD       LYS   6  -1.554 -23.330  -1.695
   46   2HD   LYS   6          2HD       LYS   6  -2.099 -22.931  -3.182
   47   1HE   LYS   6          1HE       LYS   6   0.620 -23.769  -2.758
   48   2HE   LYS   6          2HE       LYS   6  -0.563 -24.843  -3.097
   49   1HZ   LYS   6          1HZ       LYS   6   0.602 -24.271  -5.045
   50   2HZ   LYS   6          2HZ       LYS   6   0.233 -22.698  -4.810
   51   3HZ   LYS   6          3HZ       LYS   6  -0.949 -23.773  -5.148
   52    HA   PRO   7           HA       PRO   7  -4.418 -16.233  -0.442
   53   1HB   PRO   7          1HB       PRO   7  -5.108 -14.818  -2.572
   54   2HB   PRO   7          2HB       PRO   7  -3.696 -14.476  -1.827
   55   1HG   PRO   7          1HG       PRO   7  -4.072 -16.062  -4.213
   56   2HG   PRO   7          2HG       PRO   7  -2.943 -14.909  -3.961
   57   1HD   PRO   7          1HD       PRO   7  -2.346 -17.452  -3.667
   58   2HD   PRO   7          2HD       PRO   7  -1.607 -16.315  -2.756
   59    H    ARG   8           H        ARG   8  -6.555 -16.057  -0.118
   60    HA   ARG   8           HA       ARG   8  -8.016 -18.354  -1.024
   61   1HB   ARG   8          1HB       ARG   8  -8.712 -16.223   0.813
   62   2HB   ARG   8          2HB       ARG   8  -9.736 -17.452   0.485
   63   1HG   ARG   8          1HG       ARG   8  -7.192 -17.903   1.748
   64   2HG   ARG   8          2HG       ARG   8  -8.546 -17.615   2.614
   65   1HD   ARG   8          1HD       ARG   8  -9.522 -19.613   1.697
   66   2HD   ARG   8          2HD       ARG   8  -8.120 -19.914   0.915
   67    HE   ARG   8           HE       ARG   8  -8.604 -20.247   3.738
   68   1HH1  ARG   8          1HH1      ARG   8  -6.083 -20.283   1.240
   69   2HH1  ARG   8          2HH1      ARG   8  -5.014 -21.205   2.243
   70   1HH2  ARG   8          1HH2      ARG   8  -7.187 -21.432   4.898
   71   2HH2  ARG   8          2HH2      ARG   8  -5.626 -21.840   4.268
   72    H    ARG   9           H        ARG   9  -9.207 -18.552  -2.865
   73    HA   ARG   9           HA       ARG   9 -10.335 -16.237  -4.120
   74   1HB   ARG   9          1HB       ARG   9 -10.542 -19.043  -4.774
   75   2HB   ARG   9          2HB       ARG   9 -11.330 -17.901  -5.636
   76   1HG   ARG   9          1HG       ARG   9  -9.181 -16.994  -6.280
   77   2HG   ARG   9          2HG       ARG   9  -8.472 -18.266  -5.541
   78   1HD   ARG   9          1HD       ARG   9  -8.521 -18.804  -7.798
   79   2HD   ARG   9          2HD       ARG   9  -9.688 -19.716  -7.109
   80    HE   ARG   9           HE       ARG   9 -10.620 -17.201  -8.118
   81   1HH1  ARG   9          1HH1      ARG   9 -10.210 -20.602  -9.086
   82   2HH1  ARG   9          2HH1      ARG   9 -11.437 -20.451 -10.299
   83   1HH2  ARG   9          1HH2      ARG   9 -12.171 -17.189  -9.653
   84   2HH2  ARG   9          2HH2      ARG   9 -12.499 -18.599 -10.605
   85    HA   PRO  10           HA       PRO  10 -14.254 -16.798  -1.780
   86   1HB   PRO  10          1HB       PRO  10 -15.334 -14.414  -2.190
   87   2HB   PRO  10          2HB       PRO  10 -14.113 -14.548  -1.113
   88   1HG   PRO  10          1HG       PRO  10 -13.944 -13.614  -3.841
   89   2HG   PRO  10          2HG       PRO  10 -13.222 -12.966  -2.526
   90   1HD   PRO  10          1HD       PRO  10 -11.907 -14.574  -4.160
   91   2HD   PRO  10          2HD       PRO  10 -11.519 -14.473  -2.577
   92    H    TYR  11           H        TYR  11 -14.505 -15.619  -5.058
   93    HA   TYR  11           HA       TYR  11 -16.905 -17.209  -5.423
   94   1HB   TYR  11          1HB       TYR  11 -17.162 -16.110  -7.452
   95   2HB   TYR  11          2HB       TYR  11 -16.872 -14.996  -6.293
   96    HD1  TYR  11           HD1      TYR  11 -15.563 -16.466  -9.285
   97    HD2  TYR  11           HD2      TYR  11 -14.895 -13.551  -6.407
   98    HE1  TYR  11           HE1      TYR  11 -13.851 -15.509 -10.649
   99    HE2  TYR  11           HE2      TYR  11 -13.178 -12.600  -7.776
  100    HH   TYR  11           HH       TYR  11 -11.994 -12.648  -9.652
  101    H    ILE  12           H        ILE  12 -17.152 -19.177  -6.281
  102    HA   ILE  12           HA       ILE  12 -14.826 -20.492  -7.391
  103    HB   ILE  12           HB       ILE  12 -16.153 -22.461  -7.441
  104   1HG1  ILE  12          1HG1      ILE  12 -18.023 -21.336  -5.605
  105   2HG1  ILE  12          2HG1      ILE  12 -18.334 -21.431  -7.206
  106   1HG2  ILE  12          1HG2      ILE  12 -15.815 -22.916  -5.057
  107   2HG2  ILE  12          2HG2      ILE  12 -15.582 -21.318  -4.819
  108   3HG2  ILE  12          3HG2      ILE  12 -14.520 -22.173  -5.718
  109   1HD1  ILE  12          1HD1      ILE  12 -19.360 -23.245  -6.066
  110   2HD1  ILE  12          2HD1      ILE  12 -17.907 -23.715  -5.488
  111   3HD1  ILE  12          3HD1      ILE  12 -18.219 -23.810  -7.088
  112    H    LEU  13           H        LEU  13 -14.351 -19.622  -9.369
  113    HA   LEU  13           HA       LEU  13 -16.120 -20.376 -11.571
  114   1HB   LEU  13          1HB       LEU  13 -16.390 -17.989 -10.983
  115   2HB   LEU  13          2HB       LEU  13 -14.873 -17.785 -11.552
  116    HG   LEU  13           HG       LEU  13 -15.751 -18.688 -13.680
  117   1HD1  LEU  13          1HD1      LEU  13 -18.094 -18.339 -14.088
  118   2HD1  LEU  13          2HD1      LEU  13 -18.297 -17.940 -12.518
  119   3HD1  LEU  13          3HD1      LEU  13 -17.868 -19.462 -12.925
  120   1HD2  LEU  13          1HD2      LEU  13 -16.491 -16.508 -14.412
  121   2HD2  LEU  13          2HD2      LEU  13 -15.152 -16.382 -13.486
  122   3HD2  LEU  13          3HD2      LEU  13 -16.618 -16.043 -12.852
  123    HXT  LEU  13           HXT      LEU  13 -13.280 -21.288 -13.302
  Start of MODEL   11
    1    HN   PCA   1           HN       PCA   1   9.045 -26.375   5.947
    2    HA   PCA   1           HA       PCA   1   8.997 -24.417   4.191
    3   1HB   PCA   1          1HB       PCA   1   7.481 -24.859   2.487
    4   2HB   PCA   1          2HB       PCA   1   6.403 -25.510   3.527
    5   1HG   PCA   1          1HG       PCA   1   7.145 -27.482   2.644
    6   2HG   PCA   1          2HG       PCA   1   8.585 -26.843   2.212
    7    H    LEU   2           H        LEU   2   8.178 -22.428   4.786
    8    HA   LEU   2           HA       LEU   2   7.001 -22.336   7.294
    9   1HB   LEU   2          1HB       LEU   2   8.136 -20.450   7.971
   10   2HB   LEU   2          2HB       LEU   2   9.279 -21.524   7.513
   11    HG   LEU   2           HG       LEU   2   8.513 -19.326   5.863
   12   1HD1  LEU   2          1HD1      LEU   2  10.491 -18.161   6.698
   13   2HD1  LEU   2          2HD1      LEU   2  10.744 -19.388   7.744
   14   3HD1  LEU   2          3HD1      LEU   2   9.429 -18.434   7.907
   15   1HD2  LEU   2          1HD2      LEU   2  10.604 -19.607   4.747
   16   2HD2  LEU   2          2HD2      LEU   2   9.680 -20.948   4.626
   17   3HD2  LEU   2          3HD2      LEU   2  10.919 -20.903   5.689
   18    H    TYR   3           H        TYR   3   7.049 -20.886   4.130
   19    HA   TYR   3           HA       TYR   3   4.453 -19.612   4.695
   20   1HB   TYR   3          1HB       TYR   3   6.325 -18.217   3.940
   21   2HB   TYR   3          2HB       TYR   3   6.248 -19.013   2.516
   22    HD1  TYR   3           HD1      TYR   3   4.407 -18.569   0.923
   23    HD2  TYR   3           HD2      TYR   3   4.649 -16.523   4.528
   24    HE1  TYR   3           HE1      TYR   3   2.740 -17.031   0.166
   25    HE2  TYR   3           HE2      TYR   3   2.996 -14.977   3.757
   26    HH   TYR   3           HH       TYR   3   1.614 -14.310   2.162
   27    H    GLU   4           H        GLU   4   2.712 -20.830   4.270
   28    HA   GLU   4           HA       GLU   4   2.745 -22.746   2.125
   29   1HB   GLU   4          1HB       GLU   4   0.852 -22.056   4.184
   30   2HB   GLU   4          2HB       GLU   4   0.337 -22.960   2.924
   31   1HG   GLU   4          1HG       GLU   4   2.488 -23.819   4.638
   32   2HG   GLU   4          2HG       GLU   4   0.934 -24.228   4.928
   33    H    ASN   5           H        ASN   5   2.450 -22.354   0.012
   34    HA   ASN   5           HA       ASN   5   0.925 -20.029  -0.876
   35   1HB   ASN   5          1HB       ASN   5   3.064 -20.728  -1.847
   36   2HB   ASN   5          2HB       ASN   5   2.269 -22.002  -2.490
   37   1HD2  ASN   5          1HD2      ASN   5   2.746 -18.573  -2.707
   38   2HD2  ASN   5          2HD2      ASN   5   1.984 -18.383  -4.250
   39    H    LYS   6           H        LYS   6  -1.168 -20.306  -0.164
   40    HA   LYS   6           HA       LYS   6  -2.703 -22.437  -1.492
   41   1HB   LYS   6          1HB       LYS   6  -2.941 -21.611   1.252
   42   2HB   LYS   6          2HB       LYS   6  -4.047 -22.553   0.505
   43   1HG   LYS   6          1HG       LYS   6  -1.326 -23.376   0.959
   44   2HG   LYS   6          2HG       LYS   6  -2.557 -23.768   1.958
   45   1HD   LYS   6          1HD       LYS   6  -2.434 -24.671  -0.770
   46   2HD   LYS   6          2HD       LYS   6  -1.861 -25.555   0.479
   47   1HE   LYS   6          1HE       LYS   6  -4.086 -25.675   1.381
   48   2HE   LYS   6          2HE       LYS   6  -4.638 -24.855   0.081
   49   1HZ   LYS   6          1HZ       LYS   6  -4.958 -27.166  -0.215
   50   2HZ   LYS   6          2HZ       LYS   6  -3.356 -27.413  -0.026
   51   3HZ   LYS   6          3HZ       LYS   6  -3.908 -26.593  -1.326
   52    HA   PRO   7           HA       PRO   7  -4.680 -18.606  -2.949
   53   1HB   PRO   7          1HB       PRO   7  -6.214 -20.519  -4.549
   54   2HB   PRO   7          2HB       PRO   7  -5.528 -19.144  -5.101
   55   1HG   PRO   7          1HG       PRO   7  -4.381 -21.372  -5.663
   56   2HG   PRO   7          2HG       PRO   7  -3.435 -20.111  -5.236
   57   1HD   PRO   7          1HD       PRO   7  -4.196 -22.359  -3.603
   58   2HD   PRO   7          2HD       PRO   7  -2.754 -21.592  -3.627
   59    H    ARG   8           H        ARG   8  -5.893 -17.340  -1.877
   60    HA   ARG   8           HA       ARG   8  -8.444 -18.401  -0.873
   61   1HB   ARG   8          1HB       ARG   8  -8.313 -16.955   0.930
   62   2HB   ARG   8          2HB       ARG   8  -7.026 -17.961   0.899
   63   1HG   ARG   8          1HG       ARG   8  -5.624 -16.178   0.235
   64   2HG   ARG   8          2HG       ARG   8  -6.905 -15.166   0.201
   65   1HD   ARG   8          1HD       ARG   8  -7.161 -15.419   2.569
   66   2HD   ARG   8          2HD       ARG   8  -5.869 -16.418   2.598
   67    HE   ARG   8           HE       ARG   8  -4.946 -14.121   1.423
   68   1HH1  ARG   8          1HH1      ARG   8  -6.185 -14.943   4.641
   69   2HH1  ARG   8          2HH1      ARG   8  -5.320 -13.637   5.380
   70   1HH2  ARG   8          1HH2      ARG   8  -3.913 -12.497   2.458
   71   2HH2  ARG   8          2HH2      ARG   8  -4.063 -12.284   4.170
   72    H    ARG   9           H        ARG   9  -9.893 -18.059  -2.494
   73    HA   ARG   9           HA       ARG   9 -10.631 -15.271  -2.883
   74   1HB   ARG   9          1HB       ARG   9 -10.314 -17.148  -5.048
   75   2HB   ARG   9          2HB       ARG   9 -11.195 -15.784  -5.217
   76   1HG   ARG   9          1HG       ARG   9  -9.201 -14.493  -4.829
   77   2HG   ARG   9          2HG       ARG   9  -8.344 -15.882  -4.776
   78   1HD   ARG   9          1HD       ARG   9  -8.874 -16.313  -7.054
   79   2HD   ARG   9          2HD       ARG   9  -9.774 -14.951  -7.113
   80    HE   ARG   9           HE       ARG   9  -7.876 -13.613  -7.227
   81   1HH1  ARG   9          1HH1      ARG   9  -6.933 -17.009  -6.839
   82   2HH1  ARG   9          2HH1      ARG   9  -5.287 -16.668  -7.257
   83   1HH2  ARG   9          1HH2      ARG   9  -5.776 -13.302  -7.746
   84   2HH2  ARG   9          2HH2      ARG   9  -4.649 -14.617  -7.758
   85    HA   PRO  10           HA       PRO  10 -14.605 -17.268  -1.965
   86   1HB   PRO  10          1HB       PRO  10 -16.217 -15.134  -1.827
   87   2HB   PRO  10          2HB       PRO  10 -15.080 -15.307  -0.667
   88   1HG   PRO  10          1HG       PRO  10 -14.921 -13.640  -3.028
   89   2HG   PRO  10          2HG       PRO  10 -14.539 -13.219  -1.497
   90   1HD   PRO  10          1HD       PRO  10 -12.671 -13.978  -3.191
   91   2HD   PRO  10          2HD       PRO  10 -12.513 -14.263  -1.591
   92    H    TYR  11           H        TYR  11 -14.166 -16.058  -5.002
   93    HA   TYR  11           HA       TYR  11 -16.757 -16.894  -5.957
   94   1HB   TYR  11          1HB       TYR  11 -14.472 -15.780  -7.339
   95   2HB   TYR  11          2HB       TYR  11 -15.834 -16.221  -8.126
   96    HD1  TYR  11           HD1      TYR  11 -17.911 -14.872  -7.888
   97    HD2  TYR  11           HD2      TYR  11 -14.335 -13.653  -6.169
   98    HE1  TYR  11           HE1      TYR  11 -18.809 -12.676  -7.571
   99    HE2  TYR  11           HE2      TYR  11 -15.241 -11.463  -5.845
  100    HH   TYR  11           HH       TYR  11 -16.915 -10.055  -6.066
  101    H    ILE  12           H        ILE  12 -17.300 -18.987  -6.373
  102    HA   ILE  12           HA       ILE  12 -15.274 -20.943  -6.827
  103    HB   ILE  12           HB       ILE  12 -17.028 -22.487  -7.087
  104   1HG1  ILE  12          1HG1      ILE  12 -19.207 -22.007  -6.058
  105   2HG1  ILE  12          2HG1      ILE  12 -18.887 -20.447  -6.423
  106   1HG2  ILE  12          1HG2      ILE  12 -17.549 -22.553  -4.645
  107   2HG2  ILE  12          2HG2      ILE  12 -16.960 -21.034  -4.533
  108   3HG2  ILE  12          3HG2      ILE  12 -15.965 -22.269  -4.920
  109   1HD1  ILE  12          1HD1      ILE  12 -20.281 -21.405  -8.082
  110   2HD1  ILE  12          2HD1      ILE  12 -19.162 -22.558  -8.373
  111   3HD1  ILE  12          3HD1      ILE  12 -18.842 -20.999  -8.738
  112    H    LEU  13           H        LEU  13 -14.633 -22.153  -8.574
  113    HA   LEU  13           HA       LEU  13 -15.705 -21.479 -11.191
  114   1HB   LEU  13          1HB       LEU  13 -12.925 -21.143 -10.547
  115   2HB   LEU  13          2HB       LEU  13 -13.471 -21.224 -12.084
  116    HG   LEU  13           HG       LEU  13 -14.219 -19.130 -10.278
  117   1HD1  LEU  13          1HD1      LEU  13 -12.637 -17.709 -11.432
  118   2HD1  LEU  13          2HD1      LEU  13 -12.138 -18.999 -12.301
  119   3HD1  LEU  13          3HD1      LEU  13 -11.872 -18.947 -10.691
  120   1HD2  LEU  13          1HD2      LEU  13 -14.944 -17.926 -12.218
  121   2HD2  LEU  13          2HD2      LEU  13 -15.765 -19.328 -12.056
  122   3HD2  LEU  13          3HD2      LEU  13 -14.556 -19.211 -13.147
  123    HXT  LEU  13           HXT      LEU  13 -15.116 -24.828 -11.906
  Start of MODEL   12
    1    HN   PCA   1           HN       PCA   1  -5.970 -29.966   6.897
    2    HA   PCA   1           HA       PCA   1  -4.509 -31.939   6.449
    3   1HB   PCA   1          1HB       PCA   1  -5.987 -33.515   5.615
    4   2HB   PCA   1          2HB       PCA   1  -5.547 -32.935   4.153
    5   1HG   PCA   1          1HG       PCA   1  -7.488 -31.796   3.909
    6   2HG   PCA   1          2HG       PCA   1  -8.059 -32.780   5.080
    7    H    LEU   2           H        LEU   2  -4.936 -29.384   4.266
    8    HA   LEU   2           HA       LEU   2  -2.593 -29.957   2.832
    9   1HB   LEU   2          1HB       LEU   2  -4.532 -30.079   1.317
   10   2HB   LEU   2          2HB       LEU   2  -4.846 -28.524   1.706
   11    HG   LEU   2           HG       LEU   2  -2.742 -27.926   0.705
   12   1HD1  LEU   2          1HD1      LEU   2  -1.676 -29.431  -0.818
   13   2HD1  LEU   2          2HD1      LEU   2  -2.689 -30.618  -0.338
   14   3HD1  LEU   2          3HD1      LEU   2  -1.604 -29.996   0.712
   15   1HD2  LEU   2          1HD2      LEU   2  -3.554 -28.062  -1.578
   16   2HD2  LEU   2          2HD2      LEU   2  -4.757 -27.631  -0.562
   17   3HD2  LEU   2          3HD2      LEU   2  -4.656 -29.169  -1.101
   18    H    TYR   3           H        TYR   3  -1.054 -28.378   2.783
   19    HA   TYR   3           HA       TYR   3  -1.289 -26.206   4.656
   20   1HB   TYR   3          1HB       TYR   3   0.756 -27.485   4.167
   21   2HB   TYR   3          2HB       TYR   3   0.799 -26.747   2.710
   22    HD1  TYR   3           HD1      TYR   3   1.375 -26.244   6.222
   23    HD2  TYR   3           HD2      TYR   3   1.614 -24.457   2.484
   24    HE1  TYR   3           HE1      TYR   3   2.674 -24.465   7.152
   25    HE2  TYR   3           HE2      TYR   3   2.897 -22.672   3.423
   26    HH   TYR   3           HH       TYR   3   3.860 -21.747   5.168
   27    H    GLU   4           H        GLU   4  -2.192 -24.259   4.489
   28    HA   GLU   4           HA       GLU   4  -2.884 -23.141   1.937
   29   1HB   GLU   4          1HB       GLU   4  -4.193 -22.821   3.946
   30   2HB   GLU   4          2HB       GLU   4  -2.984 -21.902   4.547
   31   1HG   GLU   4          1HG       GLU   4  -4.713 -20.507   3.817
   32   2HG   GLU   4          2HG       GLU   4  -3.399 -20.265   2.878
   33    H    ASN   5           H        ASN   5  -1.963 -21.741   0.572
   34    HA   ASN   5           HA       ASN   5   0.552 -20.452   1.306
   35   1HB   ASN   5          1HB       ASN   5   1.150 -22.657   0.581
   36   2HB   ASN   5          2HB       ASN   5   0.445 -22.352  -0.860
   37   1HD2  ASN   5          1HD2      ASN   5   3.221 -21.675   1.121
   38   2HD2  ASN   5          2HD2      ASN   5   4.190 -21.024  -0.158
   39    H    LYS   6           H        LYS   6  -1.343 -20.872  -1.661
   40    HA   LYS   6           HA       LYS   6  -0.978 -18.047  -2.273
   41   1HB   LYS   6          1HB       LYS   6  -2.004 -20.211  -3.879
   42   2HB   LYS   6          2HB       LYS   6  -1.955 -18.665  -4.402
   43   1HG   LYS   6          1HG       LYS   6   0.424 -18.717  -4.334
   44   2HG   LYS   6          2HG       LYS   6   0.376 -20.263  -3.808
   45   1HD   LYS   6          1HD       LYS   6   0.874 -20.443  -6.029
   46   2HD   LYS   6          2HD       LYS   6  -0.716 -20.808  -5.946
   47   1HE   LYS   6          1HE       LYS   6  -1.249 -18.597  -6.702
   48   2HE   LYS   6          2HE       LYS   6   0.346 -18.264  -6.820
   49   1HZ   LYS   6          1HZ       LYS   6  -0.524 -18.848  -8.924
   50   2HZ   LYS   6          2HZ       LYS   6  -1.016 -20.284  -8.324
   51   3HZ   LYS   6          3HZ       LYS   6   0.578 -19.951  -8.442
   52    HA   PRO   7           HA       PRO   7  -4.871 -17.357  -0.148
   53   1HB   PRO   7          1HB       PRO   7  -4.698 -14.728  -1.452
   54   2HB   PRO   7          2HB       PRO   7  -5.074 -14.990   0.116
   55   1HG   PRO   7          1HG       PRO   7  -2.692 -14.195  -0.432
   56   2HG   PRO   7          2HG       PRO   7  -2.867 -15.360   0.699
   57   1HD   PRO   7          1HD       PRO   7  -1.988 -15.673  -2.016
   58   2HD   PRO   7          2HD       PRO   7  -1.510 -16.528  -0.709
   59    H    ARG   8           H        ARG   8  -6.706 -18.126  -0.277
   60    HA   ARG   8           HA       ARG   8  -7.853 -18.548  -2.841
   61   1HB   ARG   8          1HB       ARG   8  -9.469 -19.822  -1.632
   62   2HB   ARG   8          2HB       ARG   8  -7.966 -20.204  -1.120
   63   1HG   ARG   8          1HG       ARG   8  -8.307 -18.995   0.876
   64   2HG   ARG   8          2HG       ARG   8  -9.780 -18.516   0.357
   65   1HD   ARG   8          1HD       ARG   8  -9.185 -21.293   0.846
   66   2HD   ARG   8          2HD       ARG   8  -9.806 -20.328   2.009
   67    HE   ARG   8           HE       ARG   8 -11.469 -20.058  -0.180
   68   1HH1  ARG   8          1HH1      ARG   8 -10.684 -22.642   2.110
   69   2HH1  ARG   8          2HH1      ARG   8 -12.220 -23.407   1.878
   70   1HH2  ARG   8          1HH2      ARG   8 -13.373 -21.099  -0.399
   71   2HH2  ARG   8          2HH2      ARG   8 -13.712 -22.549   0.485
   72    H    ARG   9           H        ARG   9  -9.389 -17.700  -4.079
   73    HA   ARG   9           HA       ARG   9 -10.567 -15.237  -3.238
   74   1HB   ARG   9          1HB       ARG   9 -10.767 -16.762  -5.699
   75   2HB   ARG   9          2HB       ARG   9 -11.634 -15.393  -5.496
   76   1HG   ARG   9          1HG       ARG   9  -9.588 -14.150  -5.328
   77   2HG   ARG   9          2HG       ARG   9  -8.750 -15.524  -5.605
   78   1HD   ARG   9          1HD       ARG   9  -9.662 -15.661  -7.794
   79   2HD   ARG   9          2HD       ARG   9 -10.556 -14.322  -7.519
   80    HE   ARG   9           HE       ARG   9  -8.722 -12.946  -7.835
   81   1HH1  ARG   9          1HH1      ARG   9  -7.658 -16.329  -7.841
   82   2HH1  ARG   9          2HH1      ARG   9  -6.085 -15.901  -8.429
   83   1HH2  ARG   9          1HH2      ARG   9  -6.705 -12.525  -8.568
   84   2HH2  ARG   9          2HH2      ARG   9  -5.561 -13.799  -8.829
   85    HA   PRO  10           HA       PRO  10 -14.548 -16.708  -1.813
   86   1HB   PRO  10          1HB       PRO  10 -16.079 -14.544  -2.116
   87   2HB   PRO  10          2HB       PRO  10 -14.939 -14.556  -0.946
   88   1HG   PRO  10          1HG       PRO  10 -14.746 -13.339  -3.561
   89   2HG   PRO  10          2HG       PRO  10 -14.286 -12.692  -2.134
   90   1HD   PRO  10          1HD       PRO  10 -12.518 -13.815  -3.716
   91   2HD   PRO  10          2HD       PRO  10 -12.330 -13.871  -2.095
   92    H    TYR  11           H        TYR  11 -14.872 -15.346  -5.012
   93    HA   TYR  11           HA       TYR  11 -16.925 -17.259  -5.665
   94   1HB   TYR  11          1HB       TYR  11 -16.994 -16.281  -7.750
   95   2HB   TYR  11          2HB       TYR  11 -16.971 -15.095  -6.627
   96    HD1  TYR  11           HD1      TYR  11 -14.994 -13.586  -6.440
   97    HD2  TYR  11           HD2      TYR  11 -15.287 -16.421  -9.457
   98    HE1  TYR  11           HE1      TYR  11 -13.190 -12.535  -7.607
   99    HE2  TYR  11           HE2      TYR  11 -13.497 -15.354 -10.629
  100    HH   TYR  11           HH       TYR  11 -11.975 -13.749 -10.722
  101    H    ILE  12           H        ILE  12 -16.711 -19.356  -6.015
  102    HA   ILE  12           HA       ILE  12 -14.182 -20.411  -7.033
  103    HB   ILE  12           HB       ILE  12 -15.164 -21.348  -5.082
  104   1HG1  ILE  12          1HG1      ILE  12 -14.843 -23.423  -7.064
  105   2HG1  ILE  12          2HG1      ILE  12 -13.564 -22.557  -6.534
  106   1HG2  ILE  12          1HG2      ILE  12 -16.937 -22.950  -5.215
  107   2HG2  ILE  12          2HG2      ILE  12 -17.202 -22.496  -6.761
  108   3HG2  ILE  12          3HG2      ILE  12 -17.446 -21.434  -5.545
  109   1HD1  ILE  12          1HD1      ILE  12 -13.651 -24.652  -5.419
  110   2HD1  ILE  12          2HD1      ILE  12 -15.151 -24.309  -4.873
  111   3HD1  ILE  12          3HD1      ILE  12 -13.872 -23.444  -4.343
  112    H    LEU  13           H        LEU  13 -13.718 -21.246  -8.970
  113    HA   LEU  13           HA       LEU  13 -15.738 -20.996 -11.035
  114   1HB   LEU  13          1HB       LEU  13 -12.883 -21.309 -11.236
  115   2HB   LEU  13          2HB       LEU  13 -13.858 -21.297 -12.546
  116    HG   LEU  13           HG       LEU  13 -12.764 -19.352 -12.497
  117   1HD1  LEU  13          1HD1      LEU  13 -14.488 -17.668 -12.405
  118   2HD1  LEU  13          2HD1      LEU  13 -15.466 -18.754 -11.677
  119   3HD1  LEU  13          3HD1      LEU  13 -14.969 -19.004 -13.212
  120   1HD2  LEU  13          1HD2      LEU  13 -12.782 -17.734 -10.726
  121   2HD2  LEU  13          2HD2      LEU  13 -12.034 -19.121 -10.298
  122   3HD2  LEU  13          3HD2      LEU  13 -13.554 -18.819  -9.782
  123    HXT  LEU  13           HXT      LEU  13 -14.537 -24.740 -10.797
  Start of MODEL   13
    1    HN   PCA   1           HN       PCA   1  11.920 -25.945  -0.240
    2    HA   PCA   1           HA       PCA   1   9.681 -24.819  -0.127
    3   1HB   PCA   1          1HB       PCA   1   9.430 -24.054  -2.297
    4   2HB   PCA   1          2HB       PCA   1   8.572 -25.430  -2.494
    5   1HG   PCA   1          1HG       PCA   1  10.252 -26.436  -3.641
    6   2HG   PCA   1          2HG       PCA   1  10.801 -24.917  -3.883
    7    H    LEU   2           H        LEU   2   7.852 -25.753   0.806
    8    HA   LEU   2           HA       LEU   2   7.482 -28.393   0.941
    9   1HB   LEU   2          1HB       LEU   2   9.258 -28.359   2.565
   10   2HB   LEU   2          2HB       LEU   2   8.342 -27.369   3.487
   11    HG   LEU   2           HG       LEU   2   6.731 -29.159   3.655
   12   1HD1  LEU   2          1HD1      LEU   2   7.425 -31.407   3.206
   13   2HD1  LEU   2          2HD1      LEU   2   8.803 -30.838   2.541
   14   3HD1  LEU   2          3HD1      LEU   2   7.365 -30.526   1.833
   15   1HD2  LEU   2          1HD2      LEU   2   7.968 -30.367   5.355
   16   2HD2  LEU   2          2HD2      LEU   2   8.236 -28.762   5.478
   17   3HD2  LEU   2          3HD2      LEU   2   9.354 -29.725   4.779
   18    H    TYR   3           H        TYR   3   6.645 -25.690   3.097
   19    HA   TYR   3           HA       TYR   3   3.805 -26.227   2.668
   20   1HB   TYR   3          1HB       TYR   3   4.786 -25.837   4.886
   21   2HB   TYR   3          2HB       TYR   3   5.020 -24.286   4.430
   22    HD1  TYR   3           HD1      TYR   3   3.081 -22.747   4.180
   23    HD2  TYR   3           HD2      TYR   3   2.586 -26.615   5.598
   24    HE1  TYR   3           HE1      TYR   3   0.879 -22.192   4.925
   25    HE2  TYR   3           HE2      TYR   3   0.391 -26.049   6.360
   26    HH   TYR   3           HH       TYR   3  -1.218 -24.561   6.569
   27    H    GLU   4           H        GLU   4   2.869 -25.541   0.825
   28    HA   GLU   4           HA       GLU   4   3.616 -23.039  -0.340
   29   1HB   GLU   4          1HB       GLU   4   2.149 -23.559  -2.067
   30   2HB   GLU   4          2HB       GLU   4   2.989 -24.910  -1.698
   31   1HG   GLU   4          1HG       GLU   4   1.113 -25.885  -0.718
   32   2HG   GLU   4          2HG       GLU   4   0.267 -24.493  -0.847
   33    H    ASN   5           H        ASN   5   2.670 -21.060  -0.567
   34    HA   ASN   5           HA       ASN   5   0.362 -20.510   1.183
   35   1HB   ASN   5          1HB       ASN   5   2.751 -18.943   0.886
   36   2HB   ASN   5          2HB       ASN   5   1.385 -18.325   1.533
   37   1HD2  ASN   5          1HD2      ASN   5   4.192 -20.173   2.168
   38   2HD2  ASN   5          2HD2      ASN   5   3.867 -20.460   3.844
   39    H    LYS   6           H        LYS   6  -1.381 -20.388  -0.201
   40    HA   LYS   6           HA       LYS   6  -1.168 -18.674  -2.593
   41   1HB   LYS   6          1HB       LYS   6  -0.910 -21.055  -3.089
   42   2HB   LYS   6          2HB       LYS   6  -2.444 -21.257  -2.565
   43   1HG   LYS   6          1HG       LYS   6  -2.857 -21.181  -4.728
   44   2HG   LYS   6          2HG       LYS   6  -2.941 -19.580  -4.419
   45   1HD   LYS   6          1HD       LYS   6  -0.536 -20.791  -5.408
   46   2HD   LYS   6          2HD       LYS   6  -1.692 -20.244  -6.424
   47   1HE   LYS   6          1HE       LYS   6  -0.220 -18.514  -4.656
   48   2HE   LYS   6          2HE       LYS   6   0.184 -18.751  -6.220
   49   1HZ   LYS   6          1HZ       LYS   6  -1.070 -16.780  -5.990
   50   2HZ   LYS   6          2HZ       LYS   6  -2.293 -17.632  -5.324
   51   3HZ   LYS   6          3HZ       LYS   6  -1.889 -17.869  -6.889
   52    HA   PRO   7           HA       PRO   7  -4.715 -16.920  -0.406
   53   1HB   PRO   7          1HB       PRO   7  -4.584 -15.084  -2.691
   54   2HB   PRO   7          2HB       PRO   7  -4.815 -14.653  -1.133
   55   1HG   PRO   7          1HG       PRO   7  -2.481 -14.297  -2.145
   56   2HG   PRO   7          2HG       PRO   7  -2.571 -14.880  -0.622
   57   1HD   PRO   7          1HD       PRO   7  -1.973 -16.341  -3.023
   58   2HD   PRO   7          2HD       PRO   7  -1.370 -16.596  -1.527
   59    H    ARG   8           H        ARG   8  -6.709 -17.325  -0.141
   60    HA   ARG   8           HA       ARG   8  -8.048 -18.770  -2.267
   61   1HB   ARG   8          1HB       ARG   8  -7.953 -19.482   0.099
   62   2HB   ARG   8          2HB       ARG   8  -8.973 -18.250   0.431
   63   1HG   ARG   8          1HG       ARG   8 -10.646 -19.298  -0.935
   64   2HG   ARG   8          2HG       ARG   8  -9.628 -20.549  -1.194
   65   1HD   ARG   8          1HD       ARG   8  -9.684 -21.062   1.148
   66   2HD   ARG   8          2HD       ARG   8 -10.736 -19.835   1.382
   67    HE   ARG   8           HE       ARG   8 -12.460 -21.023   0.297
   68   1HH1  ARG   8          1HH1      ARG   8  -9.509 -22.977   0.534
   69   2HH1  ARG   8          2HH1      ARG   8 -10.381 -24.443   0.235
   70   1HH2  ARG   8          1HH2      ARG   8 -13.453 -22.932  -0.047
   71   2HH2  ARG   8          2HH2      ARG   8 -12.561 -24.416  -0.086
   72    H    ARG   9           H        ARG   9  -9.373 -18.022  -3.781
   73    HA   ARG   9           HA       ARG   9 -10.485 -15.383  -3.524
   74   1HB   ARG   9          1HB       ARG   9 -10.490 -17.302  -5.667
   75   2HB   ARG   9          2HB       ARG   9 -11.436 -15.974  -5.758
   76   1HG   ARG   9          1HG       ARG   9  -9.617 -15.462  -7.022
   77   2HG   ARG   9          2HG       ARG   9  -9.376 -14.655  -5.622
   78   1HD   ARG   9          1HD       ARG   9  -7.776 -16.260  -4.945
   79   2HD   ARG   9          2HD       ARG   9  -8.049 -17.128  -6.301
   80    HE   ARG   9           HE       ARG   9  -6.545 -14.672  -6.122
   81   1HH1  ARG   9          1HH1      ARG   9  -7.833 -17.103  -8.359
   82   2HH1  ARG   9          2HH1      ARG   9  -6.800 -16.563  -9.640
   83   1HH2  ARG   9          1HH2      ARG   9  -5.296 -14.075  -7.806
   84   2HH2  ARG   9          2HH2      ARG   9  -5.397 -14.887  -9.333
   85    HA   PRO  10           HA       PRO  10 -14.416 -16.825  -1.793
   86   1HB   PRO  10          1HB       PRO  10 -15.316 -14.159  -2.616
   87   2HB   PRO  10          2HB       PRO  10 -15.572 -14.843  -1.155
   88   1HG   PRO  10          1HG       PRO  10 -13.770 -13.018  -1.339
   89   2HG   PRO  10          2HG       PRO  10 -13.447 -14.326  -0.416
   90   1HD   PRO  10          1HD       PRO  10 -12.477 -13.775  -3.072
   91   2HD   PRO  10          2HD       PRO  10 -11.664 -14.482  -1.845
   92    H    TYR  11           H        TYR  11 -14.722 -15.382  -4.943
   93    HA   TYR  11           HA       TYR  11 -16.878 -17.196  -5.578
   94   1HB   TYR  11          1HB       TYR  11 -17.016 -16.142  -7.617
   95   2HB   TYR  11          2HB       TYR  11 -16.910 -14.997  -6.457
   96    HD1  TYR  11           HD1      TYR  11 -14.942 -13.496  -6.349
   97    HD2  TYR  11           HD2      TYR  11 -15.342 -16.315  -9.368
   98    HE1  TYR  11           HE1      TYR  11 -13.190 -12.431  -7.581
   99    HE2  TYR  11           HE2      TYR  11 -13.595 -15.245 -10.599
  100    HH   TYR  11           HH       TYR  11 -12.096 -13.622 -10.751
  101    H    ILE  12           H        ILE  12 -16.747 -19.277  -6.061
  102    HA   ILE  12           HA       ILE  12 -14.300 -20.346  -7.301
  103    HB   ILE  12           HB       ILE  12 -15.020 -21.329  -5.322
  104   1HG1  ILE  12          1HG1      ILE  12 -15.084 -23.333  -7.407
  105   2HG1  ILE  12          2HG1      ILE  12 -13.708 -22.523  -7.064
  106   1HG2  ILE  12          1HG2      ILE  12 -16.823 -22.890  -5.218
  107   2HG2  ILE  12          2HG2      ILE  12 -17.334 -22.358  -6.675
  108   3HG2  ILE  12          3HG2      ILE  12 -17.333 -21.349  -5.391
  109   1HD1  ILE  12          1HD1      ILE  12 -13.679 -24.658  -6.024
  110   2HD1  ILE  12          2HD1      ILE  12 -15.058 -24.299  -5.227
  111   3HD1  ILE  12          3HD1      ILE  12 -13.682 -23.489  -4.884
  112    H    LEU  13           H        LEU  13 -14.182 -19.878  -9.409
  113    HA   LEU  13           HA       LEU  13 -16.495 -20.466 -11.132
  114   1HB   LEU  13          1HB       LEU  13 -15.636 -18.186 -11.075
  115   2HB   LEU  13          2HB       LEU  13 -14.232 -18.754 -11.685
  116    HG   LEU  13           HG       LEU  13 -15.489 -19.428 -13.651
  117   1HD1  LEU  13          1HD1      LEU  13 -17.573 -18.340 -14.107
  118   2HD1  LEU  13          2HD1      LEU  13 -17.574 -17.729 -12.593
  119   3HD1  LEU  13          3HD1      LEU  13 -17.702 -19.340 -12.823
  120   1HD2  LEU  13          1HD2      LEU  13 -15.463 -17.212 -14.630
  121   2HD2  LEU  13          2HD2      LEU  13 -14.121 -17.465 -13.735
  122   3HD2  LEU  13          3HD2      LEU  13 -15.347 -16.570 -13.133
  123    HXT  LEU  13           HXT      LEU  13 -13.265 -22.307 -12.333
  Start of MODEL   14
    1    HN   PCA   1           HN       PCA   1   7.070 -11.771   0.669
    2    HA   PCA   1           HA       PCA   1   5.726 -14.012   0.887
    3   1HB   PCA   1          1HB       PCA   1   3.831 -12.674  -0.846
    4   2HB   PCA   1          2HB       PCA   1   3.475 -13.693   0.380
    5   1HG   PCA   1          1HG       PCA   1   3.163 -11.076   0.646
    6   2HG   PCA   1          2HG       PCA   1   3.509 -12.017   1.936
    7    H    LEU   2           H        LEU   2   5.468 -15.592  -0.909
    8    HA   LEU   2           HA       LEU   2   6.694 -15.399  -3.040
    9   1HB   LEU   2          1HB       LEU   2   8.787 -16.208  -3.169
   10   2HB   LEU   2          2HB       LEU   2   8.789 -14.952  -2.125
   11    HG   LEU   2           HG       LEU   2   8.948 -17.663  -1.253
   12   1HD1  LEU   2          1HD1      LEU   2  11.354 -17.320  -1.026
   13   2HD1  LEU   2          2HD1      LEU   2  11.185 -15.845  -1.706
   14   3HD1  LEU   2          3HD1      LEU   2  10.897 -17.189  -2.588
   15   1HD2  LEU   2          1HD2      LEU   2   9.828 -16.804   0.796
   16   2HD2  LEU   2          2HD2      LEU   2   8.324 -16.235   0.513
   17   3HD2  LEU   2          3HD2      LEU   2   9.622 -15.285   0.234
   18    H    TYR   3           H        TYR   3   6.784 -18.000  -0.617
   19    HA   TYR   3           HA       TYR   3   5.516 -19.844  -2.500
   20   1HB   TYR   3          1HB       TYR   3   7.421 -20.459  -1.055
   21   2HB   TYR   3          2HB       TYR   3   6.376 -20.390   0.199
   22    HD1  TYR   3           HD1      TYR   3   4.603 -22.137   0.453
   23    HD2  TYR   3           HD2      TYR   3   7.450 -22.363  -2.562
   24    HE1  TYR   3           HE1      TYR   3   4.007 -24.417   0.053
   25    HE2  TYR   3           HE2      TYR   3   6.864 -24.652  -2.939
   26    HH   TYR   3           HH       TYR   3   5.617 -26.406  -2.415
   27    H    GLU   4           H        GLU   4   3.344 -19.394  -2.866
   28    HA   GLU   4           HA       GLU   4   1.561 -19.180  -0.601
   29   1HB   GLU   4          1HB       GLU   4   0.980 -18.039  -2.555
   30   2HB   GLU   4          2HB       GLU   4   0.966 -19.439  -3.398
   31   1HG   GLU   4          1HG       GLU   4  -1.229 -18.630  -2.970
   32   2HG   GLU   4          2HG       GLU   4  -0.991 -20.123  -2.352
   33    H    ASN   5           H        ASN   5   0.715 -20.655   0.640
   34    HA   ASN   5           HA       ASN   5   0.938 -23.442  -0.061
   35   1HB   ASN   5          1HB       ASN   5   0.110 -22.136   2.388
   36   2HB   ASN   5          2HB       ASN   5   0.082 -23.761   2.227
   37   1HD2  ASN   5          1HD2      ASN   5   2.073 -24.996   2.288
   38   2HD2  ASN   5          2HD2      ASN   5   3.514 -24.241   2.882
   39    H    LYS   6           H        LYS   6  -1.845 -21.313   0.598
   40    HA   LYS   6           HA       LYS   6  -3.529 -23.045  -1.005
   41   1HB   LYS   6          1HB       LYS   6  -4.037 -22.661   1.787
   42   2HB   LYS   6          2HB       LYS   6  -5.272 -22.958   0.761
   43   1HG   LYS   6          1HG       LYS   6  -4.262 -25.064   0.208
   44   2HG   LYS   6          2HG       LYS   6  -3.096 -24.770   1.314
   45   1HD   LYS   6          1HD       LYS   6  -5.867 -25.004   2.045
   46   2HD   LYS   6          2HD       LYS   6  -4.862 -26.292   2.040
   47   1HE   LYS   6          1HE       LYS   6  -4.399 -24.015   3.741
   48   2HE   LYS   6          2HE       LYS   6  -5.259 -25.310   4.241
   49   1HZ   LYS   6          1HZ       LYS   6  -3.033 -25.481   4.959
   50   2HZ   LYS   6          2HZ       LYS   6  -2.522 -25.388   3.411
   51   3HZ   LYS   6          3HZ       LYS   6  -3.382 -26.683   3.911
   52    HA   PRO   7           HA       PRO   7  -4.432 -18.637  -1.834
   53   1HB   PRO   7          1HB       PRO   7  -5.274 -18.806  -4.345
   54   2HB   PRO   7          2HB       PRO   7  -3.680 -18.971  -4.029
   55   1HG   PRO   7          1HG       PRO   7  -5.599 -21.086  -4.479
   56   2HG   PRO   7          2HG       PRO   7  -4.098 -20.963  -5.112
   57   1HD   PRO   7          1HD       PRO   7  -4.522 -22.478  -3.017
   58   2HD   PRO   7          2HD       PRO   7  -3.099 -21.695  -3.187
   59    H    ARG   8           H        ARG   8  -5.850 -17.297  -1.160
   60    HA   ARG   8           HA       ARG   8  -8.499 -18.333  -0.650
   61   1HB   ARG   8          1HB       ARG   8  -7.156 -15.931   0.248
   62   2HB   ARG   8          2HB       ARG   8  -8.705 -16.257   0.650
   63   1HG   ARG   8          1HG       ARG   8  -7.995 -18.143   1.902
   64   2HG   ARG   8          2HG       ARG   8  -6.445 -17.850   1.479
   65   1HD   ARG   8          1HD       ARG   8  -7.946 -15.951   3.044
   66   2HD   ARG   8          2HD       ARG   8  -7.079 -17.139   3.754
   67    HE   ARG   8           HE       ARG   8  -5.392 -15.785   1.999
   68   1HH1  ARG   8          1HH1      ARG   8  -6.977 -15.083   5.088
   69   2HH1  ARG   8          2HH1      ARG   8  -5.711 -14.002   5.567
   70   1HH2  ARG   8          1HH2      ARG   8  -3.823 -14.455   2.727
   71   2HH2  ARG   8          2HH2      ARG   8  -3.964 -13.655   4.257
   72    H    ARG   9           H        ARG   9  -9.929 -18.360  -2.322
   73    HA   ARG   9           HA       ARG   9 -10.552 -15.776  -3.547
   74   1HB   ARG   9          1HB       ARG   9 -11.010 -16.754  -5.603
   75   2HB   ARG   9          2HB       ARG   9  -9.451 -17.000  -5.184
   76   1HG   ARG   9          1HG       ARG   9  -9.914 -19.282  -4.744
   77   2HG   ARG   9          2HG       ARG   9 -11.487 -19.046  -5.115
   78   1HD   ARG   9          1HD       ARG   9 -10.908 -18.573  -7.369
   79   2HD   ARG   9          2HD       ARG   9  -9.322 -18.731  -7.011
   80    HE   ARG   9           HE       ARG   9 -10.281 -21.136  -6.292
   81   1HH1  ARG   9          1HH1      ARG   9 -10.402 -19.367  -9.360
   82   2HH1  ARG   9          2HH1      ARG   9 -10.583 -20.826 -10.274
   83   1HH2  ARG   9          1HH2      ARG   9 -10.569 -22.916  -7.557
   84   2HH2  ARG   9          2HH2      ARG   9 -10.676 -22.779  -9.280
   85    HA   PRO  10           HA       PRO  10 -14.575 -16.806  -1.803
   86   1HB   PRO  10          1HB       PRO  10 -15.831 -14.491  -2.145
   87   2HB   PRO  10          2HB       PRO  10 -14.662 -14.593  -1.009
   88   1HG   PRO  10          1HG       PRO  10 -14.424 -13.496  -3.670
   89   2HG   PRO  10          2HG       PRO  10 -13.829 -12.869  -2.284
   90   1HD   PRO  10          1HD       PRO  10 -12.298 -14.267  -3.913
   91   2HD   PRO  10          2HD       PRO  10 -12.015 -14.242  -2.305
   92    H    TYR  11           H        TYR  11 -14.869 -15.404  -5.002
   93    HA   TYR  11           HA       TYR  11 -17.083 -17.176  -5.569
   94   1HB   TYR  11          1HB       TYR  11 -17.278 -16.083  -7.595
   95   2HB   TYR  11          2HB       TYR  11 -17.180 -14.979  -6.396
   96    HD1  TYR  11           HD1      TYR  11 -15.299 -13.396  -6.295
   97    HD2  TYR  11           HD2      TYR  11 -15.579 -16.192  -9.349
   98    HE1  TYR  11           HE1      TYR  11 -13.603 -12.235  -7.518
   99    HE2  TYR  11           HE2      TYR  11 -13.879 -15.030 -10.565
  100    HH   TYR  11           HH       TYR  11 -12.466 -13.353 -10.709
  101    H    ILE  12           H        ILE  12 -17.065 -19.208  -6.285
  102    HA   ILE  12           HA       ILE  12 -14.534 -20.340  -7.201
  103    HB   ILE  12           HB       ILE  12 -15.573 -21.358  -5.476
  104   1HG1  ILE  12          1HG1      ILE  12 -15.466 -23.696  -6.212
  105   2HG1  ILE  12          2HG1      ILE  12 -15.378 -23.149  -7.749
  106   1HG2  ILE  12          1HG2      ILE  12 -17.528 -22.796  -5.701
  107   2HG2  ILE  12          2HG2      ILE  12 -17.774 -22.153  -7.182
  108   3HG2  ILE  12          3HG2      ILE  12 -17.885 -21.210  -5.854
  109   1HD1  ILE  12          1HD1      ILE  12 -13.222 -23.764  -6.977
  110   2HD1  ILE  12          2HD1      ILE  12 -13.352 -22.707  -5.740
  111   3HD1  ILE  12          3HD1      ILE  12 -13.264 -22.160  -7.276
  112    H    LEU  13           H        LEU  13 -14.147 -19.395  -9.154
  113    HA   LEU  13           HA       LEU  13 -15.743 -20.437 -11.400
  114   1HB   LEU  13          1HB       LEU  13 -15.468 -17.980 -11.064
  115   2HB   LEU  13          2HB       LEU  13 -13.928 -18.211 -11.556
  116    HG   LEU  13           HG       LEU  13 -14.924 -19.128 -13.622
  117   1HD1  LEU  13          1HD1      LEU  13 -17.088 -18.273 -14.230
  118   2HD1  LEU  13          2HD1      LEU  13 -17.253 -17.655 -12.728
  119   3HD1  LEU  13          3HD1      LEU  13 -17.196 -19.273 -12.944
  120   1HD2  LEU  13          1HD2      LEU  13 -15.085 -16.929 -14.628
  121   2HD2  LEU  13          2HD2      LEU  13 -13.790 -17.018 -13.638
  122   3HD2  LEU  13          3HD2      LEU  13 -15.151 -16.270 -13.136
  123    HXT  LEU  13           HXT      LEU  13 -11.964 -21.438 -11.577
  Start of MODEL   15
    1    HN   PCA   1           H25      PCA   1  -1.028 -26.673  11.040
    2    HA   PCA   1           H29      PCA   1   0.667 -28.606  10.523
    3   1HB   PCA   1          H17       PCA   1  -0.322 -30.689  10.777
    4   2HB   PCA   1          H19       PCA   1  -1.706 -30.188  10.068
    5   1HG   PCA   1          H21       PCA   1  -2.507 -30.153  12.199
    6   2HG   PCA   1          H23       PCA   1  -1.012 -30.028  12.846
    7    H    LEU   2           H        LEU   2  -1.848 -27.322   8.639
    8    HA   LEU   2           HA       LEU   2  -0.622 -28.053   6.226
    9   1HB   LEU   2          1HB       LEU   2  -2.754 -29.243   6.347
   10   2HB   LEU   2          2HB       LEU   2  -3.489 -27.792   6.491
   11    HG   LEU   2           HG       LEU   2  -2.605 -27.252   4.290
   12   1HD1  LEU   2          1HD1      LEU   2  -1.991 -29.044   2.829
   13   2HD1  LEU   2          2HD1      LEU   2  -2.058 -30.081   4.088
   14   3HD1  LEU   2          3HD1      LEU   2  -0.929 -28.902   4.060
   15   1HD2  LEU   2          1HD2      LEU   2  -4.352 -28.453   3.118
   16   2HD2  LEU   2          2HD2      LEU   2  -4.910 -27.858   4.533
   17   3HD2  LEU   2          3HD2      LEU   2  -4.518 -29.438   4.410
   18    H    TYR   3           H        TYR   3   0.421 -26.287   5.531
   19    HA   TYR   3           HA       TYR   3  -0.619 -23.657   6.280
   20   1HB   TYR   3          1HB       TYR   3   1.537 -22.829   5.962
   21   2HB   TYR   3          2HB       TYR   3   1.572 -24.080   7.012
   22    HD1  TYR   3           HD1      TYR   3   2.784 -26.153   6.459
   23    HD2  TYR   3           HD2      TYR   3   2.766 -22.922   3.852
   24    HE1  TYR   3           HE1      TYR   3   4.562 -27.149   5.208
   25    HE2  TYR   3           HE2      TYR   3   4.541 -23.925   2.604
   26    HH   TYR   3           HH       TYR   3   5.950 -25.589   2.316
   27    H    GLU   4           H        GLU   4  -1.862 -22.500   4.986
   28    HA   GLU   4           HA       GLU   4  -1.826 -22.975   2.137
   29   1HB   GLU   4          1HB       GLU   4  -3.754 -21.616   2.072
   30   2HB   GLU   4          2HB       GLU   4  -3.922 -22.879   3.094
   31   1HG   GLU   4          1HG       GLU   4  -3.343 -20.282   4.144
   32   2HG   GLU   4          2HG       GLU   4  -4.880 -20.675   3.756
   33    H    ASN   5           H        ASN   5   0.037 -22.323   1.208
   34    HA   ASN   5           HA       ASN   5   1.035 -19.712   1.648
   35   1HB   ASN   5          1HB       ASN   5   2.738 -20.294   0.084
   36   2HB   ASN   5          2HB       ASN   5   2.524 -21.501   1.163
   37   1HD2  ASN   5          1HD2      ASN   5   2.193 -23.613   0.449
   38   2HD2  ASN   5          2HD2      ASN   5   1.980 -23.982  -1.229
   39    H    LYS   6           H        LYS   6  -0.826 -20.755  -1.124
   40    HA   LYS   6           HA       LYS   6  -0.886 -18.004  -2.071
   41   1HB   LYS   6          1HB       LYS   6  -1.715 -18.825  -4.084
   42   2HB   LYS   6          2HB       LYS   6  -0.366 -19.653  -3.683
   43   1HG   LYS   6          1HG       LYS   6  -1.671 -21.540  -3.109
   44   2HG   LYS   6          2HG       LYS   6  -3.038 -20.713  -3.449
   45   1HD   LYS   6          1HD       LYS   6  -2.421 -20.603  -5.742
   46   2HD   LYS   6          2HD       LYS   6  -1.024 -21.384  -5.414
   47   1HE   LYS   6          1HE       LYS   6  -2.230 -23.353  -4.862
   48   2HE   LYS   6          2HE       LYS   6  -3.644 -22.575  -5.115
   49   1HZ   LYS   6          1HZ       LYS   6  -3.083 -23.880  -6.988
   50   2HZ   LYS   6          2HZ       LYS   6  -1.671 -23.072  -7.128
   51   3HZ   LYS   6          3HZ       LYS   6  -3.085 -22.295  -7.381
   52    HA   PRO   7           HA       PRO   7  -4.764 -17.209  -0.159
   53   1HB   PRO   7          1HB       PRO   7  -5.414 -14.858  -1.225
   54   2HB   PRO   7          2HB       PRO   7  -4.138 -14.941  -0.209
   55   1HG   PRO   7          1HG       PRO   7  -4.065 -14.930  -3.102
   56   2HG   PRO   7          2HG       PRO   7  -3.128 -14.056  -2.089
   57   1HD   PRO   7          1HD       PRO   7  -2.213 -16.279  -3.120
   58   2HD   PRO   7          2HD       PRO   7  -1.778 -15.844  -1.607
   59    H    ARG   8           H        ARG   8  -6.872 -17.462  -0.040
   60    HA   ARG   8           HA       ARG   8  -8.015 -18.760  -2.354
   61   1HB   ARG   8          1HB       ARG   8  -8.915 -18.572   0.394
   62   2HB   ARG   8          2HB       ARG   8  -9.782 -19.349  -0.751
   63   1HG   ARG   8          1HG       ARG   8  -8.084 -20.979  -0.967
   64   2HG   ARG   8          2HG       ARG   8  -7.159 -20.183   0.119
   65   1HD   ARG   8          1HD       ARG   8  -8.043 -21.986   1.254
   66   2HD   ARG   8          2HD       ARG   8  -8.871 -20.684   1.790
   67    HE   ARG   8           HE       ARG   8 -10.349 -21.653  -0.307
   68   1HH1  ARG   8          1HH1      ARG   8  -9.461 -22.864   2.904
   69   2HH1  ARG   8          2HH1      ARG   8 -10.852 -23.894   2.973
   70   1HH2  ARG   8          1HH2      ARG   8 -12.056 -23.002  -0.123
   71   2HH2  ARG   8          2HH2      ARG   8 -12.288 -23.969   1.295
   72    H    ARG   9           H        ARG   9  -9.269 -17.844  -3.885
   73    HA   ARG   9           HA       ARG   9 -10.490 -15.290  -3.438
   74   1HB   ARG   9          1HB       ARG   9 -10.528 -17.061  -5.728
   75   2HB   ARG   9          2HB       ARG   9 -11.322 -15.634  -5.732
   76   1HG   ARG   9          1HG       ARG   9  -9.253 -14.473  -5.564
   77   2HG   ARG   9          2HG       ARG   9  -8.451 -15.895  -5.534
   78   1HD   ARG   9          1HD       ARG   9  -9.159 -16.342  -7.773
   79   2HD   ARG   9          2HD       ARG   9  -9.960 -14.919  -7.804
   80    HE   ARG   9           HE       ARG   9  -7.402 -14.232  -7.131
   81   1HH1  ARG   9          1HH1      ARG   9  -8.887 -15.703  -9.994
   82   2HH1  ARG   9          2HH1      ARG   9  -7.604 -15.156 -11.021
   83   1HH2  ARG   9          1HH2      ARG   9  -5.827 -13.616  -8.514
   84   2HH2  ARG   9          2HH2      ARG   9  -5.911 -14.001 -10.200
   85    HA   PRO  10           HA       PRO  10 -14.361 -16.924  -1.825
   86   1HB   PRO  10          1HB       PRO  10 -15.350 -14.236  -2.479
   87   2HB   PRO  10          2HB       PRO  10 -15.579 -15.013  -1.061
   88   1HG   PRO  10          1HG       PRO  10 -13.826 -13.137  -1.139
   89   2HG   PRO  10          2HG       PRO  10 -13.461 -14.492  -0.304
   90   1HD   PRO  10          1HD       PRO  10 -12.527 -13.744  -2.922
   91   2HD   PRO  10          2HD       PRO  10 -11.689 -14.514  -1.751
   92    H    TYR  11           H        TYR  11 -14.707 -15.409  -4.919
   93    HA   TYR  11           HA       TYR  11 -16.836 -17.263  -5.567
   94   1HB   TYR  11          1HB       TYR  11 -17.037 -16.143  -7.588
   95   2HB   TYR  11          2HB       TYR  11 -17.043 -15.062  -6.363
   96    HD1  TYR  11           HD1      TYR  11 -15.248 -13.392  -6.150
   97    HD2  TYR  11           HD2      TYR  11 -15.302 -16.083  -9.309
   98    HE1  TYR  11           HE1      TYR  11 -13.568 -12.113  -7.272
   99    HE2  TYR  11           HE2      TYR  11 -13.611 -14.809 -10.419
  100    HH   TYR  11           HH       TYR  11 -12.266 -13.066 -10.452
  101    H    ILE  12           H        ILE  12 -16.572 -19.333  -6.092
  102    HA   ILE  12           HA       ILE  12 -14.194 -20.127  -7.662
  103    HB   ILE  12           HB       ILE  12 -15.754 -21.758  -5.993
  104   1HG1  ILE  12          1HG1      ILE  12 -13.456 -22.198  -4.943
  105   2HG1  ILE  12          2HG1      ILE  12 -13.139 -20.707  -5.532
  106   1HG2  ILE  12          1HG2      ILE  12 -14.145 -23.554  -6.561
  107   2HG2  ILE  12          2HG2      ILE  12 -13.437 -22.532  -7.620
  108   3HG2  ILE  12          3HG2      ILE  12 -14.962 -23.053  -7.883
  109   1HD1  ILE  12          1HD1      ILE  12 -13.759 -20.567  -3.247
  110   2HD1  ILE  12          2HD1      ILE  12 -15.185 -21.290  -3.578
  111   3HD1  ILE  12          3HD1      ILE  12 -14.868 -19.800  -4.167
  112    H    LEU  13           H        LEU  13 -14.811 -19.650  -9.791
  113    HA   LEU  13           HA       LEU  13 -17.204 -20.954 -10.836
  114   1HB   LEU  13          1HB       LEU  13 -16.583 -18.177 -11.271
  115   2HB   LEU  13          2HB       LEU  13 -17.681 -18.991 -12.165
  116    HG   LEU  13           HG       LEU  13 -17.999 -18.549  -9.352
  117   1HD1  LEU  13          1HD1      LEU  13 -19.547 -16.775  -9.904
  118   2HD1  LEU  13          2HD1      LEU  13 -19.174 -16.962 -11.482
  119   3HD1  LEU  13          3HD1      LEU  13 -18.044 -16.419 -10.435
  120   1HD2  LEU  13          1HD2      LEU  13 -20.305 -19.096  -9.687
  121   2HD2  LEU  13          2HD2      LEU  13 -19.338 -20.343 -10.108
  122   3HD2  LEU  13          3HD2      LEU  13 -19.994 -19.392 -11.262
  123    HXT  LEU  13           HXT      LEU  13 -15.208 -21.819 -13.535