*HEADER    NEUROPEPTIDE                            23-FEB-07   2OYV              
*TITLE     NEUROTENSIN IN DPC MICELLES                                           
*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    TYPE I TURN                                                           
*EXPDTA    NMR, 14 STRUCTURES                                                    
*AUTHOR    J.P.MONTI, J.COUTANT, P.A.CURMI                                       
*REVDAT   1   08-MAY-07 2OYV    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  4.300  3.300 30.00 30.00 1000.000  0.00
1:PGLU_1:HA        1:PGLU_1:HG*       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:PGLU_1:HB*       1:PGLU_1:HG*       -1.000  4.700  2.700 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:HG         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HA         1:LEU_2:HN         -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LEU_2:HB*        1:LEU_2:HD*        -1.000  8.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HB*        1:LEU_2:HN         -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:LEU_2:HG         1:LEU_2:HD*        -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_2:HG         1:LEU_2:HN         -1.000  5.000  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  3.700  2.700 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:HA         1:TYR_3:HD*        -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HA         1:TYR_3:HE*        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:TYR_3:HD*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:TYR_3:HE*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:TYR_3:HN         -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HE*        -1.000  5.700  2.700 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  4.300  3.300 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  7.000  5.000 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  7.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:ASN_5:HB*        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:ASN_5:HD2*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:ASN_5:HN         -1.000  6.000  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  8.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HB*       -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HG*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HD*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HA        1:LYS+_6:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HB*       1:LYS+_6:HG*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HB*       1:LYS+_6:HE*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HB*       1:LYS+_6:HN        -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_6:HG*       1:LYS+_6:HD*       -1.000  7.000  5.000 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:LYS+_6:HD*       1:LYS+_6:HE*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_6:HD*       1:LYS+_6:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_6:HE*       1:LYS+_6:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_7:HA         1:PRO_7:HB*        -1.000  3.700  2.700 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:HA         1:PRO_7:HD*        -1.000  7.000  6.000 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:HB*        1:PRO_7:HG*        -1.000  4.700  2.700 30.00 30.00 1000.000  0.00
1:PRO_7:HG*        1:PRO_7:HD*        -1.000  4.700  2.700 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HB*       -1.000  3.700  2.700 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HG*       -1.000  4.300  3.300 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  4.700  2.700 30.00 30.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HD*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HN        -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_8:HG*       1:ARG+_8:HD*       -1.000  7.000  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: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  4.300  3.300 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  6.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HB*       1:ARG+_9:HD*       -1.000  5.300  3.300 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:HB*       1:ARG+_9:HG*       -1.000  5.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       1:ARG+_9:HD*       -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       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:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:PRO_10:HB*       -1.000  3.700  2.700 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:PRO_10:HG*       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:PRO_10:HD*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:PRO_10:HG*       -1.000  4.700  2.700 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  4.700  2.700 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:TYR_11:HB*       -1.000  3.700  2.700 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:TYR_11:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:TYR_11:HD*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HA        1:TYR_11:HE*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:TYR_11:HD*       -1.000  8.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:TYR_11:HE*       -1.000  8.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:TYR_11:HN        -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:TYR_11:HE*       -1.000  5.700  2.700 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  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HG2*      -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HD1*      -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:ILE_12:HN        -1.000  3.300  3.300 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:HG1*      -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:ILE_12:HB        1:ILE_12:HG2*      -1.000  4.300  3.300 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:HG2*      -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HG1*      1:ILE_12:HD1*      -1.000  8.000  6.000 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:HG2*      1:ILE_12:HD1*      -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HD1*      1:ILE_12:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LEUC_13:HA       1:LEUC_13:HB*      -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:LEUC_13:HA       1:LEUC_13:HN       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LEUC_13:HA       1:LEUC_13:HD*      -1.000  7.000  5.000 30.00 30.00 1000.000  0.00
1:LEUC_13:HG       1:LEUC_13:HD*      -1.000  7.000  5.000 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:LEUC_13:HD*      1:LEUC_13:HN       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HA        1:LEU_2:HN         -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:PGLU_1:HB*       1:LEU_2:HN         -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HG*       1:LEU_2:HN         -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HA        1:TYR_3:HN         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HB*       1:TYR_3:HD*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HB*       1:TYR_3:HE*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HB*       1:TYR_3:HN         -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HG*       1:TYR_3:HD*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:PGLU_1:HG*       1:TYR_3:HE*        -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HA         1:TYR_3:HB*        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HA         1:TYR_3:HN         -1.000  2.700  2.700 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  6.000  5.000 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:HN         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HD*        1:TYR_3:HD*        -1.000 10.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HD*        1:TYR_3:HN         -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_2:HN         1:TYR_3:HA         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HA         1:GLU-_4:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:TYR_3:HB*        1:GLU-_4:HG*       -1.000  7.000  5.000 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:HB*       -1.000  9.000  6.000 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: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:GLU-_4:HB*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HE*        1:GLU-_4:HG*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HE*        1:GLU-_4:HN        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HE*        1:ASN_5:HA         -1.000  8.000  6.000 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:TYR_3:HN         1:GLU-_4:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_3:HN         1:GLU-_4:HB*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_3:HN         1:GLU-_4:HG*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HA        1:ASN_5:HN         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_4:HA        1:ASN_5:HB*        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ASN_5:HA         1:LYS+_6:HN        -1.000  3.300  3.300 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: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: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  7.000  5.000 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:HD*       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:HA         1:ARG+_8:HN        -1.000  2.700  2.700 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:HB*        1:ARG+_9:HN        -1.000  7.000  6.000 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:PRO_7:HG*        1:ARG+_9:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_7:HD*        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  2.700  2.700 30.00 30.00 1000.000  0.00
1:ARG+_8:HA        1:PRO_10:HD*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_8:HN        1:ARG+_9:HN        -1.000  6.000  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:HG*       1:TYR_11:HD*       -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HD*       1:TYR_11:HD*       -1.000  9.000  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  9.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_9:HG*       1:TYR_11:HN        -1.000  8.000  6.000 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:HB*       -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:TYR_11:HD*       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:TYR_11:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:ILE_12:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HA        1:LEUC_13:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:TYR_11:HB*       -1.000  8.000  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:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:ILE_12:HN        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:PRO_10:HB*       1:LEUC_13:HN       -1.000  7.000  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:HN        -1.000  7.000  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:LEUC_13:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:ILE_12:HA        -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:ILE_12:HG1*      -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:ILE_12:HN        -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_11:HB*       1:LEUC_13:HN       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:ILE_12:HA        -1.000  8.000  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:HD*       1:ILE_12:HD1*      -1.000  9.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:ILE_12:HN        -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:LEUC_13:HA       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HD*       1:LEUC_13:HN       -1.000  8.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HN        1:ILE_12:HA        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HN        1:ILE_12:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_11:HN        1:LEUC_13:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:LEUC_13:HB*      -1.000  6.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_12:HA        1:LEUC_13:HN       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ILE_12:HB        1:LEUC_13:HN       -1.000  6.000  6.000 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:HD1*      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:HA       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HN        1:LEUC_13:HB*      -1.000  7.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_12:HN        1:LEUC_13:HN       -1.000  5.000  5.000 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
1:PRO_10:C         1:TYR_11:N         1:TYR_11:CA        1:TYR_11:C         -80.000 -40.000 100.00 100.00 1000.000
1:TYR_11:C         1:ILE_12:N         1:ILE_12:CA        1:ILE_12:C        -110.000 -70.000 100.00 100.00 1000.000
1:TYR_11:N         1:TYR_11:CA        1:TYR_11:C         1:ILE_12:N         -50.000 -10.000 100.00 100.00 1000.000
1:ILE_12:N         1:ILE_12:CA        1:ILE_12:C         1:LEUC_13:N        -20.000  20.000 100.00 100.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           HN       PCA   1 -23.851  -8.813  14.525
    2    HA   PCA   1           HA       PCA   1 -21.418  -8.205  14.451
    3   1HB   PCA   1          1HB       PCA   1 -20.188 -10.585  14.525
    4   2HB   PCA   1          2HB       PCA   1 -20.507  -9.762  15.899
    5   1HG   PCA   1          1HG       PCA   1 -21.872 -12.060  14.892
    6   2HG   PCA   1          2HG       PCA   1 -21.772 -11.562  16.445
    7    H    LEU   2           H        LEU   2 -20.267  -7.840  12.551
    8    HA   LEU   2           HA       LEU   2 -21.381  -8.743  10.137
    9   1HB   LEU   2          1HB       LEU   2 -22.158  -6.445  10.500
   10   2HB   LEU   2          2HB       LEU   2 -20.588  -5.994  10.523
   11    HG   LEU   2           HG       LEU   2 -20.466  -6.875   8.234
   12   1HD1  LEU   2          1HD1      LEU   2 -22.497  -6.916   6.963
   13   2HD1  LEU   2          2HD1      LEU   2 -23.349  -6.680   8.335
   14   3HD1  LEU   2          3HD1      LEU   2 -22.510  -8.065   8.123
   15   1HD2  LEU   2          1HD2      LEU   2 -21.302  -4.805   7.282
   16   2HD2  LEU   2          2HD2      LEU   2 -20.447  -4.510   8.641
   17   3HD2  LEU   2          3HD2      LEU   2 -22.079  -4.494   8.684
   18    H    TYR   3           H        TYR   3 -19.877 -10.090   9.358
   19    HA   TYR   3           HA       TYR   3 -17.089  -9.233   9.395
   20   1HB   TYR   3          1HB       TYR   3 -16.275 -11.293  10.056
   21   2HB   TYR   3          2HB       TYR   3 -17.275 -10.709  11.208
   22    HD1  TYR   3           HD1      TYR   3 -16.826 -13.366   8.842
   23    HD2  TYR   3           HD2      TYR   3 -19.320 -11.901  11.821
   24    HE1  TYR   3           HE1      TYR   3 -17.999 -15.451   8.891
   25    HE2  TYR   3           HE2      TYR   3 -20.492 -13.985  11.859
   26    HH   TYR   3           HH       TYR   3 -20.753 -16.026  11.083
   27    H    GLU   4           H        GLU   4 -15.905  -9.462   7.518
   28    HA   GLU   4           HA       GLU   4 -17.304 -10.511   5.213
   29   1HB   GLU   4          1HB       GLU   4 -15.677  -9.536   3.910
   30   2HB   GLU   4          2HB       GLU   4 -16.257  -8.448   4.981
   31   1HG   GLU   4          1HG       GLU   4 -14.248  -8.554   6.210
   32   2HG   GLU   4          2HG       GLU   4 -13.669  -9.696   5.196
   33    H    ASN   5           H        ASN   5 -17.584 -12.633   5.086
   34    HA   ASN   5           HA       ASN   5 -15.329 -14.397   5.520
   35   1HB   ASN   5          1HB       ASN   5 -16.873 -16.145   5.461
   36   2HB   ASN   5          2HB       ASN   5 -17.361 -14.999   6.517
   37   1HD2  ASN   5          1HD2      ASN   5 -19.214 -16.779   6.093
   38   2HD2  ASN   5          2HD2      ASN   5 -20.419 -16.195   4.995
   39    H    LYS   6           H        LYS   6 -13.948 -15.269   4.155
   40    HA   LYS   6           HA       LYS   6 -14.693 -15.523   1.336
   41   1HB   LYS   6          1HB       LYS   6 -12.306 -14.200   2.243
   42   2HB   LYS   6          2HB       LYS   6 -12.466 -14.762   0.718
   43   1HG   LYS   6          1HG       LYS   6 -14.207 -13.214   0.310
   44   2HG   LYS   6          2HG       LYS   6 -14.105 -12.675   1.848
   45   1HD   LYS   6          1HD       LYS   6 -13.011 -11.064   0.704
   46   2HD   LYS   6          2HD       LYS   6 -11.784 -11.997   1.246
   47   1HE   LYS   6          1HE       LYS   6 -11.577 -12.996  -0.901
   48   2HE   LYS   6          2HE       LYS   6 -12.831 -12.104  -1.448
   49   1HZ   LYS   6          1HZ       LYS   6 -10.790 -11.115  -2.077
   50   2HZ   LYS   6          2HZ       LYS   6 -10.349 -11.027  -0.507
   51   3HZ   LYS   6          3HZ       LYS   6 -11.602 -10.136  -1.054
   52    HA   PRO   7           HA       PRO   7 -12.860 -19.528   2.604
   53   1HB   PRO   7          1HB       PRO   7 -13.661 -20.463  -0.017
   54   2HB   PRO   7          2HB       PRO   7 -14.036 -21.156   1.414
   55   1HG   PRO   7          1HG       PRO   7 -15.883 -19.889   0.131
   56   2HG   PRO   7          2HG       PRO   7 -15.824 -19.750   1.757
   57   1HD   PRO   7          1HD       PRO   7 -14.867 -17.846  -0.196
   58   2HD   PRO   7          2HD       PRO   7 -15.677 -17.523   1.185
   59    H    ARG   8           H        ARG   8 -10.911 -20.332   2.749
   60    HA   ARG   8           HA       ARG   8  -8.977 -19.593   0.702
   61   1HB   ARG   8          1HB       ARG   8  -8.621 -20.719   3.325
   62   2HB   ARG   8          2HB       ARG   8  -7.377 -20.514   2.286
   63   1HG   ARG   8          1HG       ARG   8  -7.674 -18.162   2.378
   64   2HG   ARG   8          2HG       ARG   8  -8.939 -18.354   3.392
   65   1HD   ARG   8          1HD       ARG   8  -7.234 -17.719   4.769
   66   2HD   ARG   8          2HD       ARG   8  -7.310 -19.337   4.978
   67    HE   ARG   8           HE       ARG   8  -5.478 -18.928   2.961
   68   1HH1  ARG   8          1HH1      ARG   8  -5.620 -18.249   6.441
   69   2HH1  ARG   8          2HH1      ARG   8  -3.894 -18.243   6.577
   70   1HH2  ARG   8          1HH2      ARG   8  -3.307 -18.876   3.252
   71   2HH2  ARG   8          2HH2      ARG   8  -2.618 -18.589   4.815
   72    H    ARG   9           H        ARG   9  -9.332 -20.820  -1.162
   73    HA   ARG   9           HA       ARG   9  -9.473 -23.710  -0.960
   74   1HB   ARG   9          1HB       ARG   9  -9.982 -23.732  -3.201
   75   2HB   ARG   9          2HB       ARG   9 -10.902 -22.593  -2.478
   76   1HG   ARG   9          1HG       ARG   9  -9.607 -20.888  -3.468
   77   2HG   ARG   9          2HG       ARG   9  -8.631 -22.006  -4.150
   78   1HD   ARG   9          1HD       ARG   9  -9.963 -21.356  -5.877
   79   2HD   ARG   9          2HD       ARG   9 -10.651 -22.754  -5.389
   80    HE   ARG   9           HE       ARG   9 -11.886 -20.665  -4.018
   81   1HH1  ARG   9          1HH1      ARG   9 -11.905 -22.064  -7.281
   82   2HH1  ARG   9          2HH1      ARG   9 -13.470 -21.406  -7.624
   83   1HH2  ARG   9          1HH2      ARG   9 -13.844 -19.858  -4.582
   84   2HH2  ARG   9          2HH2      ARG   9 -14.538 -20.189  -6.134
   85    HA   PRO  10           HA       PRO  10  -4.985 -24.053  -1.441
   86   1HB   PRO  10          1HB       PRO  10  -4.667 -26.583  -0.784
   87   2HB   PRO  10          2HB       PRO  10  -4.993 -25.497   0.392
   88   1HG   PRO  10          1HG       PRO  10  -6.831 -27.331  -0.857
   89   2HG   PRO  10          2HG       PRO  10  -6.735 -26.945   0.727
   90   1HD   PRO  10          1HD       PRO  10  -8.537 -25.836  -0.867
   91   2HD   PRO  10          2HD       PRO  10  -7.980 -25.067   0.462
   92    H    TYR  11           H        TYR  11  -3.766 -24.013  -3.157
   93    HA   TYR  11           HA       TYR  11  -4.852 -25.155  -5.549
   94   1HB   TYR  11          1HB       TYR  11  -3.729 -22.945  -5.368
   95   2HB   TYR  11          2HB       TYR  11  -2.316 -23.760  -5.289
   96    HD1  TYR  11           HD1      TYR  11  -1.331 -24.771  -7.303
   97    HD2  TYR  11           HD2      TYR  11  -4.944 -22.737  -7.510
   98    HE1  TYR  11           HE1      TYR  11  -1.220 -24.810  -9.691
   99    HE2  TYR  11           HE2      TYR  11  -4.815 -22.760  -9.898
  100    HH   TYR  11           HH       TYR  11  -3.749 -23.341 -11.731
  101    H    ILE  12           H        ILE  12  -2.032 -26.206  -3.720
  102    HA   ILE  12           HA       ILE  12  -1.482 -28.173  -5.642
  103    HB   ILE  12           HB       ILE  12   0.128 -29.081  -4.097
  104   1HG1  ILE  12          1HG1      ILE  12  -0.193 -26.953  -2.230
  105   2HG1  ILE  12          2HG1      ILE  12  -1.040 -28.338  -2.054
  106   1HG2  ILE  12          1HG2      ILE  12   1.704 -27.235  -4.171
  107   2HG2  ILE  12          2HG2      ILE  12   0.478 -26.248  -4.603
  108   3HG2  ILE  12          3HG2      ILE  12   0.945 -27.454  -5.599
  109   1HD1  ILE  12          1HD1      ILE  12   0.912 -28.397  -0.696
  110   2HD1  ILE  12          2HD1      ILE  12   1.847 -28.174  -2.016
  111   3HD1  ILE  12          3HD1      ILE  12   0.999 -29.559  -1.839
  112    H    LEU  13           H        LEU  13  -3.860 -28.444  -3.273
  113    HA   LEU  13           HA       LEU  13  -4.349 -31.205  -4.086
  114   1HB   LEU  13          1HB       LEU  13  -3.143 -31.282  -1.987
  115   2HB   LEU  13          2HB       LEU  13  -4.400 -30.497  -1.300
  116    HG   LEU  13           HG       LEU  13  -5.766 -32.422  -2.003
  117   1HD1  LEU  13          1HD1      LEU  13  -4.638 -34.520  -2.258
  118   2HD1  LEU  13          2HD1      LEU  13  -3.204 -33.739  -2.238
  119   3HD1  LEU  13          3HD1      LEU  13  -4.249 -33.495  -3.468
  120   1HD2  LEU  13          1HD2      LEU  13  -5.203 -33.685  -0.023
  121   2HD2  LEU  13          2HD2      LEU  13  -5.237 -32.085   0.301
  122   3HD2  LEU  13          3HD2      LEU  13  -3.808 -32.846   0.097
  123    HXT  LEU  13           HXT      LEU  13  -7.598 -30.102  -4.359
  Start of MODEL    2
    1    HN   PCA   1           HN       PCA   1 -13.611   1.748   7.150
    2    HA   PCA   1           HA       PCA   1 -12.085   0.785   5.432
    3   1HB   PCA   1          1HB       PCA   1 -11.019  -1.357   6.652
    4   2HB   PCA   1          2HB       PCA   1 -10.305   0.106   6.785
    5   1HG   PCA   1          1HG       PCA   1 -11.883  -1.248   8.753
    6   2HG   PCA   1          2HG       PCA   1 -10.692  -0.161   9.008
    7    H    LEU   2           H        LEU   2 -12.203  -1.224   4.106
    8    HA   LEU   2           HA       LEU   2 -14.852  -2.155   3.887
    9   1HB   LEU   2          1HB       LEU   2 -14.455  -0.521   2.105
   10   2HB   LEU   2          2HB       LEU   2 -13.241  -1.485   1.588
   11    HG   LEU   2           HG       LEU   2 -14.964  -3.212   1.282
   12   1HD1  LEU   2          1HD1      LEU   2 -17.205  -2.465   0.884
   13   2HD1  LEU   2          2HD1      LEU   2 -16.785  -0.969   1.387
   14   3HD1  LEU   2          3HD1      LEU   2 -16.774  -2.218   2.439
   15   1HD2  LEU   2          1HD2      LEU   2 -15.552  -2.378  -0.918
   16   2HD2  LEU   2          2HD2      LEU   2 -13.970  -2.119  -0.608
   17   3HD2  LEU   2          3HD2      LEU   2 -15.040  -0.892  -0.473
   18    H    TYR   3           H        TYR   3 -14.647  -4.153   4.772
   19    HA   TYR   3           HA       TYR   3 -12.231  -5.723   4.239
   20   1HB   TYR   3          1HB       TYR   3 -13.180  -5.444   6.498
   21   2HB   TYR   3          2HB       TYR   3 -14.411  -6.397   6.004
   22    HD1  TYR   3           HD1      TYR   3 -14.086  -8.833   5.728
   23    HD2  TYR   3           HD2      TYR   3 -10.970  -6.396   6.990
   24    HE1  TYR   3           HE1      TYR   3 -12.835 -10.762   6.378
   25    HE2  TYR   3           HE2      TYR   3  -9.729  -8.331   7.648
   26    HH   TYR   3           HH       TYR   3  -9.593 -10.532   7.828
   27    H    GLU   4           H        GLU   4 -12.064  -6.898   2.406
   28    HA   GLU   4           HA       GLU   4 -14.462  -7.911   1.175
   29   1HB   GLU   4          1HB       GLU   4 -13.157  -8.468  -0.675
   30   2HB   GLU   4          2HB       GLU   4 -12.905  -6.912  -0.246
   31   1HG   GLU   4          1HG       GLU   4 -10.773  -7.464   0.593
   32   2HG   GLU   4          2HG       GLU   4 -11.026  -9.040   0.248
   33    H    ASN   5           H        ASN   5 -15.431  -9.814   1.267
   34    HA   ASN   5           HA       ASN   5 -14.128 -12.012   2.692
   35   1HB   ASN   5          1HB       ASN   5 -16.394 -11.205   3.222
   36   2HB   ASN   5          2HB       ASN   5 -16.867 -11.835   1.791
   37   1HD2  ASN   5          1HD2      ASN   5 -16.012 -12.575   5.052
   38   2HD2  ASN   5          2HD2      ASN   5 -16.450 -14.249   4.985
   39    H    LYS   6           H        LYS   6 -12.902 -13.473   1.723
   40    HA   LYS   6           HA       LYS   6 -13.739 -14.533  -0.868
   41   1HB   LYS   6          1HB       LYS   6 -11.073 -13.598  -0.286
   42   2HB   LYS   6          2HB       LYS   6 -11.389 -14.596  -1.540
   43   1HG   LYS   6          1HG       LYS   6 -12.667 -12.913  -2.589
   44   2HG   LYS   6          2HG       LYS   6 -12.434 -11.918  -1.315
   45   1HD   LYS   6          1HD       LYS   6 -10.976 -11.111  -2.833
   46   2HD   LYS   6          2HD       LYS   6 -10.024 -12.052  -1.897
   47   1HE   LYS   6          1HE       LYS   6 -10.027 -13.743  -3.561
   48   2HE   LYS   6          2HE       LYS   6 -11.031 -12.849  -4.488
   49   1HZ   LYS   6          1HZ       LYS   6  -8.802 -12.582  -5.207
   50   2HZ   LYS   6          2HZ       LYS   6  -8.385 -12.061  -3.717
   51   3HZ   LYS   6          3HZ       LYS   6  -9.389 -11.167  -4.644
   52    HA   PRO   7           HA       PRO   7 -12.850 -18.235   1.668
   53   1HB   PRO   7          1HB       PRO   7 -13.689 -20.150   0.033
   54   2HB   PRO   7          2HB       PRO   7 -14.789 -19.215   0.796
   55   1HG   PRO   7          1HG       PRO   7 -13.855 -18.949  -1.925
   56   2HG   PRO   7          2HG       PRO   7 -15.396 -18.844  -1.393
   57   1HD   PRO   7          1HD       PRO   7 -13.991 -16.670  -1.854
   58   2HD   PRO   7          2HD       PRO   7 -15.128 -16.689  -0.682
   59    H    ARG   8           H        ARG   8 -11.285 -19.537   2.261
   60    HA   ARG   8           HA       ARG   8  -8.952 -19.567   0.565
   61   1HB   ARG   8          1HB       ARG   8  -9.352 -20.440   3.292
   62   2HB   ARG   8          2HB       ARG   8  -7.924 -20.644   2.525
   63   1HG   ARG   8          1HG       ARG   8  -7.647 -18.281   2.411
   64   2HG   ARG   8          2HG       ARG   8  -9.075 -18.076   3.176
   65   1HD   ARG   8          1HD       ARG   8  -8.160 -19.136   5.129
   66   2HD   ARG   8          2HD       ARG   8  -6.725 -19.280   4.363
   67    HE   ARG   8           HE       ARG   8  -7.903 -16.781   5.278
   68   1HH1  ARG   8          1HH1      ARG   8  -4.976 -18.369   4.048
   69   2HH1  ARG   8          2HH1      ARG   8  -4.004 -16.979   4.399
   70   1HH2  ARG   8          1HH2      ARG   8  -6.581 -15.098   5.670
   71   2HH2  ARG   8          2HH2      ARG   8  -4.892 -15.173   5.294
   72    H    ARG   9           H        ARG   9  -8.448 -21.096  -0.926
   73    HA   ARG   9           HA       ARG   9  -9.082 -23.896  -0.356
   74   1HB   ARG   9          1HB       ARG   9  -9.822 -24.353  -2.481
   75   2HB   ARG   9          2HB       ARG   9 -10.770 -23.207  -1.808
   76   1HG   ARG   9          1HG       ARG   9  -9.784 -21.564  -3.198
   77   2HG   ARG   9          2HG       ARG   9  -8.816 -22.700  -3.861
   78   1HD   ARG   9          1HD       ARG   9 -11.672 -22.850  -4.138
   79   2HD   ARG   9          2HD       ARG   9 -10.764 -22.011  -5.206
   80    HE   ARG   9           HE       ARG   9  -9.760 -24.627  -4.995
   81   1HH1  ARG   9          1HH1      ARG   9 -12.467 -22.902  -6.517
   82   2HH1  ARG   9          2HH1      ARG   9 -12.638 -24.112  -7.745
   83   1HH2  ARG   9          1HH2      ARG   9 -10.067 -26.088  -6.611
   84   2HH2  ARG   9          2HH2      ARG   9 -11.312 -25.868  -7.795
   85    HA   PRO  10           HA       PRO  10  -4.647 -23.989  -1.388
   86   1HB   PRO  10          1HB       PRO  10  -4.767 -26.790  -0.722
   87   2HB   PRO  10          2HB       PRO  10  -3.760 -25.680  -0.075
   88   1HG   PRO  10          1HG       PRO  10  -5.699 -26.578   1.370
   89   2HG   PRO  10          2HG       PRO  10  -5.323 -24.992   1.468
   90   1HD   PRO  10          1HD       PRO  10  -7.485 -26.180  -0.048
   91   2HD   PRO  10          2HD       PRO  10  -7.554 -24.837   0.879
   92    H    TYR  11           H        TYR  11  -3.676 -23.923  -3.273
   93    HA   TYR  11           HA       TYR  11  -4.983 -25.244  -5.440
   94   1HB   TYR  11          1HB       TYR  11  -3.908 -22.955  -5.428
   95   2HB   TYR  11          2HB       TYR  11  -2.496 -23.748  -5.643
   96    HD1  TYR  11           HD1      TYR  11  -5.544 -22.775  -7.270
   97    HD2  TYR  11           HD2      TYR  11  -1.909 -24.700  -7.835
   98    HE1  TYR  11           HE1      TYR  11  -5.914 -22.790  -9.631
   99    HE2  TYR  11           HE2      TYR  11  -2.299 -24.735 -10.194
  100    HH   TYR  11           HH       TYR  11  -3.599 -24.227 -11.916
  101    H    ILE  12           H        ILE  12  -2.240 -26.381  -3.712
  102    HA   ILE  12           HA       ILE  12  -1.508 -28.200  -5.802
  103    HB   ILE  12           HB       ILE  12   0.005 -27.174  -4.145
  104   1HG1  ILE  12          1HG1      ILE  12   0.579 -29.984  -4.401
  105   2HG1  ILE  12          2HG1      ILE  12   0.651 -28.993  -5.697
  106   1HG2  ILE  12          1HG2      ILE  12   0.483 -28.349  -2.112
  107   2HG2  ILE  12          2HG2      ILE  12  -0.819 -29.297  -2.381
  108   3HG2  ILE  12          3HG2      ILE  12  -1.015 -27.699  -2.111
  109   1HD1  ILE  12          1HD1      ILE  12   2.829 -29.369  -4.836
  110   2HD1  ILE  12          2HD1      ILE  12   2.367 -28.782  -3.384
  111   3HD1  ILE  12          3HD1      ILE  12   2.439 -27.791  -4.680
  112    H    LEU  13           H        LEU  13  -4.086 -28.651  -3.753
  113    HA   LEU  13           HA       LEU  13  -4.371 -31.353  -4.838
  114   1HB   LEU  13          1HB       LEU  13  -3.536 -31.517  -2.566
  115   2HB   LEU  13          2HB       LEU  13  -4.922 -30.811  -2.068
  116    HG   LEU  13           HG       LEU  13  -6.065 -32.738  -3.084
  117   1HD1  LEU  13          1HD1      LEU  13  -4.833 -34.792  -3.215
  118   2HD1  LEU  13          2HD1      LEU  13  -3.454 -33.970  -2.916
  119   3HD1  LEU  13          3HD1      LEU  13  -4.280 -33.704  -4.300
  120   1HD2  LEU  13          1HD2      LEU  13  -5.793 -34.082  -1.085
  121   2HD2  LEU  13          2HD2      LEU  13  -5.948 -32.502  -0.704
  122   3HD2  LEU  13          3HD2      LEU  13  -4.473 -33.203  -0.695
  123    HXT  LEU  13           HXT      LEU  13  -7.552 -30.368  -5.628
  Start of MODEL    3
    1    HN   PCA   1           HN       PCA   1 -17.005   2.744   3.469
    2    HA   PCA   1           HA       PCA   1 -14.781   1.617   3.463
    3   1HB   PCA   1          1HB       PCA   1 -14.391   1.420   5.754
    4   2HB   PCA   1          2HB       PCA   1 -14.936  -0.102   5.522
    5   1HG   PCA   1          1HG       PCA   1 -16.959   0.365   6.449
    6   2HG   PCA   1          2HG       PCA   1 -16.167   1.605   7.158
    7    H    LEU   2           H        LEU   2 -14.111  -0.621   2.865
    8    HA   LEU   2           HA       LEU   2 -16.003  -1.834   1.171
    9   1HB   LEU   2          1HB       LEU   2 -14.433  -0.556  -0.212
   10   2HB   LEU   2          2HB       LEU   2 -13.240  -1.478   0.416
   11    HG   LEU   2           HG       LEU   2 -14.427  -3.392  -0.561
   12   1HD1  LEU   2          1HD1      LEU   2 -15.799  -2.973  -2.480
   13   2HD1  LEU   2          2HD1      LEU   2 -15.736  -1.373  -2.163
   14   3HD1  LEU   2          3HD1      LEU   2 -16.491  -2.382  -1.124
   15   1HD2  LEU   2          1HD2      LEU   2 -13.373  -3.078  -2.724
   16   2HD2  LEU   2          2HD2      LEU   2 -12.375  -2.606  -1.522
   17   3HD2  LEU   2          3HD2      LEU   2 -13.195  -1.490  -2.387
   18    H    TYR   3           H        TYR   3 -16.535  -3.632   2.275
   19    HA   TYR   3           HA       TYR   3 -14.371  -5.209   3.523
   20   1HB   TYR   3          1HB       TYR   3 -15.875  -4.090   5.096
   21   2HB   TYR   3          2HB       TYR   3 -17.069  -5.042   4.517
   22    HD1  TYR   3           HD1      TYR   3 -14.148  -5.007   6.592
   23    HD2  TYR   3           HD2      TYR   3 -17.188  -7.428   5.132
   24    HE1  TYR   3           HE1      TYR   3 -13.585  -6.689   8.196
   25    HE2  TYR   3           HE2      TYR   3 -16.615  -9.108   6.733
   26    HH   TYR   3           HH       TYR   3 -15.336  -9.775   8.419
   27    H    GLU   4           H        GLU   4 -13.873  -6.961   2.356
   28    HA   GLU   4           HA       GLU   4 -16.050  -8.613   1.336
   29   1HB   GLU   4          1HB       GLU   4 -13.790  -7.765  -0.228
   30   2HB   GLU   4          2HB       GLU   4 -14.663  -9.084  -0.636
   31   1HG   GLU   4          1HG       GLU   4 -16.568  -7.716  -1.011
   32   2HG   GLU   4          2HG       GLU   4 -15.708  -6.394  -0.584
   33    H    ASN   5           H        ASN   5 -15.916 -10.716   2.094
   34    HA   ASN   5           HA       ASN   5 -13.396 -11.715   3.193
   35   1HB   ASN   5          1HB       ASN   5 -15.580 -11.907   4.324
   36   2HB   ASN   5          2HB       ASN   5 -15.968 -13.018   3.192
   37   1HD2  ASN   5          1HD2      ASN   5 -14.131 -12.436   6.060
   38   2HD2  ASN   5          2HD2      ASN   5 -13.667 -14.084   6.321
   39    H    LYS   6           H        LYS   6 -11.847 -12.573   1.963
   40    HA   LYS   6           HA       LYS   6 -12.515 -13.923  -0.495
   41   1HB   LYS   6          1HB       LYS   6  -9.955 -13.413   0.761
   42   2HB   LYS   6          2HB       LYS   6 -10.092 -14.175  -0.678
   43   1HG   LYS   6          1HG       LYS   6 -10.953 -11.459  -0.362
   44   2HG   LYS   6          2HG       LYS   6  -9.400 -11.813  -0.724
   45   1HD   LYS   6          1HD       LYS   6 -11.550 -12.617  -2.444
   46   2HD   LYS   6          2HD       LYS   6 -10.843 -11.152  -2.599
   47   1HE   LYS   6          1HE       LYS   6  -9.320 -13.571  -2.901
   48   2HE   LYS   6          2HE       LYS   6 -10.090 -12.890  -4.170
   49   1HZ   LYS   6          1HZ       LYS   6  -7.842 -12.237  -4.134
   50   2HZ   LYS   6          2HZ       LYS   6  -8.039 -11.623  -2.634
   51   3HZ   LYS   6          3HZ       LYS   6  -8.809 -10.942  -3.903
   52    HA   PRO   7           HA       PRO   7 -12.535 -17.930   1.675
   53   1HB   PRO   7          1HB       PRO   7 -13.322 -19.524  -0.301
   54   2HB   PRO   7          2HB       PRO   7 -14.411 -18.526   0.395
   55   1HG   PRO   7          1HG       PRO   7 -12.995 -18.109  -2.089
   56   2HG   PRO   7          2HG       PRO   7 -14.580 -17.845  -1.798
   57   1HD   PRO   7          1HD       PRO   7 -12.865 -15.854  -1.750
   58   2HD   PRO   7          2HD       PRO   7 -14.180 -15.838  -0.782
   59    H    ARG   8           H        ARG   8 -11.260 -19.502   2.316
   60    HA   ARG   8           HA       ARG   8  -8.699 -19.685   0.999
   61   1HB   ARG   8          1HB       ARG   8  -9.665 -20.794   3.486
   62   2HB   ARG   8          2HB       ARG   8  -8.167 -21.121   2.923
   63   1HG   ARG   8          1HG       ARG   8  -7.569 -18.829   3.171
   64   2HG   ARG   8          2HG       ARG   8  -9.069 -18.494   3.722
   65   1HD   ARG   8          1HD       ARG   8  -8.674 -19.802   5.663
   66   2HD   ARG   8          2HD       ARG   8  -7.197 -20.218   5.102
   67    HE   ARG   8           HE       ARG   8  -6.371 -18.032   5.499
   68   1HH1  ARG   8          1HH1      ARG   8  -9.658 -18.463   6.771
   69   2HH1  ARG   8          2HH1      ARG   8  -9.519 -17.056   7.772
   70   1HH2  ARG   8          1HH2      ARG   8  -6.317 -16.285   6.798
   71   2HH2  ARG   8          2HH2      ARG   8  -7.674 -15.855   7.786
   72    H    ARG   9           H        ARG   9  -8.229 -21.034  -0.660
   73    HA   ARG   9           HA       ARG   9  -9.197 -23.792  -0.570
   74   1HB   ARG   9          1HB       ARG   9  -9.859 -23.855  -2.764
   75   2HB   ARG   9          2HB       ARG   9 -10.731 -22.728  -1.965
   76   1HG   ARG   9          1HG       ARG   9  -9.546 -21.007  -3.066
   77   2HG   ARG   9          2HG       ARG   9  -8.627 -22.115  -3.836
   78   1HD   ARG   9          1HD       ARG   9 -10.135 -21.482  -5.427
   79   2HD   ARG   9          2HD       ARG   9 -10.746 -22.893  -4.876
   80    HE   ARG   9           HE       ARG   9 -11.816 -20.714  -3.433
   81   1HH1  ARG   9          1HH1      ARG   9 -12.365 -22.591  -6.392
   82   2HH1  ARG   9          2HH1      ARG   9 -13.986 -22.001  -6.543
   83   1HH2  ARG   9          1HH2      ARG   9 -13.853 -19.987  -3.762
   84   2HH2  ARG   9          2HH2      ARG   9 -14.807 -20.562  -5.089
   85    HA   PRO  10           HA       PRO  10  -4.736 -24.138  -1.440
   86   1HB   PRO  10          1HB       PRO  10  -4.340 -26.658  -0.787
   87   2HB   PRO  10          2HB       PRO  10  -4.571 -25.563   0.403
   88   1HG   PRO  10          1HG       PRO  10  -6.502 -27.419  -0.668
   89   2HG   PRO  10          2HG       PRO  10  -6.266 -27.028   0.900
   90   1HD   PRO  10          1HD       PRO  10  -8.211 -25.930  -0.522
   91   2HD   PRO  10          2HD       PRO  10  -7.531 -25.147   0.740
   92    H    TYR  11           H        TYR  11  -3.759 -24.028  -3.294
   93    HA   TYR  11           HA       TYR  11  -4.998 -25.308  -5.534
   94   1HB   TYR  11          1HB       TYR  11  -3.976 -23.028  -5.497
   95   2HB   TYR  11          2HB       TYR  11  -2.527 -23.777  -5.580
   96    HD1  TYR  11           HD1      TYR  11  -5.442 -22.901  -7.478
   97    HD2  TYR  11           HD2      TYR  11  -1.741 -24.770  -7.690
   98    HE1  TYR  11           HE1      TYR  11  -5.597 -22.945  -9.865
   99    HE2  TYR  11           HE2      TYR  11  -1.912 -24.832 -10.073
  100    HH   TYR  11           HH       TYR  11  -3.032 -24.360 -11.903
  101    H    ILE  12           H        ILE  12  -2.033 -26.206  -3.895
  102    HA   ILE  12           HA       ILE  12  -1.467 -28.146  -5.849
  103    HB   ILE  12           HB       ILE  12   0.201 -28.981  -4.359
  104   1HG1  ILE  12          1HG1      ILE  12   0.992 -27.555  -2.511
  105   2HG1  ILE  12          2HG1      ILE  12  -0.534 -26.975  -2.481
  106   1HG2  ILE  12          1HG2      ILE  12   1.723 -27.030  -4.574
  107   2HG2  ILE  12          2HG2      ILE  12   0.419 -26.120  -4.946
  108   3HG2  ILE  12          3HG2      ILE  12   0.893 -27.317  -5.951
  109   1HD1  ILE  12          1HD1      ILE  12  -0.266 -28.653  -0.829
  110   2HD1  ILE  12          2HD1      ILE  12   0.177 -29.727  -1.977
  111   3HD1  ILE  12          3HD1      ILE  12  -1.349 -29.146  -1.947
  112    H    LEU  13           H        LEU  13  -3.737 -28.540  -3.407
  113    HA   LEU  13           HA       LEU  13  -4.173 -31.304  -4.240
  114   1HB   LEU  13          1HB       LEU  13  -2.780 -31.331  -2.232
  115   2HB   LEU  13          2HB       LEU  13  -4.093 -30.771  -1.439
  116    HG   LEU  13           HG       LEU  13  -4.199 -33.229  -2.868
  117   1HD1  LEU  13          1HD1      LEU  13  -3.684 -34.417  -0.798
  118   2HD1  LEU  13          2HD1      LEU  13  -3.401 -32.982  -0.073
  119   3HD1  LEU  13          3HD1      LEU  13  -2.420 -33.499  -1.271
  120   1HD2  LEU  13          1HD2      LEU  13  -5.963 -33.847  -1.367
  121   2HD2  LEU  13          2HD2      LEU  13  -6.327 -32.482  -2.186
  122   3HD2  LEU  13          3HD2      LEU  13  -5.827 -32.394  -0.634
  123    HXT  LEU  13           HXT      LEU  13  -7.454 -30.262  -4.229
  Start of MODEL    4
    1    HN   PCA   1           HN       PCA   1 -25.146 -14.755  17.134
    2    HA   PCA   1           HA       PCA   1 -22.952 -15.892  16.774
    3   1HB   PCA   1          1HB       PCA   1 -23.652 -18.046  16.234
    4   2HB   PCA   1          2HB       PCA   1 -23.427 -17.532  14.700
    5   1HG   PCA   1          1HG       PCA   1 -25.658 -17.302  14.336
    6   2HG   PCA   1          2HG       PCA   1 -25.811 -18.330  15.596
    7    H    LEU   2           H        LEU   2 -21.258 -15.472  15.204
    8    HA   LEU   2           HA       LEU   2 -21.666 -13.149  13.667
    9   1HB   LEU   2          1HB       LEU   2 -20.513 -12.485  15.715
   10   2HB   LEU   2          2HB       LEU   2 -19.318 -13.517  15.297
   11    HG   LEU   2           HG       LEU   2 -19.056 -12.155  13.276
   12   1HD1  LEU   2          1HD1      LEU   2 -19.749  -9.865  13.386
   13   2HD1  LEU   2          2HD1      LEU   2 -20.560 -10.187  14.765
   14   3HD1  LEU   2          3HD1      LEU   2 -21.038 -10.866  13.359
   15   1HD2  LEU   2          1HD2      LEU   2 -17.636 -10.545  14.408
   16   2HD2  LEU   2          2HD2      LEU   2 -17.441 -12.035  15.047
   17   3HD2  LEU   2          3HD2      LEU   2 -18.359 -10.928  15.822
   18    H    TYR   3           H        TYR   3 -21.980 -14.330  11.807
   19    HA   TYR   3           HA       TYR   3 -19.971 -16.331  11.062
   20   1HB   TYR   3          1HB       TYR   3 -22.388 -16.779  10.933
   21   2HB   TYR   3          2HB       TYR   3 -22.440 -15.708   9.701
   22    HD1  TYR   3           HD1      TYR   3 -21.428 -19.029  10.602
   23    HD2  TYR   3           HD2      TYR   3 -21.585 -16.306   7.473
   24    HE1  TYR   3           HE1      TYR   3 -20.961 -20.784   9.046
   25    HE2  TYR   3           HE2      TYR   3 -21.134 -18.069   5.925
   26    HH   TYR   3           HH       TYR   3 -20.725 -20.182   5.533
   27    H    GLU   4           H        GLU   4 -18.129 -15.682  10.152
   28    HA   GLU   4           HA       GLU   4 -18.213 -13.474   8.225
   29   1HB   GLU   4          1HB       GLU   4 -16.065 -14.403   9.909
   30   2HB   GLU   4          2HB       GLU   4 -15.791 -13.379   8.666
   31   1HG   GLU   4          1HG       GLU   4 -17.520 -12.662  10.850
   32   2HG   GLU   4          2HG       GLU   4 -15.918 -12.351  10.891
   33    H    ASN   5           H        ASN   5 -18.101 -13.938   6.073
   34    HA   ASN   5           HA       ASN   5 -17.115 -16.523   5.235
   35   1HB   ASN   5          1HB       ASN   5 -18.487 -14.440   3.780
   36   2HB   ASN   5          2HB       ASN   5 -17.906 -15.767   3.025
   37   1HD2  ASN   5          1HD2      ASN   5 -20.486 -14.508   4.912
   38   2HD2  ASN   5          2HD2      ASN   5 -21.471 -15.932   4.855
   39    H    LYS   6           H        LYS   6 -15.035 -16.947   4.651
   40    HA   LYS   6           HA       LYS   6 -13.500 -14.896   3.237
   41   1HB   LYS   6          1HB       LYS   6 -12.517 -16.339   5.526
   42   2HB   LYS   6          2HB       LYS   6 -11.532 -15.538   4.498
   43   1HG   LYS   6          1HG       LYS   6 -13.525 -14.147   6.019
   44   2HG   LYS   6          2HG       LYS   6 -12.043 -14.439   6.640
   45   1HD   LYS   6          1HD       LYS   6 -12.317 -12.926   4.221
   46   2HD   LYS   6          2HD       LYS   6 -12.458 -12.191   5.673
   47   1HE   LYS   6          1HE       LYS   6 -10.211 -12.844   6.201
   48   2HE   LYS   6          2HE       LYS   6 -10.074 -13.523   4.721
   49   1HZ   LYS   6          1HZ       LYS   6  -9.107 -11.383   4.730
   50   2HZ   LYS   6          2HZ       LYS   6 -10.530 -10.739   5.205
   51   3HZ   LYS   6          3HZ       LYS   6 -10.393 -11.418   3.726
   52    HA   PRO   7           HA       PRO   7 -13.025 -18.858   0.914
   53   1HB   PRO   7          1HB       PRO   7 -12.349 -17.927  -1.457
   54   2HB   PRO   7          2HB       PRO   7 -13.903 -17.813  -0.969
   55   1HG   PRO   7          1HG       PRO   7 -11.902 -15.735  -0.937
   56   2HG   PRO   7          2HG       PRO   7 -13.467 -15.598  -1.386
   57   1HD   PRO   7          1HD       PRO   7 -12.673 -14.855   1.017
   58   2HD   PRO   7          2HD       PRO   7 -14.189 -15.407   0.765
   59    H    ARG   8           H        ARG   8 -11.627 -20.250   1.508
   60    HA   ARG   8           HA       ARG   8  -8.782 -19.771   0.906
   61   1HB   ARG   8          1HB       ARG   8  -9.275 -19.276   3.242
   62   2HB   ARG   8          2HB       ARG   8  -9.653 -20.855   3.421
   63   1HG   ARG   8          1HG       ARG   8  -7.396 -21.437   2.863
   64   2HG   ARG   8          2HG       ARG   8  -7.029 -19.850   2.747
   65   1HD   ARG   8          1HD       ARG   8  -7.506 -19.593   5.089
   66   2HD   ARG   8          2HD       ARG   8  -7.799 -21.196   5.189
   67    HE   ARG   8           HE       ARG   8  -5.191 -19.987   4.737
   68   1HH1  ARG   8          1HH1      ARG   8  -6.941 -22.968   5.536
   69   2HH1  ARG   8          2HH1      ARG   8  -5.473 -23.786   5.955
   70   1HH2  ARG   8          1HH2      ARG   8  -3.418 -21.112   5.300
   71   2HH2  ARG   8          2HH2      ARG   8  -3.527 -22.759   5.824
   72    H    ARG   9           H        ARG   9  -8.452 -21.137  -0.799
   73    HA   ARG   9           HA       ARG   9  -9.064 -24.008  -0.460
   74   1HB   ARG   9          1HB       ARG   9 -10.779 -22.885  -1.777
   75   2HB   ARG   9          2HB       ARG   9  -9.622 -22.601  -2.894
   76   1HG   ARG   9          1HG       ARG   9 -10.258 -25.294  -2.158
   77   2HG   ARG   9          2HG       ARG   9 -11.172 -24.516  -3.265
   78   1HD   ARG   9          1HD       ARG   9  -9.293 -24.341  -4.708
   79   2HD   ARG   9          2HD       ARG   9  -8.361 -25.092  -3.597
   80    HE   ARG   9           HE       ARG   9  -9.403 -27.160  -4.026
   81   1HH1  ARG   9          1HH1      ARG   9 -10.622 -24.636  -6.207
   82   2HH1  ARG   9          2HH1      ARG   9 -11.299 -25.812  -7.283
   83   1HH2  ARG   9          1HH2      ARG   9 -10.287 -28.539  -5.450
   84   2HH2  ARG   9          2HH2      ARG   9 -11.113 -27.971  -6.863
   85    HA   PRO  10           HA       PRO  10  -4.662 -23.678  -1.655
   86   1HB   PRO  10          1HB       PRO  10  -4.493 -26.420  -0.773
   87   2HB   PRO  10          2HB       PRO  10  -3.551 -25.182  -0.278
   88   1HG   PRO  10          1HG       PRO  10  -5.313 -26.117   1.358
   89   2HG   PRO  10          2HG       PRO  10  -5.081 -24.501   1.306
   90   1HD   PRO  10          1HD       PRO  10  -7.202 -26.000   0.020
   91   2HD   PRO  10          2HD       PRO  10  -7.349 -24.600   0.847
   92    H    TYR  11           H        TYR  11  -3.588 -23.828  -3.488
   93    HA   TYR  11           HA       TYR  11  -4.908 -25.318  -5.524
   94   1HB   TYR  11          1HB       TYR  11  -2.732 -23.402  -5.564
   95   2HB   TYR  11          2HB       TYR  11  -3.054 -24.242  -6.928
   96    HD1  TYR  11           HD1      TYR  11  -5.100 -23.795  -8.228
   97    HD2  TYR  11           HD2      TYR  11  -4.215 -21.570  -4.838
   98    HE1  TYR  11           HE1      TYR  11  -6.761 -22.191  -8.847
   99    HE2  TYR  11           HE2      TYR  11  -5.889 -19.978  -5.453
  100    HH   TYR  11           HH       TYR  11  -7.439 -19.306  -6.862
  101    H    ILE  12           H        ILE  12  -2.115 -26.267  -3.756
  102    HA   ILE  12           HA       ILE  12  -1.507 -28.333  -5.566
  103    HB   ILE  12           HB       ILE  12  -0.280 -29.347  -3.797
  104   1HG1  ILE  12          1HG1      ILE  12   0.437 -28.008  -1.885
  105   2HG1  ILE  12          2HG1      ILE  12  -0.910 -27.119  -2.136
  106   1HG2  ILE  12          1HG2      ILE  12   1.545 -27.645  -3.820
  107   2HG2  ILE  12          2HG2      ILE  12   0.468 -26.576  -4.422
  108   3HG2  ILE  12          3HG2      ILE  12   0.908 -27.877  -5.305
  109   1HD1  ILE  12          1HD1      ILE  12  -1.282 -28.697  -0.408
  110   2HD1  ILE  12          2HD1      ILE  12  -0.907 -29.917  -1.426
  111   3HD1  ILE  12          3HD1      ILE  12  -2.254 -29.028  -1.677
  112    H    LEU  13           H        LEU  13  -4.127 -28.335  -3.395
  113    HA   LEU  13           HA       LEU  13  -5.100 -30.781  -4.544
  114   1HB   LEU  13          1HB       LEU  13  -3.734 -31.605  -2.735
  115   2HB   LEU  13          2HB       LEU  13  -4.749 -30.851  -1.701
  116    HG   LEU  13           HG       LEU  13  -6.513 -32.266  -2.677
  117   1HD1  LEU  13          1HD1      LEU  13  -5.828 -34.374  -3.595
  118   2HD1  LEU  13          2HD1      LEU  13  -4.276 -33.866  -3.573
  119   3HD1  LEU  13          3HD1      LEU  13  -5.360 -33.137  -4.553
  120   1HD2  LEU  13          1HD2      LEU  13  -6.025 -34.097  -1.173
  121   2HD2  LEU  13          2HD2      LEU  13  -5.728 -32.661  -0.454
  122   3HD2  LEU  13          3HD2      LEU  13  -4.491 -33.555  -1.036
  123    HXT  LEU  13           HXT      LEU  13  -7.513 -28.549  -2.360
  Start of MODEL    5
    1    HN   PCA   1           HN       PCA   1 -15.145   0.484   9.695
    2    HA   PCA   1           HA       PCA   1 -12.730   0.282   8.668
    3   1HB   PCA   1          1HB       PCA   1 -12.543  -2.014  10.418
    4   2HB   PCA   1          2HB       PCA   1 -11.341  -0.973  10.045
    5   1HG   PCA   1          1HG       PCA   1 -12.562  -0.859  12.392
    6   2HG   PCA   1          2HG       PCA   1 -11.934   0.485  11.708
    7    H    LEU   2           H        LEU   2 -12.367  -0.974   6.848
    8    HA   LEU   2           HA       LEU   2 -14.561  -2.413   5.887
    9   1HB   LEU   2          1HB       LEU   2 -13.105  -0.480   4.312
   10   2HB   LEU   2          2HB       LEU   2 -13.996  -1.671   3.639
   11    HG   LEU   2           HG       LEU   2 -15.200   0.324   5.296
   12   1HD1  LEU   2          1HD1      LEU   2 -15.806   1.544   3.289
   13   2HD1  LEU   2          2HD1      LEU   2 -14.922   0.494   2.405
   14   3HD1  LEU   2          3HD1      LEU   2 -14.184   1.493   3.465
   15   1HD2  LEU   2          1HD2      LEU   2 -17.239  -0.234   4.171
   16   2HD2  LEU   2          2HD2      LEU   2 -16.604  -1.541   4.915
   17   3HD2  LEU   2          3HD2      LEU   2 -16.439  -1.360   3.301
   18    H    TYR   3           H        TYR   3 -13.885  -4.499   5.790
   19    HA   TYR   3           HA       TYR   3 -11.176  -5.072   4.846
   20   1HB   TYR   3          1HB       TYR   3 -10.781  -6.679   6.448
   21   2HB   TYR   3          2HB       TYR   3 -11.047  -5.240   7.172
   22    HD1  TYR   3           HD1      TYR   3 -12.314  -8.571   6.805
   23    HD2  TYR   3           HD2      TYR   3 -12.930  -4.932   8.706
   24    HE1  TYR   3           HE1      TYR   3 -13.960  -9.582   8.213
   25    HE2  TYR   3           HE2      TYR   3 -14.561  -5.956  10.126
   26    HH   TYR   3           HH       TYR   3 -15.709  -7.759  10.714
   27    H    GLU   4           H        GLU   4 -11.092  -6.344   3.068
   28    HA   GLU   4           HA       GLU   4 -13.402  -7.948   2.382
   29   1HB   GLU   4          1HB       GLU   4 -11.024  -7.302   0.885
   30   2HB   GLU   4          2HB       GLU   4 -12.135  -8.357   0.319
   31   1HG   GLU   4          1HG       GLU   4 -13.744  -6.607   0.208
   32   2HG   GLU   4          2HG       GLU   4 -12.636  -5.551   0.777
   33    H    ASN   5           H        ASN   5 -13.669 -10.088   2.841
   34    HA   ASN   5           HA       ASN   5 -11.393 -11.687   3.745
   35   1HB   ASN   5          1HB       ASN   5 -13.570 -11.601   4.897
   36   2HB   ASN   5          2HB       ASN   5 -14.172 -12.449   3.638
   37   1HD2  ASN   5          1HD2      ASN   5 -12.231 -12.635   6.493
   38   2HD2  ASN   5          2HD2      ASN   5 -12.114 -14.363   6.525
   39    H    LYS   6           H        LYS   6 -10.024 -12.602   2.343
   40    HA   LYS   6           HA       LYS   6 -10.980 -13.504  -0.221
   41   1HB   LYS   6          1HB       LYS   6  -8.750 -13.909  -0.767
   42   2HB   LYS   6          2HB       LYS   6  -8.881 -12.419  -0.110
   43   1HG   LYS   6          1HG       LYS   6  -7.903 -13.229   1.901
   44   2HG   LYS   6          2HG       LYS   6  -7.754 -14.709   1.226
   45   1HD   LYS   6          1HD       LYS   6  -6.413 -12.460   0.054
   46   2HD   LYS   6          2HD       LYS   6  -5.726 -13.260   1.301
   47   1HE   LYS   6          1HE       LYS   6  -5.691 -15.259  -0.027
   48   2HE   LYS   6          2HE       LYS   6  -6.319 -14.420  -1.280
   49   1HZ   LYS   6          1HZ       LYS   6  -3.986 -14.603  -1.508
   50   2HZ   LYS   6          2HZ       LYS   6  -3.786 -13.879  -0.059
   51   3HZ   LYS   6          3HZ       LYS   6  -4.414 -13.040  -1.311
   52    HA   PRO   7           HA       PRO   7 -11.941 -17.653   1.098
   53   1HB   PRO   7          1HB       PRO   7 -11.833 -18.352  -1.727
   54   2HB   PRO   7          2HB       PRO   7 -13.072 -18.654  -0.706
   55   1HG   PRO   7          1HG       PRO   7 -13.343 -16.763  -2.433
   56   2HG   PRO   7          2HG       PRO   7 -13.921 -16.523  -0.925
   57   1HD   PRO   7          1HD       PRO   7 -11.466 -15.497  -2.042
   58   2HD   PRO   7          2HD       PRO   7 -12.502 -14.722  -1.044
   59    H    ARG   8           H        ARG   8 -11.036 -19.359   1.964
   60    HA   ARG   8           HA       ARG   8  -8.290 -19.921   1.205
   61   1HB   ARG   8          1HB       ARG   8  -9.848 -20.791   3.461
   62   2HB   ARG   8          2HB       ARG   8  -8.348 -21.368   3.169
   63   1HG   ARG   8          1HG       ARG   8  -7.434 -19.209   3.525
   64   2HG   ARG   8          2HG       ARG   8  -8.931 -18.606   3.777
   65   1HD   ARG   8          1HD       ARG   8  -8.067 -18.826   5.884
   66   2HD   ARG   8          2HD       ARG   8  -9.042 -20.127   5.729
   67    HE   ARG   8           HE       ARG   8  -6.401 -20.760   4.949
   68   1HH1  ARG   8          1HH1      ARG   8  -8.440 -20.576   7.844
   69   2HH1  ARG   8          2HH1      ARG   8  -7.359 -21.584   8.747
   70   1HH2  ARG   8          1HH2      ARG   8  -5.091 -21.983   6.198
   71   2HH2  ARG   8          2HH2      ARG   8  -5.509 -22.361   7.836
   72    H    ARG   9           H        ARG   9  -8.227 -20.959  -0.760
   73    HA   ARG   9           HA       ARG   9  -9.463 -23.644  -0.959
   74   1HB   ARG   9          1HB       ARG   9 -10.503 -21.929  -2.355
   75   2HB   ARG   9          2HB       ARG   9  -9.076 -21.799  -3.139
   76   1HG   ARG   9          1HG       ARG   9  -9.297 -24.056  -3.889
   77   2HG   ARG   9          2HG       ARG   9 -10.739 -24.159  -3.129
   78   1HD   ARG   9          1HD       ARG   9 -11.323 -23.818  -5.306
   79   2HD   ARG   9          2HD       ARG   9 -11.467 -22.329  -4.652
   80    HE   ARG   9           HE       ARG   9  -8.879 -22.559  -5.647
   81   1HH1  ARG   9          1HH1      ARG   9 -12.159 -22.146  -6.937
   82   2HH1  ARG   9          2HH1      ARG   9 -11.563 -21.466  -8.413
   83   1HH2  ARG   9          1HH2      ARG   9  -8.244 -21.713  -7.565
   84   2HH2  ARG   9          2HH2      ARG   9  -9.401 -21.228  -8.759
   85    HA   PRO  10           HA       PRO  10  -4.949 -24.413  -1.239
   86   1HB   PRO  10          1HB       PRO  10  -5.638 -27.170  -0.825
   87   2HB   PRO  10          2HB       PRO  10  -4.571 -26.287   0.041
   88   1HG   PRO  10          1HG       PRO  10  -6.829 -26.910   1.127
   89   2HG   PRO  10          2HG       PRO  10  -6.215 -25.421   1.400
   90   1HD   PRO  10          1HD       PRO  10  -8.289 -26.132  -0.494
   91   2HD   PRO  10          2HD       PRO  10  -8.275 -24.848   0.516
   92    H    TYR  11           H        TYR  11  -3.968 -24.109  -3.078
   93    HA   TYR  11           HA       TYR  11  -5.098 -25.304  -5.421
   94   1HB   TYR  11          1HB       TYR  11  -4.164 -22.996  -5.251
   95   2HB   TYR  11          2HB       TYR  11  -2.688 -23.688  -5.338
   96    HD1  TYR  11           HD1      TYR  11  -1.826 -24.551  -7.479
   97    HD2  TYR  11           HD2      TYR  11  -5.608 -22.856  -7.252
   98    HE1  TYR  11           HE1      TYR  11  -1.969 -24.539  -9.864
   99    HE2  TYR  11           HE2      TYR  11  -5.736 -22.827  -9.639
  100    HH   TYR  11           HH       TYR  11  -4.801 -23.283 -11.602
  101    H    ILE  12           H        ILE  12  -2.137 -26.145  -3.740
  102    HA   ILE  12           HA       ILE  12  -1.419 -27.996  -5.805
  103    HB   ILE  12           HB       ILE  12   0.143 -26.721  -4.416
  104   1HG1  ILE  12          1HG1      ILE  12   0.979 -29.474  -4.553
  105   2HG1  ILE  12          2HG1      ILE  12   0.787 -28.591  -5.914
  106   1HG2  ILE  12          1HG2      ILE  12   0.985 -27.677  -2.389
  107   2HG2  ILE  12          2HG2      ILE  12  -0.232 -28.765  -2.423
  108   3HG2  ILE  12          3HG2      ILE  12  -0.562 -27.176  -2.242
  109   1HD1  ILE  12          1HD1      ILE  12   3.081 -28.681  -5.315
  110   2HD1  ILE  12          2HD1      ILE  12   2.739 -28.025  -3.860
  111   3HD1  ILE  12          3HD1      ILE  12   2.547 -27.142  -5.220
  112    H    LEU  13           H        LEU  13  -3.554 -28.610  -3.267
  113    HA   LEU  13           HA       LEU  13  -3.812 -31.304  -4.314
  114   1HB   LEU  13          1HB       LEU  13  -3.586 -30.791  -1.496
  115   2HB   LEU  13          2HB       LEU  13  -4.212 -32.180  -2.085
  116    HG   LEU  13           HG       LEU  13  -1.515 -31.413  -2.647
  117   1HD1  LEU  13          1HD1      LEU  13  -0.785 -32.820  -0.826
  118   2HD1  LEU  13          2HD1      LEU  13  -2.344 -33.052  -0.400
  119   3HD1  LEU  13          3HD1      LEU  13  -1.675 -31.569  -0.271
  120   1HD2  LEU  13          1HD2      LEU  13  -1.140 -33.735  -3.078
  121   2HD2  LEU  13          2HD2      LEU  13  -2.303 -33.136  -4.056
  122   3HD2  LEU  13          3HD2      LEU  13  -2.713 -34.038  -2.758
  123    HXT  LEU  13           HXT      LEU  13  -7.222 -30.589  -4.172
  Start of MODEL    6
    1    HN   PCA   1           HN       PCA   1 -13.137   2.338   6.971
    2    HA   PCA   1           HA       PCA   1 -11.084   1.465   5.857
    3   1HB   PCA   1          1HB       PCA   1 -10.421  -0.677   7.339
    4   2HB   PCA   1          2HB       PCA   1  -9.836   0.801   7.715
    5   1HG   PCA   1          1HG       PCA   1 -11.930  -0.631   9.040
    6   2HG   PCA   1          2HG       PCA   1 -10.933   0.493   9.680
    7    H    LEU   2           H        LEU   2 -10.689  -0.500   4.523
    8    HA   LEU   2           HA       LEU   2 -13.082  -1.507   3.437
    9   1HB   LEU   2          1HB       LEU   2 -12.222   0.214   1.921
   10   2HB   LEU   2          2HB       LEU   2 -10.863  -0.682   1.788
   11    HG   LEU   2           HG       LEU   2 -12.309  -2.456   0.900
   12   1HD1  LEU   2          1HD1      LEU   2 -14.352  -1.784  -0.157
   13   2HD1  LEU   2          2HD1      LEU   2 -14.191  -0.298   0.499
   14   3HD1  LEU   2          3HD1      LEU   2 -14.441  -1.593   1.462
   15   1HD2  LEU   2          1HD2      LEU   2 -12.227  -1.544  -1.346
   16   2HD2  LEU   2          2HD2      LEU   2 -10.836  -1.236  -0.548
   17   3HD2  LEU   2          3HD2      LEU   2 -11.959  -0.062  -0.716
   18    H    TYR   3           H        TYR   3 -13.061  -3.502   4.355
   19    HA   TYR   3           HA       TYR   3 -10.535  -4.962   4.562
   20   1HB   TYR   3          1HB       TYR   3 -12.137  -4.781   6.423
   21   2HB   TYR   3          2HB       TYR   3 -13.123  -5.759   5.562
   22    HD1  TYR   3           HD1      TYR   3 -10.145  -5.679   7.552
   23    HD2  TYR   3           HD2      TYR   3 -12.649  -8.175   5.376
   24    HE1  TYR   3           HE1      TYR   3  -9.111  -7.590   8.549
   25    HE2  TYR   3           HE2      TYR   3 -11.605 -10.082   6.369
   26    HH   TYR   3           HH       TYR   3 -10.117 -10.919   7.759
   27    H    GLU   4           H        GLU   4  -9.747  -6.126   2.914
   28    HA   GLU   4           HA       GLU   4 -11.559  -7.285   0.994
   29   1HB   GLU   4          1HB       GLU   4  -8.676  -7.153   1.056
   30   2HB   GLU   4          2HB       GLU   4  -9.469  -7.985  -0.105
   31   1HG   GLU   4          1HG       GLU   4 -10.420  -5.953  -0.908
   32   2HG   GLU   4          2HG       GLU   4  -9.622  -5.123   0.250
   33    H    ASN   5           H        ASN   5 -12.454  -9.285   1.113
   34    HA   ASN   5           HA       ASN   5 -11.255 -11.331   2.837
   35   1HB   ASN   5          1HB       ASN   5 -13.641 -10.710   2.920
   36   2HB   ASN   5          2HB       ASN   5 -13.789 -11.433   1.463
   37   1HD2  ASN   5          1HD2      ASN   5 -13.893 -13.728   1.289
   38   2HD2  ASN   5          2HD2      ASN   5 -13.980 -14.709   2.714
   39    H    LYS   6           H        LYS   6  -9.589 -12.470   2.056
   40    HA   LYS   6           HA       LYS   6  -9.574 -13.319  -0.716
   41   1HB   LYS   6          1HB       LYS   6  -7.623 -13.578   1.406
   42   2HB   LYS   6          2HB       LYS   6  -7.391 -14.259  -0.060
   43   1HG   LYS   6          1HG       LYS   6  -7.373 -12.066  -1.039
   44   2HG   LYS   6          2HG       LYS   6  -7.509 -11.423   0.457
   45   1HD   LYS   6          1HD       LYS   6  -5.249 -13.071  -0.169
   46   2HD   LYS   6          2HD       LYS   6  -5.239 -11.496  -0.600
   47   1HE   LYS   6          1HE       LYS   6  -5.438 -10.879   1.709
   48   2HE   LYS   6          2HE       LYS   6  -5.399 -12.458   2.123
   49   1HZ   LYS   6          1HZ       LYS   6  -3.265 -11.497   2.368
   50   2HZ   LYS   6          2HZ       LYS   6  -3.277 -11.066   0.794
   51   3HZ   LYS   6          3HZ       LYS   6  -3.239 -12.645   1.208
   52    HA   PRO   7           HA       PRO   7 -11.492 -17.251   0.464
   53   1HB   PRO   7          1HB       PRO   7 -10.940 -18.080  -2.263
   54   2HB   PRO   7          2HB       PRO   7 -12.390 -18.129  -1.515
   55   1HG   PRO   7          1HG       PRO   7 -11.993 -16.318  -3.303
   56   2HG   PRO   7          2HG       PRO   7 -12.821 -15.910  -1.955
   57   1HD   PRO   7          1HD       PRO   7 -10.042 -15.358  -2.533
   58   2HD   PRO   7          2HD       PRO   7 -11.125 -14.353  -1.837
   59    H    ARG   8           H        ARG   8 -11.023 -19.063   1.457
   60    HA   ARG   8           HA       ARG   8  -8.237 -20.000   1.287
   61   1HB   ARG   8          1HB       ARG   8  -9.275 -19.338   3.405
   62   2HB   ARG   8          2HB       ARG   8 -10.220 -20.663   3.264
   63   1HG   ARG   8          1HG       ARG   8  -8.266 -22.042   3.376
   64   2HG   ARG   8          2HG       ARG   8  -7.351 -20.704   3.578
   65   1HD   ARG   8          1HD       ARG   8  -9.379 -21.430   5.488
   66   2HD   ARG   8          2HD       ARG   8  -7.846 -21.978   5.625
   67    HE   ARG   8           HE       ARG   8  -8.727 -19.256   6.067
   68   1HH1  ARG   8          1HH1      ARG   8  -5.927 -21.434   6.084
   69   2HH1  ARG   8          2HH1      ARG   8  -4.993 -20.327   7.034
   70   1HH2  ARG   8          1HH2      ARG   8  -7.468 -17.962   7.299
   71   2HH2  ARG   8          2HH2      ARG   8  -5.845 -18.412   7.703
   72    H    ARG   9           H        ARG   9  -8.048 -21.113  -0.616
   73    HA   ARG   9           HA       ARG   9  -9.441 -23.710  -0.773
   74   1HB   ARG   9          1HB       ARG   9 -10.495 -22.054  -2.228
   75   2HB   ARG   9          2HB       ARG   9  -9.088 -21.989  -3.055
   76   1HG   ARG   9          1HG       ARG   9  -9.358 -24.287  -3.667
   77   2HG   ARG   9          2HG       ARG   9 -10.783 -24.321  -2.871
   78   1HD   ARG   9          1HD       ARG   9 -11.682 -22.738  -4.435
   79   2HD   ARG   9          2HD       ARG   9 -10.261 -22.740  -5.241
   80    HE   ARG   9           HE       ARG   9 -11.065 -25.380  -5.098
   81   1HH1  ARG   9          1HH1      ARG   9 -12.209 -22.471  -6.779
   82   2HH1  ARG   9          2HH1      ARG   9 -12.964 -23.411  -8.022
   83   1HH2  ARG   9          1HH2      ARG   9 -12.061 -26.457  -6.714
   84   2HH2  ARG   9          2HH2      ARG   9 -12.881 -25.614  -7.985
   85    HA   PRO  10           HA       PRO  10  -4.951 -24.578  -1.160
   86   1HB   PRO  10          1HB       PRO  10  -5.694 -27.337  -0.839
   87   2HB   PRO  10          2HB       PRO  10  -4.601 -26.509   0.049
   88   1HG   PRO  10          1HG       PRO  10  -6.862 -27.119   1.132
   89   2HG   PRO  10          2HG       PRO  10  -6.215 -25.653   1.450
   90   1HD   PRO  10          1HD       PRO  10  -8.318 -26.258  -0.447
   91   2HD   PRO  10          2HD       PRO  10  -8.269 -25.008   0.603
   92    H    TYR  11           H        TYR  11  -3.983 -24.203  -2.983
   93    HA   TYR  11           HA       TYR  11  -5.120 -25.313  -5.373
   94   1HB   TYR  11          1HB       TYR  11  -4.262 -22.995  -5.127
   95   2HB   TYR  11          2HB       TYR  11  -2.760 -23.631  -5.207
   96    HD1  TYR  11           HD1      TYR  11  -5.660 -22.813  -7.152
   97    HD2  TYR  11           HD2      TYR  11  -1.834 -24.409  -7.353
   98    HE1  TYR  11           HE1      TYR  11  -5.736 -22.700  -9.540
   99    HE2  TYR  11           HE2      TYR  11  -1.923 -24.314  -9.740
  100    HH   TYR  11           HH       TYR  11  -3.015 -23.796 -11.574
  101    H    ILE  12           H        ILE  12  -2.059 -26.082  -3.808
  102    HA   ILE  12           HA       ILE  12  -1.375 -27.818  -5.894
  103    HB   ILE  12           HB       ILE  12   0.429 -28.609  -4.506
  104   1HG1  ILE  12          1HG1      ILE  12  -0.045 -26.647  -2.497
  105   2HG1  ILE  12          2HG1      ILE  12  -0.664 -28.151  -2.353
  106   1HG2  ILE  12          1HG2      ILE  12   1.741 -26.559  -4.568
  107   2HG2  ILE  12          2HG2      ILE  12   0.367 -25.727  -4.855
  108   3HG2  ILE  12          3HG2      ILE  12   0.916 -26.800  -5.956
  109   1HD1  ILE  12          1HD1      ILE  12   1.370 -27.985  -1.131
  110   2HD1  ILE  12          2HD1      ILE  12   2.163 -27.555  -2.492
  111   3HD1  ILE  12          3HD1      ILE  12   1.544 -29.059  -2.348
  112    H    LEU  13           H        LEU  13  -3.408 -28.607  -3.275
  113    HA   LEU  13           HA       LEU  13  -3.691 -31.282  -4.358
  114   1HB   LEU  13          1HB       LEU  13  -3.252 -30.838  -1.555
  115   2HB   LEU  13          2HB       LEU  13  -3.885 -32.227  -2.137
  116    HG   LEU  13           HG       LEU  13  -1.256 -31.363  -2.863
  117   1HD1  LEU  13          1HD1      LEU  13  -0.365 -32.827  -1.160
  118   2HD1  LEU  13          2HD1      LEU  13  -1.884 -33.120  -0.639
  119   3HD1  LEU  13          3HD1      LEU  13  -1.244 -31.625  -0.490
  120   1HD2  LEU  13          1HD2      LEU  13  -0.852 -33.653  -3.418
  121   2HD2  LEU  13          2HD2      LEU  13  -2.094 -33.048  -4.288
  122   3HD2  LEU  13          3HD2      LEU  13  -2.390 -34.014  -3.005
  123    HXT  LEU  13           HXT      LEU  13  -6.722 -29.604  -2.428
  Start of MODEL    7
    1    HN   PCA   1           HN       PCA   1 -16.775  -1.488  13.707
    2    HA   PCA   1           HA       PCA   1 -15.222  -3.380  14.171
    3   1HB   PCA   1          1HB       PCA   1 -16.474  -4.608  15.710
    4   2HB   PCA   1          2HB       PCA   1 -16.861  -5.501  14.399
    5   1HG   PCA   1          1HG       PCA   1 -18.935  -4.584  14.252
    6   2HG   PCA   1          2HG       PCA   1 -18.706  -4.207  15.824
    7    H    LEU   2           H        LEU   2 -14.503  -5.235  12.823
    8    HA   LEU   2           HA       LEU   2 -14.909  -4.743  10.082
    9   1HB   LEU   2          1HB       LEU   2 -12.731  -3.813  10.708
   10   2HB   LEU   2          2HB       LEU   2 -12.304  -5.316  11.187
   11    HG   LEU   2           HG       LEU   2 -12.697  -5.996   8.863
   12   1HD1  LEU   2          1HD1      LEU   2 -12.464  -4.322   7.167
   13   2HD1  LEU   2          2HD1      LEU   2 -12.513  -3.165   8.317
   14   3HD1  LEU   2          3HD1      LEU   2 -13.827  -4.091   8.035
   15   1HD2  LEU   2          1HD2      LEU   2 -10.471  -5.311   8.174
   16   2HD2  LEU   2          2HD2      LEU   2 -10.464  -5.817   9.727
   17   3HD2  LEU   2          3HD2      LEU   2 -10.451  -4.220   9.388
   18    H    TYR   3           H        TYR   3 -16.195  -6.413   9.534
   19    HA   TYR   3           HA       TYR   3 -15.442  -9.124  10.438
   20   1HB   TYR   3          1HB       TYR   3 -17.431  -8.233  11.540
   21   2HB   TYR   3          2HB       TYR   3 -18.155  -8.236  10.076
   22    HD1  TYR   3           HD1      TYR   3 -18.899 -10.348   9.042
   23    HD2  TYR   3           HD2      TYR   3 -17.064 -10.336  12.766
   24    HE1  TYR   3           HE1      TYR   3 -19.605 -12.604   9.403
   25    HE2  TYR   3           HE2      TYR   3 -17.786 -12.586  13.126
   26    HH   TYR   3           HH       TYR   3 -18.862 -14.380  12.393
   27    H    GLU   4           H        GLU   4 -14.495 -10.174   8.788
   28    HA   GLU   4           HA       GLU   4 -15.856 -10.190   6.205
   29   1HB   GLU   4          1HB       GLU   4 -13.049  -9.686   6.546
   30   2HB   GLU   4          2HB       GLU   4 -13.654 -10.228   5.128
   31   1HG   GLU   4          1HG       GLU   4 -14.915  -8.220   4.903
   32   2HG   GLU   4          2HG       GLU   4 -14.302  -7.678   6.316
   33    H    ASN   5           H        ASN   5 -16.424 -12.270   5.644
   34    HA   ASN   5           HA       ASN   5 -14.690 -14.522   6.472
   35   1HB   ASN   5          1HB       ASN   5 -16.780 -14.331   7.723
   36   2HB   ASN   5          2HB       ASN   5 -17.559 -14.635   6.320
   37   1HD2  ASN   5          1HD2      ASN   5 -15.742 -16.039   8.896
   38   2HD2  ASN   5          2HD2      ASN   5 -15.978 -17.686   8.414
   39    H    LYS   6           H        LYS   6 -13.539 -15.231   4.791
   40    HA   LYS   6           HA       LYS   6 -14.928 -15.816   2.288
   41   1HB   LYS   6          1HB       LYS   6 -12.451 -14.346   2.439
   42   2HB   LYS   6          2HB       LYS   6 -12.984 -15.036   1.057
   43   1HG   LYS   6          1HG       LYS   6 -14.483 -12.960   2.346
   44   2HG   LYS   6          2HG       LYS   6 -13.297 -12.607   1.281
   45   1HD   LYS   6          1HD       LYS   6 -15.533 -14.208   0.471
   46   2HD   LYS   6          2HD       LYS   6 -15.630 -12.578   0.440
   47   1HE   LYS   6          1HE       LYS   6 -13.814 -12.520  -1.130
   48   2HE   LYS   6          2HE       LYS   6 -13.774 -14.153  -1.124
   49   1HZ   LYS   6          1HZ       LYS   6 -14.988 -13.373  -2.980
   50   2HZ   LYS   6          2HZ       LYS   6 -16.006 -12.578  -1.982
   51   3HZ   LYS   6          3HZ       LYS   6 -15.966 -14.210  -1.976
   52    HA   PRO   7           HA       PRO   7 -12.443 -19.546   3.318
   53   1HB   PRO   7          1HB       PRO   7 -13.485 -21.295   1.619
   54   2HB   PRO   7          2HB       PRO   7 -14.345 -20.855   2.936
   55   1HG   PRO   7          1HG       PRO   7 -14.645 -19.861   0.241
   56   2HG   PRO   7          2HG       PRO   7 -15.834 -20.283   1.278
   57   1HD   PRO   7          1HD       PRO   7 -15.162 -17.759   0.960
   58   2HD   PRO   7          2HD       PRO   7 -15.722 -18.297   2.397
   59    H    ARG   8           H        ARG   8 -10.544 -20.381   2.977
   60    HA   ARG   8           HA       ARG   8  -9.120 -19.523   0.563
   61   1HB   ARG   8          1HB       ARG   8  -8.283 -19.144   2.844
   62   2HB   ARG   8          2HB       ARG   8  -8.059 -20.759   2.946
   63   1HG   ARG   8          1HG       ARG   8  -5.985 -20.004   2.494
   64   2HG   ARG   8          2HG       ARG   8  -6.516 -20.483   1.026
   65   1HD   ARG   8          1HD       ARG   8  -5.456 -18.502   0.615
   66   2HD   ARG   8          2HD       ARG   8  -7.040 -18.105   0.608
   67    HE   ARG   8           HE       ARG   8  -6.007 -17.759   3.197
   68   1HH1  ARG   8          1HH1      ARG   8  -6.029 -16.078   0.074
   69   2HH1  ARG   8          2HH1      ARG   8  -5.720 -14.547   0.821
   70   1HH2  ARG   8          1HH2      ARG   8  -5.610 -15.772   4.028
   71   2HH2  ARG   8          2HH2      ARG   8  -5.489 -14.380   3.006
   72    H    ARG   9           H        ARG   9  -9.255 -20.753  -1.255
   73    HA   ARG   9           HA       ARG   9  -9.527 -23.620  -1.023
   74   1HB   ARG   9          1HB       ARG   9  -9.910 -23.660  -3.302
   75   2HB   ARG   9          2HB       ARG   9 -10.822 -22.479  -2.637
   76   1HG   ARG   9          1HG       ARG   9  -9.358 -20.843  -3.554
   77   2HG   ARG   9          2HG       ARG   9  -8.463 -22.029  -4.231
   78   1HD   ARG   9          1HD       ARG   9 -11.220 -21.675  -4.971
   79   2HD   ARG   9          2HD       ARG   9 -10.039 -20.843  -5.731
   80    HE   ARG   9           HE       ARG   9  -9.208 -23.415  -5.940
   81   1HH1  ARG   9          1HH1      ARG   9 -12.186 -21.792  -6.986
   82   2HH1  ARG   9          2HH1      ARG   9 -12.402 -22.896  -8.303
   83   1HH2  ARG   9          1HH2      ARG   9  -9.571 -24.730  -7.654
   84   2HH2  ARG   9          2HH2      ARG   9 -10.957 -24.517  -8.670
   85    HA   PRO  10           HA       PRO  10  -5.054 -24.268  -1.348
   86   1HB   PRO  10          1HB       PRO  10  -4.939 -26.836  -0.790
   87   2HB   PRO  10          2HB       PRO  10  -5.226 -25.773   0.417
   88   1HG   PRO  10          1HG       PRO  10  -7.150 -27.419  -0.961
   89   2HG   PRO  10          2HG       PRO  10  -7.078 -27.106   0.640
   90   1HD   PRO  10          1HD       PRO  10  -8.746 -25.803  -0.944
   91   2HD   PRO  10          2HD       PRO  10  -8.157 -25.120   0.418
   92    H    TYR  11           H        TYR  11  -3.908 -24.073  -3.087
   93    HA   TYR  11           HA       TYR  11  -4.931 -25.203  -5.513
   94   1HB   TYR  11          1HB       TYR  11  -3.912 -22.949  -5.278
   95   2HB   TYR  11          2HB       TYR  11  -2.463 -23.700  -5.210
   96    HD1  TYR  11           HD1      TYR  11  -5.126 -22.749  -7.421
   97    HD2  TYR  11           HD2      TYR  11  -1.428 -24.624  -7.240
   98    HE1  TYR  11           HE1      TYR  11  -4.994 -22.726  -9.808
   99    HE2  TYR  11           HE2      TYR  11  -1.310 -24.614  -9.628
  100    HH   TYR  11           HH       TYR  11  -2.223 -24.083 -11.576
  101    H    ILE  12           H        ILE  12  -2.071 -26.153  -3.691
  102    HA   ILE  12           HA       ILE  12  -1.423 -28.062  -5.641
  103    HB   ILE  12           HB       ILE  12   0.220 -28.917  -4.099
  104   1HG1  ILE  12          1HG1      ILE  12  -0.210 -26.835  -2.203
  105   2HG1  ILE  12          2HG1      ILE  12  -0.990 -28.262  -2.051
  106   1HG2  ILE  12          1HG2      ILE  12   1.709 -26.998  -4.137
  107   2HG2  ILE  12          2HG2      ILE  12   0.439 -26.063  -4.562
  108   3HG2  ILE  12          3HG2      ILE  12   0.968 -27.231  -5.573
  109   1HD1  ILE  12          1HD1      ILE  12   0.956 -28.245  -0.684
  110   2HD1  ILE  12          2HD1      ILE  12   1.885 -27.958  -1.995
  111   3HD1  ILE  12          3HD1      ILE  12   1.105 -29.385  -1.844
  112    H    LEU  13           H        LEU  13  -3.779 -28.484  -3.262
  113    HA   LEU  13           HA       LEU  13  -4.174 -31.232  -4.153
  114   1HB   LEU  13          1HB       LEU  13  -2.919 -31.340  -2.085
  115   2HB   LEU  13          2HB       LEU  13  -4.192 -30.636  -1.342
  116    HG   LEU  13           HG       LEU  13  -5.493 -32.588  -2.104
  117   1HD1  LEU  13          1HD1      LEU  13  -4.282 -34.626  -2.454
  118   2HD1  LEU  13          2HD1      LEU  13  -2.882 -33.787  -2.421
  119   3HD1  LEU  13          3HD1      LEU  13  -3.953 -33.540  -3.629
  120   1HD2  LEU  13          1HD2      LEU  13  -4.847 -33.901  -0.180
  121   2HD2  LEU  13          2HD2      LEU  13  -4.941 -32.317   0.205
  122   3HD2  LEU  13          3HD2      LEU  13  -3.485 -33.010  -0.049
  123    HXT  LEU  13           HXT      LEU  13  -7.263 -29.239  -2.762
  Start of MODEL    8
    1    HN   PCA   1           HN       PCA   1 -26.491  -8.223   1.964
    2    HA   PCA   1           HA       PCA   1 -25.350  -7.487   4.074
    3   1HB   PCA   1          1HB       PCA   1 -26.131  -9.057   5.587
    4   2HB   PCA   1          2HB       PCA   1 -24.712  -9.801   5.268
    5   1HG   PCA   1          1HG       PCA   1 -25.709 -11.376   3.973
    6   2HG   PCA   1          2HG       PCA   1 -27.074 -10.946   4.760
    7    H    LEU   2           H        LEU   2 -23.165  -6.984   4.215
    8    HA   LEU   2           HA       LEU   2 -21.514  -7.842   2.129
    9   1HB   LEU   2          1HB       LEU   2 -21.746  -5.088   2.969
   10   2HB   LEU   2          2HB       LEU   2 -20.448  -5.652   2.154
   11    HG   LEU   2           HG       LEU   2 -23.061  -5.691   0.996
   12   1HD1  LEU   2          1HD1      LEU   2 -22.522  -3.618  -0.142
   13   2HD1  LEU   2          2HD1      LEU   2 -21.131  -3.533   0.709
   14   3HD1  LEU   2          3HD1      LEU   2 -22.567  -3.395   1.474
   15   1HD2  LEU   2          1HD2      LEU   2 -21.929  -5.785  -1.112
   16   2HD2  LEU   2          2HD2      LEU   2 -21.515  -7.051  -0.167
   17   3HD2  LEU   2          3HD2      LEU   2 -20.495  -5.785  -0.330
   18    H    TYR   3           H        TYR   3 -19.875  -8.987   3.036
   19    HA   TYR   3           HA       TYR   3 -18.792  -8.131   5.610
   20   1HB   TYR   3          1HB       TYR   3 -18.737 -10.277   6.479
   21   2HB   TYR   3          2HB       TYR   3 -20.279  -9.874   6.124
   22    HD1  TYR   3           HD1      TYR   3 -17.576 -12.041   5.179
   23    HD2  TYR   3           HD2      TYR   3 -21.597 -11.218   4.576
   24    HE1  TYR   3           HE1      TYR   3 -17.813 -14.088   3.973
   25    HE2  TYR   3           HE2      TYR   3 -21.831 -13.273   3.372
   26    HH   TYR   3           HH       TYR   3 -20.905 -15.130   2.572
   27    H    GLU   4           H        GLU   4 -16.583  -8.091   5.878
   28    HA   GLU   4           HA       GLU   4 -15.001  -8.793   3.541
   29   1HB   GLU   4          1HB       GLU   4 -13.322  -7.462   4.401
   30   2HB   GLU   4          2HB       GLU   4 -14.725  -6.628   4.348
   31   1HG   GLU   4          1HG       GLU   4 -14.910  -6.763   6.702
   32   2HG   GLU   4          2HG       GLU   4 -13.531  -7.637   6.771
   33    H    ASN   5           H        ASN   5 -14.998 -10.991   3.410
   34    HA   ASN   5           HA       ASN   5 -12.992 -12.233   5.103
   35   1HB   ASN   5          1HB       ASN   5 -15.609 -13.371   4.828
   36   2HB   ASN   5          2HB       ASN   5 -14.318 -14.255   5.294
   37   1HD2  ASN   5          1HD2      ASN   5 -13.492 -14.099   7.458
   38   2HD2  ASN   5          2HD2      ASN   5 -14.403 -13.256   8.665
   39    H    LYS   6           H        LYS   6 -11.416 -13.048   3.738
   40    HA   LYS   6           HA       LYS   6 -12.069 -13.707   0.996
   41   1HB   LYS   6          1HB       LYS   6  -9.548 -13.515   2.389
   42   2HB   LYS   6          2HB       LYS   6  -9.636 -14.028   0.841
   43   1HG   LYS   6          1HG       LYS   6  -8.982 -11.915   0.549
   44   2HG   LYS   6          2HG       LYS   6 -10.601 -11.756   0.397
   45   1HD   LYS   6          1HD       LYS   6 -10.760 -10.887   2.572
   46   2HD   LYS   6          2HD       LYS   6  -9.167 -11.147   2.822
   47   1HE   LYS   6          1HE       LYS   6  -9.277  -8.903   2.460
   48   2HE   LYS   6          2HE       LYS   6  -8.795  -9.485   1.011
   49   1HZ   LYS   6          1HZ       LYS   6 -10.498  -7.896   0.728
   50   2HZ   LYS   6          2HZ       LYS   6 -11.488  -8.784   1.675
   51   3HZ   LYS   6          3HZ       LYS   6 -11.006  -9.365   0.228
   52    HA   PRO   7           HA       PRO   7 -12.304 -18.095   2.201
   53   1HB   PRO   7          1HB       PRO   7 -13.090 -19.170  -0.098
   54   2HB   PRO   7          2HB       PRO   7 -14.161 -18.314   0.789
   55   1HG   PRO   7          1HG       PRO   7 -12.683 -17.408  -1.519
   56   2HG   PRO   7          2HG       PRO   7 -14.260 -17.144  -1.187
   57   1HD   PRO   7          1HD       PRO   7 -12.453 -15.299  -0.681
   58   2HD   PRO   7          2HD       PRO   7 -13.792 -15.430   0.244
   59    H    ARG   8           H        ARG   8 -11.054 -19.750   2.571
   60    HA   ARG   8           HA       ARG   8  -8.521 -19.801   1.179
   61   1HB   ARG   8          1HB       ARG   8  -9.430 -21.196   3.539
   62   2HB   ARG   8          2HB       ARG   8  -7.969 -21.497   2.873
   63   1HG   ARG   8          1HG       ARG   8  -7.280 -19.272   3.382
   64   2HG   ARG   8          2HG       ARG   8  -8.740 -18.974   4.051
   65   1HD   ARG   8          1HD       ARG   8  -8.287 -20.578   5.764
   66   2HD   ARG   8          2HD       ARG   8  -6.832 -20.891   5.090
   67    HE   ARG   8           HE       ARG   8  -6.969 -18.150   5.587
   68   1HH1  ARG   8          1HH1      ARG   8  -6.566 -21.128   7.474
   69   2HH1  ARG   8          2HH1      ARG   8  -5.771 -20.282   8.759
   70   1HH2  ARG   8          1HH2      ARG   8  -5.964 -17.190   7.269
   71   2HH2  ARG   8          2HH2      ARG   8  -5.439 -18.103   8.643
   72    H    ARG   9           H        ARG   9  -8.135 -20.957  -0.635
   73    HA   ARG   9           HA       ARG   9  -9.392 -23.613  -0.991
   74   1HB   ARG   9          1HB       ARG   9 -10.483 -21.886  -2.318
   75   2HB   ARG   9          2HB       ARG   9  -9.062 -21.671  -3.094
   76   1HG   ARG   9          1HG       ARG   9  -9.205 -23.907  -3.939
   77   2HG   ARG   9          2HG       ARG   9 -10.649 -24.083  -3.196
   78   1HD   ARG   9          1HD       ARG   9 -11.553 -22.346  -4.597
   79   2HD   ARG   9          2HD       ARG   9 -10.118 -22.249  -5.372
   80    HE   ARG   9           HE       ARG   9 -11.983 -24.475  -5.544
   81   1HH1  ARG   9          1HH1      ARG   9  -9.059 -22.991  -6.902
   82   2HH1  ARG   9          2HH1      ARG   9  -9.066 -24.074  -8.253
   83   1HH2  ARG   9          1HH2      ARG   9 -11.885 -25.779  -7.280
   84   2HH2  ARG   9          2HH2      ARG   9 -10.628 -25.615  -8.460
   85    HA   PRO  10           HA       PRO  10  -4.862 -24.260  -1.416
   86   1HB   PRO  10          1HB       PRO  10  -4.727 -26.806  -0.768
   87   2HB   PRO  10          2HB       PRO  10  -4.927 -25.697   0.414
   88   1HG   PRO  10          1HG       PRO  10  -6.948 -27.377  -0.771
   89   2HG   PRO  10          2HG       PRO  10  -6.768 -27.005   0.809
   90   1HD   PRO  10          1HD       PRO  10  -8.531 -25.747  -0.711
   91   2HD   PRO  10          2HD       PRO  10  -7.851 -25.020   0.584
   92    H    TYR  11           H        TYR  11  -3.900 -24.073  -3.261
   93    HA   TYR  11           HA       TYR  11  -5.057 -25.361  -5.546
   94   1HB   TYR  11          1HB       TYR  11  -4.125 -23.062  -5.504
   95   2HB   TYR  11          2HB       TYR  11  -2.643 -23.748  -5.506
   96    HD1  TYR  11           HD1      TYR  11  -1.716 -24.739  -7.557
   97    HD2  TYR  11           HD2      TYR  11  -5.495 -23.024  -7.559
   98    HE1  TYR  11           HE1      TYR  11  -1.775 -24.865  -9.944
   99    HE2  TYR  11           HE2      TYR  11  -5.539 -23.128  -9.948
  100    HH   TYR  11           HH       TYR  11  -4.562 -23.694 -11.836
  101    H    ILE  12           H        ILE  12  -2.028 -26.101  -3.909
  102    HA   ILE  12           HA       ILE  12  -1.444 -28.081  -5.805
  103    HB   ILE  12           HB       ILE  12   0.343 -28.791  -4.354
  104   1HG1  ILE  12          1HG1      ILE  12  -0.036 -26.635  -2.530
  105   2HG1  ILE  12          2HG1      ILE  12  -0.745 -28.080  -2.254
  106   1HG2  ILE  12          1HG2      ILE  12   1.740 -26.817  -4.591
  107   2HG2  ILE  12          2HG2      ILE  12   0.403 -25.956  -4.961
  108   3HG2  ILE  12          3HG2      ILE  12   0.907 -27.149  -5.955
  109   1HD1  ILE  12          1HD1      ILE  12   1.291 -27.925  -1.036
  110   2HD1  ILE  12          2HD1      ILE  12   2.112 -27.670  -2.425
  111   3HD1  ILE  12          3HD1      ILE  12   1.402 -29.115  -2.149
  112    H    LEU  13           H        LEU  13  -3.605 -28.472  -3.249
  113    HA   LEU  13           HA       LEU  13  -3.932 -31.282  -3.959
  114   1HB   LEU  13          1HB       LEU  13  -2.546 -31.208  -1.973
  115   2HB   LEU  13          2HB       LEU  13  -3.803 -30.518  -1.192
  116    HG   LEU  13           HG       LEU  13  -5.052 -32.568  -1.756
  117   1HD1  LEU  13          1HD1      LEU  13  -3.769 -34.567  -2.061
  118   2HD1  LEU  13          2HD1      LEU  13  -2.411 -33.667  -2.167
  119   3HD1  LEU  13          3HD1      LEU  13  -3.565 -33.542  -3.316
  120   1HD2  LEU  13          1HD2      LEU  13  -4.229 -33.730   0.198
  121   2HD2  LEU  13          2HD2      LEU  13  -4.377 -32.131   0.495
  122   3HD2  LEU  13          3HD2      LEU  13  -2.906 -32.772   0.190
  123    HXT  LEU  13           HXT      LEU  13  -7.016 -29.339  -2.486
  Start of MODEL    9
    1    HN   PCA   1           HN       PCA   1 -25.172  -5.208  12.613
    2    HA   PCA   1           HA       PCA   1 -25.119  -7.787  12.102
    3   1HB   PCA   1          1HB       PCA   1 -25.803  -6.938   9.423
    4   2HB   PCA   1          2HB       PCA   1 -26.333  -8.283  10.184
    5   1HG   PCA   1          1HG       PCA   1 -27.901  -6.168   9.899
    6   2HG   PCA   1          2HG       PCA   1 -28.072  -7.176  11.173
    7    H    LEU   2           H        LEU   2 -23.235  -8.766  11.376
    8    HA   LEU   2           HA       LEU   2 -21.200  -7.463  10.387
    9   1HB   LEU   2          1HB       LEU   2 -20.806  -7.737  13.216
   10   2HB   LEU   2          2HB       LEU   2 -19.564  -7.607  12.164
   11    HG   LEU   2           HG       LEU   2 -21.512  -5.530  12.415
   12   1HD1  LEU   2          1HD1      LEU   2 -20.017  -4.376  13.933
   13   2HD1  LEU   2          2HD1      LEU   2 -19.038  -5.682  13.935
   14   3HD1  LEU   2          3HD1      LEU   2 -20.532  -5.781  14.586
   15   1HD2  LEU   2          1HD2      LEU   2 -19.826  -4.089  11.512
   16   2HD2  LEU   2          2HD2      LEU   2 -20.165  -5.313  10.486
   17   3HD2  LEU   2          3HD2      LEU   2 -18.812  -5.364  11.399
   18    H    TYR   3           H        TYR   3 -20.700  -9.177   9.050
   19    HA   TYR   3           HA       TYR   3 -20.080 -11.767  10.262
   20   1HB   TYR   3          1HB       TYR   3 -21.217 -12.996   8.698
   21   2HB   TYR   3          2HB       TYR   3 -22.264 -12.012   9.475
   22    HD1  TYR   3           HD1      TYR   3 -20.826 -12.764   6.285
   23    HD2  TYR   3           HD2      TYR   3 -23.506 -10.282   8.257
   24    HE1  TYR   3           HE1      TYR   3 -21.612 -11.940   4.184
   25    HE2  TYR   3           HE2      TYR   3 -24.302  -9.475   6.151
   26    HH   TYR   3           HH       TYR   3 -24.186  -9.482   3.954
   27    H    GLU   4           H        GLU   4 -17.980 -12.317   9.898
   28    HA   GLU   4           HA       GLU   4 -16.645 -11.266   7.543
   29   1HB   GLU   4          1HB       GLU   4 -15.601 -12.584   9.873
   30   2HB   GLU   4          2HB       GLU   4 -14.662 -12.272   8.573
   31   1HG   GLU   4          1HG       GLU   4 -15.011  -9.924   8.914
   32   2HG   GLU   4          2HG       GLU   4 -15.890 -10.264  10.248
   33    H    ASN   5           H        ASN   5 -16.767 -12.318   5.627
   34    HA   ASN   5           HA       ASN   5 -16.482 -15.255   5.568
   35   1HB   ASN   5          1HB       ASN   5 -18.802 -14.554   5.288
   36   2HB   ASN   5          2HB       ASN   5 -18.337 -13.835   3.897
   37   1HD2  ASN   5          1HD2      ASN   5 -19.063 -16.853   5.404
   38   2HD2  ASN   5          2HD2      ASN   5 -18.990 -17.806   3.960
   39    H    LYS   6           H        LYS   6 -14.532 -15.721   4.749
   40    HA   LYS   6           HA       LYS   6 -13.704 -14.412   2.269
   41   1HB   LYS   6          1HB       LYS   6 -12.013 -14.689   4.585
   42   2HB   LYS   6          2HB       LYS   6 -11.423 -14.367   3.096
   43   1HG   LYS   6          1HG       LYS   6 -13.197 -12.536   4.410
   44   2HG   LYS   6          2HG       LYS   6 -11.584 -12.476   4.661
   45   1HD   LYS   6          1HD       LYS   6 -12.690 -12.151   2.035
   46   2HD   LYS   6          2HD       LYS   6 -12.509 -10.875   3.039
   47   1HE   LYS   6          1HE       LYS   6 -10.244 -12.448   2.230
   48   2HE   LYS   6          2HE       LYS   6 -10.756 -11.182   1.333
   49   1HZ   LYS   6          1HZ       LYS   6  -8.997 -10.531   2.737
   50   2HZ   LYS   6          2HZ       LYS   6  -9.856 -11.007   4.042
   51   3HZ   LYS   6          3HZ       LYS   6 -10.367  -9.741   3.146
   52    HA   PRO   7           HA       PRO   7 -13.158 -18.958   1.721
   53   1HB   PRO   7          1HB       PRO   7 -13.119 -19.103  -0.926
   54   2HB   PRO   7          2HB       PRO   7 -14.544 -18.859  -0.164
   55   1HG   PRO   7          1HG       PRO   7 -12.882 -16.874  -1.443
   56   2HG   PRO   7          2HG       PRO   7 -14.507 -17.014  -1.536
   57   1HD   PRO   7          1HD       PRO   7 -13.396 -15.285   0.110
   58   2HD   PRO   7          2HD       PRO   7 -14.829 -15.981   0.471
   59    H    ARG   8           H        ARG   8 -11.637 -20.410   1.792
   60    HA   ARG   8           HA       ARG   8  -9.005 -19.705   0.719
   61   1HB   ARG   8          1HB       ARG   8  -9.492 -20.546   3.422
   62   2HB   ARG   8          2HB       ARG   8  -8.018 -20.681   2.731
   63   1HG   ARG   8          1HG       ARG   8  -7.888 -18.312   2.536
   64   2HG   ARG   8          2HG       ARG   8  -9.367 -18.172   3.216
   65   1HD   ARG   8          1HD       ARG   8  -8.498 -19.076   5.260
   66   2HD   ARG   8          2HD       ARG   8  -7.017 -19.171   4.578
   67    HE   ARG   8           HE       ARG   8  -8.389 -16.694   5.263
   68   1HH1  ARG   8          1HH1      ARG   8  -5.293 -18.199   4.391
   69   2HH1  ARG   8          2HH1      ARG   8  -4.422 -16.744   4.738
   70   1HH2  ARG   8          1HH2      ARG   8  -7.183 -14.930   5.672
   71   2HH2  ARG   8          2HH2      ARG   8  -5.466 -14.941   5.445
   72    H    ARG   9           H        ARG   9  -8.559 -21.194  -0.867
   73    HA   ARG   9           HA       ARG   9  -8.966 -24.067  -0.335
   74   1HB   ARG   9          1HB       ARG   9 -10.796 -23.141  -1.682
   75   2HB   ARG   9          2HB       ARG   9  -9.686 -22.857  -2.846
   76   1HG   ARG   9          1HG       ARG   9  -9.290 -25.208  -3.022
   77   2HG   ARG   9          2HG       ARG   9 -10.433 -25.476  -1.887
   78   1HD   ARG   9          1HD       ARG   9 -11.536 -25.925  -3.829
   79   2HD   ARG   9          2HD       ARG   9 -12.008 -24.397  -3.498
   80    HE   ARG   9           HE       ARG   9  -9.729 -24.274  -5.105
   81   1HH1  ARG   9          1HH1      ARG   9 -13.194 -24.949  -5.462
   82   2HH1  ARG   9          2HH1      ARG   9 -13.156 -24.581  -7.154
   83   1HH2  ARG   9          1HH2      ARG   9  -9.796 -23.878  -7.256
   84   2HH2  ARG   9          2HH2      ARG   9 -11.280 -23.990  -8.143
   85    HA   PRO  10           HA       PRO  10  -4.663 -23.512  -1.792
   86   1HB   PRO  10          1HB       PRO  10  -3.596 -25.774  -0.913
   87   2HB   PRO  10          2HB       PRO  10  -3.888 -24.561   0.141
   88   1HG   PRO  10          1HG       PRO  10  -5.479 -26.923  -0.297
   89   2HG   PRO  10          2HG       PRO  10  -5.121 -26.218   1.132
   90   1HD   PRO  10          1HD       PRO  10  -7.448 -25.818  -0.054
   91   2HD   PRO  10          2HD       PRO  10  -6.790 -24.691   0.928
   92    H    TYR  11           H        TYR  11  -3.343 -23.877  -3.453
   93    HA   TYR  11           HA       TYR  11  -4.716 -25.068  -5.625
   94   1HB   TYR  11          1HB       TYR  11  -2.140 -23.707  -5.464
   95   2HB   TYR  11          2HB       TYR  11  -2.697 -24.263  -6.895
   96    HD1  TYR  11           HD1      TYR  11  -4.564 -23.123  -8.048
   97    HD2  TYR  11           HD2      TYR  11  -3.022 -21.639  -4.491
   98    HE1  TYR  11           HE1      TYR  11  -5.741 -21.072  -8.390
   99    HE2  TYR  11           HE2      TYR  11  -4.219 -19.599  -4.826
  100    HH   TYR  11           HH       TYR  11  -5.577 -18.374  -6.076
  101    H    ILE  12           H        ILE  12  -1.971 -26.277  -3.888
  102    HA   ILE  12           HA       ILE  12  -1.588 -28.484  -5.583
  103    HB   ILE  12           HB       ILE  12  -0.301 -29.410  -3.706
  104   1HG1  ILE  12          1HG1      ILE  12  -0.623 -26.935  -2.310
  105   2HG1  ILE  12          2HG1      ILE  12  -1.464 -28.283  -1.932
  106   1HG2  ILE  12          1HG2      ILE  12   1.548 -27.853  -3.936
  107   2HG2  ILE  12          2HG2      ILE  12   0.530 -26.786  -4.637
  108   3HG2  ILE  12          3HG2      ILE  12   0.871 -28.199  -5.381
  109   1HD1  ILE  12          1HD1      ILE  12   0.348 -28.003  -0.430
  110   2HD1  ILE  12          2HD1      ILE  12   1.400 -28.021  -1.678
  111   3HD1  ILE  12          3HD1      ILE  12   0.559 -29.369  -1.300
  112    H    LEU  13           H        LEU  13  -4.031 -28.249  -3.158
  113    HA   LEU  13           HA       LEU  13  -5.286 -30.521  -4.362
  114   1HB   LEU  13          1HB       LEU  13  -3.945 -31.597  -2.682
  115   2HB   LEU  13          2HB       LEU  13  -4.827 -30.814  -1.552
  116    HG   LEU  13           HG       LEU  13  -6.777 -31.968  -2.515
  117   1HD1  LEU  13          1HD1      LEU  13  -6.378 -34.055  -3.617
  118   2HD1  LEU  13          2HD1      LEU  13  -4.782 -33.717  -3.657
  119   3HD1  LEU  13          3HD1      LEU  13  -5.831 -32.805  -4.513
  120   1HD2  LEU  13          1HD2      LEU  13  -6.406 -33.943  -1.168
  121   2HD2  LEU  13          2HD2      LEU  13  -5.917 -32.602  -0.375
  122   3HD2  LEU  13          3HD2      LEU  13  -4.817 -33.573  -1.091
  123    HXT  LEU  13           HXT      LEU  13  -8.074 -28.605  -3.577
  Start of MODEL   10
    1    HN   PCA   1           HN       PCA   1 -15.137 -14.632  22.546
    2    HA   PCA   1           HA       PCA   1 -14.943 -16.832  21.388
    3   1HB   PCA   1          1HB       PCA   1 -17.078 -16.877  19.756
    4   2HB   PCA   1          2HB       PCA   1 -17.185 -17.466  21.276
    5   1HG   PCA   1          1HG       PCA   1 -18.203 -14.979  20.296
    6   2HG   PCA   1          2HG       PCA   1 -18.759 -15.856  21.557
    7    H    LEU   2           H        LEU   2 -14.350 -17.408  19.134
    8    HA   LEU   2           HA       LEU   2 -12.942 -15.333  17.839
    9   1HB   LEU   2          1HB       LEU   2 -11.343 -16.677  19.134
   10   2HB   LEU   2          2HB       LEU   2 -11.821 -17.961  18.245
   11    HG   LEU   2           HG       LEU   2 -11.045 -16.706  16.295
   12   1HD1  LEU   2          1HD1      LEU   2  -9.331 -15.063  16.645
   13   2HD1  LEU   2          2HD1      LEU   2  -9.615 -15.127  18.251
   14   3HD1  LEU   2          3HD1      LEU   2 -10.764 -14.555  17.241
   15   1HD2  LEU   2          1HD2      LEU   2  -8.750 -17.429  16.581
   16   2HD2  LEU   2          2HD2      LEU   2  -9.789 -18.577  17.097
   17   3HD2  LEU   2          3HD2      LEU   2  -9.028 -17.620  18.179
   18    H    TYR   3           H        TYR   3 -14.344 -14.978  16.185
   19    HA   TYR   3           HA       TYR   3 -15.132 -17.293  14.557
   20   1HB   TYR   3          1HB       TYR   3 -16.972 -16.634  15.988
   21   2HB   TYR   3          2HB       TYR   3 -16.971 -15.181  15.241
   22    HD1  TYR   3           HD1      TYR   3 -17.861 -14.948  12.943
   23    HD2  TYR   3           HD2      TYR   3 -17.914 -18.617  14.881
   24    HE1  TYR   3           HE1      TYR   3 -19.325 -15.815  11.264
   25    HE2  TYR   3           HE2      TYR   3 -19.396 -19.472  13.212
   26    HH   TYR   3           HH       TYR   3 -20.548 -19.166  11.366
   27    H    GLU   4           H        GLU   4 -13.949 -17.102  12.719
   28    HA   GLU   4           HA       GLU   4 -14.097 -14.569  11.278
   29   1HB   GLU   4          1HB       GLU   4 -11.657 -15.995  11.749
   30   2HB   GLU   4          2HB       GLU   4 -11.803 -14.914  10.534
   31   1HG   GLU   4          1HG       GLU   4 -10.784 -13.666  12.078
   32   2HG   GLU   4          2HG       GLU   4 -12.347 -13.292  12.373
   33    H    ASN   5           H        ASN   5 -15.233 -14.962   9.395
   34    HA   ASN   5           HA       ASN   5 -14.878 -17.540   7.996
   35   1HB   ASN   5          1HB       ASN   5 -17.101 -16.891   8.802
   36   2HB   ASN   5          2HB       ASN   5 -17.061 -15.689   7.697
   37   1HD2  ASN   5          1HD2      ASN   5 -17.429 -16.128   5.456
   38   2HD2  ASN   5          2HD2      ASN   5 -17.960 -17.699   4.957
   39    H    LYS   6           H        LYS   6 -13.310 -17.554   6.531
   40    HA   LYS   6           HA       LYS   6 -13.290 -15.488   4.471
   41   1HB   LYS   6          1HB       LYS   6 -10.961 -16.207   6.005
   42   2HB   LYS   6          2HB       LYS   6 -10.855 -15.448   4.563
   43   1HG   LYS   6          1HG       LYS   6 -12.190 -14.185   6.763
   44   2HG   LYS   6          2HG       LYS   6 -10.568 -14.074   6.604
   45   1HD   LYS   6          1HD       LYS   6 -10.890 -13.015   4.468
   46   2HD   LYS   6          2HD       LYS   6 -12.503 -13.048   4.725
   47   1HE   LYS   6          1HE       LYS   6 -10.785 -11.622   6.537
   48   2HE   LYS   6          2HE       LYS   6 -11.330 -10.898   5.178
   49   1HZ   LYS   6          1HZ       LYS   6 -12.715 -10.371   6.996
   50   2HZ   LYS   6          2HZ       LYS   6 -12.999 -11.960   7.244
   51   3HZ   LYS   6          3HZ       LYS   6 -13.544 -11.236   5.886
   52    HA   PRO   7           HA       PRO   7 -12.832 -19.609   2.436
   53   1HB   PRO   7          1HB       PRO   7 -13.630 -19.017  -0.007
   54   2HB   PRO   7          2HB       PRO   7 -14.742 -19.150   1.182
   55   1HG   PRO   7          1HG       PRO   7 -13.623 -16.722   0.096
   56   2HG   PRO   7          2HG       PRO   7 -15.185 -17.010   0.476
   57   1HD   PRO   7          1HD       PRO   7 -13.607 -15.679   2.119
   58   2HD   PRO   7          2HD       PRO   7 -14.849 -16.576   2.685
   59    H    ARG   8           H        ARG   8 -11.024 -20.569   2.262
   60    HA   ARG   8           HA       ARG   8  -9.003 -19.534   0.368
   61   1HB   ARG   8          1HB       ARG   8  -8.510 -18.943   2.690
   62   2HB   ARG   8          2HB       ARG   8  -8.324 -20.542   2.967
   63   1HG   ARG   8          1HG       ARG   8  -6.493 -20.587   1.435
   64   2HG   ARG   8          2HG       ARG   8  -6.674 -18.985   1.178
   65   1HD   ARG   8          1HD       ARG   8  -6.081 -18.560   3.463
   66   2HD   ARG   8          2HD       ARG   8  -5.878 -20.163   3.702
   67    HE   ARG   8           HE       ARG   8  -4.266 -19.527   1.563
   68   1HH1  ARG   8          1HH1      ARG   8  -4.284 -18.690   5.011
   69   2HH1  ARG   8          2HH1      ARG   8  -2.573 -18.424   5.020
   70   1HH2  ARG   8          1HH2      ARG   8  -2.116 -19.170   1.697
   71   2HH2  ARG   8          2HH2      ARG   8  -1.376 -18.690   3.188
   72    H    ARG   9           H        ARG   9  -9.306 -20.958  -1.332
   73    HA   ARG   9           HA       ARG   9  -9.490 -23.796  -0.810
   74   1HB   ARG   9          1HB       ARG   9  -9.516 -22.303  -3.286
   75   2HB   ARG   9          2HB       ARG   9  -9.617 -23.933  -3.245
   76   1HG   ARG   9          1HG       ARG   9 -11.649 -22.324  -2.025
   77   2HG   ARG   9          2HG       ARG   9 -11.707 -22.662  -3.622
   78   1HD   ARG   9          1HD       ARG   9 -11.747 -24.737  -1.627
   79   2HD   ARG   9          2HD       ARG   9 -13.119 -24.073  -2.216
   80    HE   ARG   9           HE       ARG   9 -11.354 -25.878  -3.634
   81   1HH1  ARG   9          1HH1      ARG   9 -14.309 -23.916  -3.887
   82   2HH1  ARG   9          2HH1      ARG   9 -14.842 -24.787  -5.286
   83   1HH2  ARG   9          1HH2      ARG   9 -12.156 -26.921  -5.387
   84   2HH2  ARG   9          2HH2      ARG   9 -13.655 -26.441  -6.111
   85    HA   PRO  10           HA       PRO  10  -4.934 -24.124  -1.333
   86   1HB   PRO  10          1HB       PRO  10  -4.584 -26.627  -0.598
   87   2HB   PRO  10          2HB       PRO  10  -4.890 -25.502   0.545
   88   1HG   PRO  10          1HG       PRO  10  -6.750 -27.387  -0.599
   89   2HG   PRO  10          2HG       PRO  10  -6.613 -26.956   0.971
   90   1HD   PRO  10          1HD       PRO  10  -8.467 -25.897  -0.590
   91   2HD   PRO  10          2HD       PRO  10  -7.856 -25.074   0.682
   92    H    TYR  11           H        TYR  11  -3.914 -23.971  -3.154
   93    HA   TYR  11           HA       TYR  11  -5.022 -25.344  -5.374
   94   1HB   TYR  11          1HB       TYR  11  -2.955 -23.328  -5.083
   95   2HB   TYR  11          2HB       TYR  11  -3.059 -24.084  -6.526
   96    HD1  TYR  11           HD1      TYR  11  -4.975 -23.691  -8.021
   97    HD2  TYR  11           HD2      TYR  11  -4.632 -21.649  -4.421
   98    HE1  TYR  11           HE1      TYR  11  -6.681 -22.170  -8.718
   99    HE2  TYR  11           HE2      TYR  11  -6.348 -20.140  -5.120
  100    HH   TYR  11           HH       TYR  11  -7.788 -19.485  -6.652
  101    H    ILE  12           H        ILE  12  -2.284 -26.253  -3.544
  102    HA   ILE  12           HA       ILE  12  -1.263 -28.075  -5.509
  103    HB   ILE  12           HB       ILE  12  -0.705 -28.056  -2.732
  104   1HG1  ILE  12          1HG1      ILE  12   1.176 -26.812  -4.531
  105   2HG1  ILE  12          2HG1      ILE  12  -0.058 -25.937  -3.916
  106   1HG2  ILE  12          1HG2      ILE  12   1.425 -29.158  -3.340
  107   2HG2  ILE  12          2HG2      ILE  12   0.923 -29.182  -4.893
  108   3HG2  ILE  12          3HG2      ILE  12   0.138 -30.067  -3.768
  109   1HD1  ILE  12          1HD1      ILE  12   1.923 -25.548  -2.663
  110   2HD1  ILE  12          2HD1      ILE  12   2.037 -27.143  -2.332
  111   3HD1  ILE  12          3HD1      ILE  12   0.803 -26.268  -1.717
  112    H    LEU  13           H        LEU  13  -3.822 -28.553  -3.154
  113    HA   LEU  13           HA       LEU  13  -4.577 -30.900  -4.664
  114   1HB   LEU  13          1HB       LEU  13  -4.390 -30.975  -1.794
  115   2HB   LEU  13          2HB       LEU  13  -5.234 -32.081  -2.650
  116    HG   LEU  13           HG       LEU  13  -2.402 -31.776  -2.930
  117   1HD1  LEU  13          1HD1      LEU  13  -2.150 -33.681  -1.456
  118   2HD1  LEU  13          2HD1      LEU  13  -3.762 -33.671  -1.195
  119   3HD1  LEU  13          3HD1      LEU  13  -2.842 -32.430  -0.668
  120   1HD2  LEU  13          1HD2      LEU  13  -2.422 -33.963  -3.882
  121   2HD2  LEU  13          2HD2      LEU  13  -3.347 -32.935  -4.750
  122   3HD2  LEU  13          3HD2      LEU  13  -4.047 -34.004  -3.734
  123    HXT  LEU  13           HXT      LEU  13  -7.751 -29.480  -4.422
  Start of MODEL   11
    1    HN   PCA   1           HN       PCA   1 -24.496  -3.049   2.253
    2    HA   PCA   1           HA       PCA   1 -24.295  -3.974   4.560
    3   1HB   PCA   1          1HB       PCA   1 -24.412  -6.635   4.184
    4   2HB   PCA   1          2HB       PCA   1 -25.773  -5.773   4.449
    5   1HG   PCA   1          1HG       PCA   1 -24.846  -6.839   1.963
    6   2HG   PCA   1          2HG       PCA   1 -26.387  -6.513   2.393
    7    H    LEU   2           H        LEU   2 -22.505  -5.102   5.676
    8    HA   LEU   2           HA       LEU   2 -20.071  -4.657   4.377
    9   1HB   LEU   2          1HB       LEU   2 -18.980  -3.868   6.192
   10   2HB   LEU   2          2HB       LEU   2 -20.220  -2.855   5.870
   11    HG   LEU   2           HG       LEU   2 -20.358  -4.716   8.015
   12   1HD1  LEU   2          1HD1      LEU   2 -19.610  -2.925   9.507
   13   2HD1  LEU   2          2HD1      LEU   2 -19.350  -1.980   8.202
   14   3HD1  LEU   2          3HD1      LEU   2 -18.438  -3.314   8.438
   15   1HD2  LEU   2          1HD2      LEU   2 -21.956  -3.234   8.998
   16   2HD2  LEU   2          2HD2      LEU   2 -22.453  -3.759   7.534
   17   3HD2  LEU   2          3HD2      LEU   2 -21.832  -2.257   7.695
   18    H    TYR   3           H        TYR   3 -19.502  -6.630   3.757
   19    HA   TYR   3           HA       TYR   3 -19.425  -8.764   5.785
   20   1HB   TYR   3          1HB       TYR   3 -21.316  -9.024   4.256
   21   2HB   TYR   3          2HB       TYR   3 -20.226  -9.226   3.056
   22    HD1  TYR   3           HD1      TYR   3 -18.953 -11.329   2.853
   23    HD2  TYR   3           HD2      TYR   3 -21.724 -10.808   5.899
   24    HE1  TYR   3           HE1      TYR   3 -18.864 -13.670   3.338
   25    HE2  TYR   3           HE2      TYR   3 -21.651 -13.152   6.362
   26    HH   TYR   3           HH       TYR   3 -20.849 -15.145   5.912
   27    H    GLU   4           H        GLU   4 -17.329  -9.307   6.217
   28    HA   GLU   4           HA       GLU   4 -15.300  -8.891   4.183
   29   1HB   GLU   4          1HB       GLU   4 -13.728  -9.203   5.808
   30   2HB   GLU   4          2HB       GLU   4 -14.836  -8.119   6.324
   31   1HG   GLU   4          1HG       GLU   4 -15.721  -9.729   7.821
   32   2HG   GLU   4          2HG       GLU   4 -14.630 -10.824   7.296
   33    H    ASN   5           H        ASN   5 -15.585 -10.203   2.477
   34    HA   ASN   5           HA       ASN   5 -15.485 -13.098   2.894
   35   1HB   ASN   5          1HB       ASN   5 -17.111 -12.032   1.389
   36   2HB   ASN   5          2HB       ASN   5 -15.853 -11.678   0.409
   37   1HD2  ASN   5          1HD2      ASN   5 -17.975 -14.183   1.481
   38   2HD2  ASN   5          2HD2      ASN   5 -17.450 -15.374   0.339
   39    H    LYS   6           H        LYS   6 -13.651 -14.198   3.047
   40    HA   LYS   6           HA       LYS   6 -11.298 -13.387   1.441
   41   1HB   LYS   6          1HB       LYS   6 -11.129 -12.701   3.767
   42   2HB   LYS   6          2HB       LYS   6 -11.215 -14.279   4.179
   43   1HG   LYS   6          1HG       LYS   6  -9.010 -13.845   4.331
   44   2HG   LYS   6          2HG       LYS   6  -9.137 -14.555   2.866
   45   1HD   LYS   6          1HD       LYS   6  -7.708 -12.840   2.500
   46   2HD   LYS   6          2HD       LYS   6  -9.132 -12.281   1.929
   47   1HE   LYS   6          1HE       LYS   6  -8.213 -10.493   3.022
   48   2HE   LYS   6          2HE       LYS   6  -9.343 -11.056   4.060
   49   1HZ   LYS   6          1HZ       LYS   6  -7.342 -10.596   5.201
   50   2HZ   LYS   6          2HZ       LYS   6  -6.543 -11.631   4.225
   51   3HZ   LYS   6          3HZ       LYS   6  -7.671 -12.194   5.262
   52    HA   PRO   7           HA       PRO   7 -12.143 -17.755   0.403
   53   1HB   PRO   7          1HB       PRO   7 -10.979 -17.880  -1.975
   54   2HB   PRO   7          2HB       PRO   7 -12.434 -17.151  -1.834
   55   1HG   PRO   7          1HG       PRO   7  -9.846 -15.878  -1.968
   56   2HG   PRO   7          2HG       PRO   7 -11.213 -15.426  -2.739
   57   1HD   PRO   7          1HD       PRO   7 -10.463 -14.223  -0.523
   58   2HD   PRO   7          2HD       PRO   7 -12.047 -14.376  -0.891
   59    H    ARG   8           H        ARG   8 -11.391 -19.572   1.069
   60    HA   ARG   8           HA       ARG   8  -8.455 -19.930   1.296
   61   1HB   ARG   8          1HB       ARG   8  -9.521 -19.341   3.401
   62   2HB   ARG   8          2HB       ARG   8 -10.344 -20.748   3.296
   63   1HG   ARG   8          1HG       ARG   8  -8.275 -21.944   3.408
   64   2HG   ARG   8          2HG       ARG   8  -7.481 -20.526   3.572
   65   1HD   ARG   8          1HD       ARG   8  -9.402 -21.357   5.545
   66   2HD   ARG   8          2HD       ARG   8  -7.845 -21.839   5.644
   67    HE   ARG   8           HE       ARG   8  -7.881 -19.063   5.395
   68   1HH1  ARG   8          1HH1      ARG   8  -8.564 -21.480   7.899
   69   2HH1  ARG   8          2HH1      ARG   8  -8.259 -20.343   9.169
   70   1HH2  ARG   8          1HH2      ARG   8  -7.527 -17.716   7.082
   71   2HH2  ARG   8          2HH2      ARG   8  -7.687 -18.265   8.716
   72    H    ARG   9           H        ARG   9  -8.153 -21.118  -0.587
   73    HA   ARG   9           HA       ARG   9  -9.237 -23.830  -0.548
   74   1HB   ARG   9          1HB       ARG   9  -9.833 -23.879  -2.760
   75   2HB   ARG   9          2HB       ARG   9 -10.707 -22.750  -1.968
   76   1HG   ARG   9          1HG       ARG   9  -9.491 -21.031  -3.040
   77   2HG   ARG   9          2HG       ARG   9  -8.564 -22.141  -3.798
   78   1HD   ARG   9          1HD       ARG   9 -10.474 -22.886  -5.033
   79   2HD   ARG   9          2HD       ARG   9 -11.395 -21.767  -4.280
   80    HE   ARG   9           HE       ARG   9  -9.277 -20.399  -5.427
   81   1HH1  ARG   9          1HH1      ARG   9 -12.139 -22.124  -6.621
   82   2HH1  ARG   9          2HH1      ARG   9 -12.167 -21.196  -8.083
   83   1HH2  ARG   9          1HH2      ARG   9  -9.413 -19.294  -7.308
   84   2HH2  ARG   9          2HH2      ARG   9 -10.661 -19.633  -8.461
   85    HA   PRO  10           HA       PRO  10  -4.743 -24.288  -1.299
   86   1HB   PRO  10          1HB       PRO  10  -5.177 -27.090  -0.843
   87   2HB   PRO  10          2HB       PRO  10  -4.117 -26.126  -0.060
   88   1HG   PRO  10          1HG       PRO  10  -6.219 -26.930   1.202
   89   2HG   PRO  10          2HG       PRO  10  -5.708 -25.397   1.437
   90   1HD   PRO  10          1HD       PRO  10  -7.858 -26.271  -0.300
   91   2HD   PRO  10          2HD       PRO  10  -7.877 -25.001   0.727
   92    H    TYR  11           H        TYR  11  -3.742 -24.103  -3.146
   93    HA   TYR  11           HA       TYR  11  -5.013 -25.224  -5.457
   94   1HB   TYR  11          1HB       TYR  11  -3.950 -22.974  -5.313
   95   2HB   TYR  11          2HB       TYR  11  -2.512 -23.742  -5.414
   96    HD1  TYR  11           HD1      TYR  11  -1.716 -24.649  -7.559
   97    HD2  TYR  11           HD2      TYR  11  -5.403 -22.759  -7.299
   98    HE1  TYR  11           HE1      TYR  11  -1.876 -24.624  -9.943
   99    HE2  TYR  11           HE2      TYR  11  -5.547 -22.719  -9.685
  100    HH   TYR  11           HH       TYR  11  -4.654 -23.215 -11.654
  101    H    ILE  12           H        ILE  12  -2.015 -26.155  -3.920
  102    HA   ILE  12           HA       ILE  12  -1.419 -28.153  -5.919
  103    HB   ILE  12           HB       ILE  12  -0.232 -27.594  -3.392
  104   1HG1  ILE  12          1HG1      ILE  12   1.183 -26.983  -5.844
  105   2HG1  ILE  12          2HG1      ILE  12   0.072 -25.923  -5.287
  106   1HG2  ILE  12          1HG2      ILE  12   1.745 -28.867  -4.062
  107   2HG2  ILE  12          2HG2      ILE  12   0.944 -29.336  -5.405
  108   3HG2  ILE  12          3HG2      ILE  12   0.422 -29.816  -3.935
  109   1HD1  ILE  12          1HD1      ILE  12   2.252 -25.228  -4.656
  110   2HD1  ILE  12          2HD1      ILE  12   2.489 -26.645  -3.880
  111   3HD1  ILE  12          3HD1      ILE  12   1.379 -25.585  -3.323
  112    H    LEU  13           H        LEU  13  -3.463 -28.436  -3.154
  113    HA   LEU  13           HA       LEU  13  -4.073 -31.134  -4.033
  114   1HB   LEU  13          1HB       LEU  13  -3.532 -30.480  -1.284
  115   2HB   LEU  13          2HB       LEU  13  -4.349 -31.829  -1.709
  116    HG   LEU  13           HG       LEU  13  -1.660 -31.392  -2.584
  117   1HD1  LEU  13          1HD1      LEU  13  -0.887 -32.737  -0.737
  118   2HD1  LEU  13          2HD1      LEU  13  -2.409 -32.774  -0.145
  119   3HD1  LEU  13          3HD1      LEU  13  -1.587 -31.364  -0.199
  120   1HD2  LEU  13          1HD2      LEU  13  -1.570 -33.762  -2.868
  121   2HD2  LEU  13          2HD2      LEU  13  -2.765 -33.109  -3.769
  122   3HD2  LEU  13          3HD2      LEU  13  -3.121 -33.872  -2.370
  123    HXT  LEU  13           HXT      LEU  13  -6.905 -29.041  -2.224
  Start of MODEL   12
    1    HN   PCA   1           HN       PCA   1 -22.190  -1.458   8.359
    2    HA   PCA   1           HA       PCA   1 -21.917  -3.431  10.078
    3   1HB   PCA   1          1HB       PCA   1 -23.387  -5.165   9.597
    4   2HB   PCA   1          2HB       PCA   1 -23.179  -4.982   7.987
    5   1HG   PCA   1          1HG       PCA   1 -25.235  -3.989   8.110
    6   2HG   PCA   1          2HG       PCA   1 -25.038  -3.582   9.680
    7    H    LEU   2           H        LEU   2 -20.108  -4.788  10.018
    8    HA   LEU   2           HA       LEU   2 -18.229  -4.242   8.003
    9   1HB   LEU   2          1HB       LEU   2 -17.616  -2.931   9.983
   10   2HB   LEU   2          2HB       LEU   2 -17.509  -4.342  10.798
   11    HG   LEU   2           HG       LEU   2 -15.769  -4.960   9.177
   12   1HD1  LEU   2          1HD1      LEU   2 -14.556  -3.176   8.134
   13   2HD1  LEU   2          2HD1      LEU   2 -15.690  -2.119   8.646
   14   3HD1  LEU   2          3HD1      LEU   2 -16.079  -3.266   7.551
   15   1HD2  LEU   2          1HD2      LEU   2 -14.041  -3.821  10.438
   16   2HD2  LEU   2          2HD2      LEU   2 -15.195  -4.402  11.437
   17   3HD2  LEU   2          3HD2      LEU   2 -15.172  -2.816  11.049
   18    H    TYR   3           H        TYR   3 -18.079  -6.091   6.901
   19    HA   TYR   3           HA       TYR   3 -17.901  -8.611   8.394
   20   1HB   TYR   3          1HB       TYR   3 -19.233  -9.748   6.915
   21   2HB   TYR   3          2HB       TYR   3 -20.081  -8.506   7.551
   22    HD1  TYR   3           HD1      TYR   3 -20.919  -6.691   6.122
   23    HD2  TYR   3           HD2      TYR   3 -18.772  -9.858   4.512
   24    HE1  TYR   3           HE1      TYR   3 -21.494  -5.966   3.916
   25    HE2  TYR   3           HE2      TYR   3 -19.331  -9.114   2.309
   26    HH   TYR   3           HH       TYR   3 -20.358  -7.655   0.999
   27    H    GLU   4           H        GLU   4 -15.941  -9.567   8.182
   28    HA   GLU   4           HA       GLU   4 -14.371  -9.031   5.804
   29   1HB   GLU   4          1HB       GLU   4 -13.666 -10.280   8.300
   30   2HB   GLU   4          2HB       GLU   4 -12.642 -10.279   7.028
   31   1HG   GLU   4          1HG       GLU   4 -12.525  -7.894   7.140
   32   2HG   GLU   4          2HG       GLU   4 -13.519  -7.916   8.436
   33    H    ASN   5           H        ASN   5 -14.483 -10.270   3.999
   34    HA   ASN   5           HA       ASN   5 -14.876 -13.186   4.260
   35   1HB   ASN   5          1HB       ASN   5 -16.900 -11.993   3.567
   36   2HB   ASN   5          2HB       ASN   5 -16.099 -11.594   2.200
   37   1HD2  ASN   5          1HD2      ASN   5 -15.835 -13.127   0.497
   38   2HD2  ASN   5          2HD2      ASN   5 -16.631 -14.663   0.575
   39    H    LYS   6           H        LYS   6 -13.008 -14.188   3.774
   40    HA   LYS   6           HA       LYS   6 -11.611 -13.406   1.321
   41   1HB   LYS   6          1HB       LYS   6  -9.518 -13.601   2.270
   42   2HB   LYS   6          2HB       LYS   6 -10.370 -12.431   3.027
   43   1HG   LYS   6          1HG       LYS   6 -10.674 -13.891   4.892
   44   2HG   LYS   6          2HG       LYS   6  -9.764 -15.018   4.138
   45   1HD   LYS   6          1HD       LYS   6  -8.633 -12.463   4.784
   46   2HD   LYS   6          2HD       LYS   6  -8.673 -13.647   5.908
   47   1HE   LYS   6          1HE       LYS   6  -7.308 -15.017   4.494
   48   2HE   LYS   6          2HE       LYS   6  -7.242 -13.804   3.401
   49   1HZ   LYS   6          1HZ       LYS   6  -5.306 -13.806   4.737
   50   2HZ   LYS   6          2HZ       LYS   6  -6.228 -13.650   6.075
   51   3HZ   LYS   6          3HZ       LYS   6  -6.162 -12.438   4.983
   52    HA   PRO   7           HA       PRO   7 -12.324 -17.843   0.735
   53   1HB   PRO   7          1HB       PRO   7 -11.059 -17.442  -1.842
   54   2HB   PRO   7          2HB       PRO   7 -12.511 -18.140  -1.573
   55   1HG   PRO   7          1HG       PRO   7 -12.459 -15.767  -2.575
   56   2HG   PRO   7          2HG       PRO   7 -13.592 -16.110  -1.450
   57   1HD   PRO   7          1HD       PRO   7 -11.112 -14.678  -1.052
   58   2HD   PRO   7          2HD       PRO   7 -12.575 -14.312  -0.426
   59    H    ARG   8           H        ARG   8 -11.413 -19.668   1.307
   60    HA   ARG   8           HA       ARG   8  -8.479 -19.863   1.094
   61   1HB   ARG   8          1HB       ARG   8  -8.255 -20.727   3.175
   62   2HB   ARG   8          2HB       ARG   8  -8.954 -19.255   3.276
   63   1HG   ARG   8          1HG       ARG   8 -11.027 -20.270   3.814
   64   2HG   ARG   8          2HG       ARG   8 -10.338 -21.746   3.701
   65   1HD   ARG   8          1HD       ARG   8 -10.396 -21.383   5.949
   66   2HD   ARG   8          2HD       ARG   8  -8.858 -20.991   5.561
   67    HE   ARG   8           HE       ARG   8 -10.565 -18.726   5.476
   68   1HH1  ARG   8          1HH1      ARG   8  -8.503 -20.574   7.694
   69   2HH1  ARG   8          2HH1      ARG   8  -8.443 -19.268   8.830
   70   1HH2  ARG   8          1HH2      ARG   8 -10.459 -17.167   7.006
   71   2HH2  ARG   8          2HH2      ARG   8  -9.524 -17.386   8.448
   72    H    ARG   9           H        ARG   9  -8.405 -20.997  -0.806
   73    HA   ARG   9           HA       ARG   9  -9.296 -23.793  -0.634
   74   1HB   ARG   9          1HB       ARG   9  -9.898 -23.846  -2.844
   75   2HB   ARG   9          2HB       ARG   9 -10.758 -22.687  -2.080
   76   1HG   ARG   9          1HG       ARG   9  -9.491 -21.010  -3.164
   77   2HG   ARG   9          2HG       ARG   9  -8.587 -22.154  -3.901
   78   1HD   ARG   9          1HD       ARG   9 -10.542 -22.891  -5.097
   79   2HD   ARG   9          2HD       ARG   9 -11.399 -21.687  -4.402
   80    HE   ARG   9           HE       ARG   9  -9.288 -21.321  -6.376
   81   1HH1  ARG   9          1HH1      ARG   9 -11.995 -19.804  -4.652
   82   2HH1  ARG   9          2HH1      ARG   9 -11.946 -18.411  -5.681
   83   1HH2  ARG   9          1HH2      ARG   9  -9.334 -19.527  -7.610
   84   2HH2  ARG   9          2HH2      ARG   9 -10.477 -18.260  -7.313
   85    HA   PRO  10           HA       PRO  10  -4.812 -24.252  -1.301
   86   1HB   PRO  10          1HB       PRO  10  -5.280 -27.057  -0.844
   87   2HB   PRO  10          2HB       PRO  10  -4.209 -26.107  -0.057
   88   1HG   PRO  10          1HG       PRO  10  -6.329 -26.864   1.197
   89   2HG   PRO  10          2HG       PRO  10  -5.805 -25.333   1.414
   90   1HD   PRO  10          1HD       PRO  10  -7.949 -26.211  -0.326
   91   2HD   PRO  10          2HD       PRO  10  -7.964 -24.926   0.681
   92    H    TYR  11           H        TYR  11  -3.752 -24.094  -3.120
   93    HA   TYR  11           HA       TYR  11  -4.978 -25.221  -5.453
   94   1HB   TYR  11          1HB       TYR  11  -3.928 -22.969  -5.305
   95   2HB   TYR  11          2HB       TYR  11  -2.486 -23.732  -5.379
   96    HD1  TYR  11           HD1      TYR  11  -5.350 -22.769  -7.317
   97    HD2  TYR  11           HD2      TYR  11  -1.657 -24.657  -7.503
   98    HE1  TYR  11           HE1      TYR  11  -5.457 -22.749  -9.706
   99    HE2  TYR  11           HE2      TYR  11  -1.780 -24.653  -9.890
  100    HH   TYR  11           HH       TYR  11  -2.858 -24.128 -11.729
  101    H    ILE  12           H        ILE  12  -1.977 -26.168  -3.873
  102    HA   ILE  12           HA       ILE  12  -1.464 -28.059  -5.875
  103    HB   ILE  12           HB       ILE  12   0.275 -28.934  -4.450
  104   1HG1  ILE  12          1HG1      ILE  12  -0.021 -26.839  -2.541
  105   2HG1  ILE  12          2HG1      ILE  12  -0.765 -28.277  -2.322
  106   1HG2  ILE  12          1HG2      ILE  12   1.761 -27.013  -4.615
  107   2HG2  ILE  12          2HG2      ILE  12   0.463 -26.079  -4.943
  108   3HG2  ILE  12          3HG2      ILE  12   0.911 -27.250  -5.989
  109   1HD1  ILE  12          1HD1      ILE  12   1.280 -28.222  -1.108
  110   2HD1  ILE  12          2HD1      ILE  12   2.101 -27.930  -2.489
  111   3HD1  ILE  12          3HD1      ILE  12   1.358 -29.367  -2.270
  112    H    LEU  13           H        LEU  13  -3.548 -28.532  -3.226
  113    HA   LEU  13           HA       LEU  13  -4.058 -31.233  -4.157
  114   1HB   LEU  13          1HB       LEU  13  -3.573 -30.659  -1.385
  115   2HB   LEU  13          2HB       LEU  13  -4.332 -32.019  -1.879
  116    HG   LEU  13           HG       LEU  13  -1.641 -31.448  -2.666
  117   1HD1  LEU  13          1HD1      LEU  13  -0.869 -32.858  -0.865
  118   2HD1  LEU  13          2HD1      LEU  13  -2.403 -32.975  -0.318
  119   3HD1  LEU  13          3HD1      LEU  13  -1.630 -31.537  -0.281
  120   1HD2  LEU  13          1HD2      LEU  13  -1.453 -33.799  -3.057
  121   2HD2  LEU  13          2HD2      LEU  13  -2.645 -33.147  -3.963
  122   3HD2  LEU  13          3HD2      LEU  13  -3.012 -33.988  -2.612
  123    HXT  LEU  13           HXT      LEU  13  -6.935 -29.201  -2.335
  Start of MODEL   13
    1    HN   PCA   1           HN       PCA   1 -22.785 -16.575  20.759
    2    HA   PCA   1           HA       PCA   1 -20.577 -17.432  19.933
    3   1HB   PCA   1          1HB       PCA   1 -21.250 -19.575  18.474
    4   2HB   PCA   1          2HB       PCA   1 -20.904 -19.721  20.064
    5   1HG   PCA   1          1HG       PCA   1 -23.481 -19.798  18.829
    6   2HG   PCA   1          2HG       PCA   1 -23.034 -20.480  20.244
    7    H    LEU   2           H        LEU   2 -19.545 -16.728  18.048
    8    HA   LEU   2           HA       LEU   2 -20.831 -15.645  15.975
    9   1HB   LEU   2          1HB       LEU   2 -21.261 -13.803  17.496
   10   2HB   LEU   2          2HB       LEU   2 -19.645 -13.590  17.600
   11    HG   LEU   2           HG       LEU   2 -19.704 -13.191  15.178
   12   1HD1  LEU   2          1HD1      LEU   2 -21.754 -12.370  14.249
   13   2HD1  LEU   2          2HD1      LEU   2 -22.530 -12.780  15.626
   14   3HD1  LEU   2          3HD1      LEU   2 -21.891 -13.941  14.672
   15   1HD2  LEU   2          1HD2      LEU   2 -20.276 -10.852  15.473
   16   2HD2  LEU   2          2HD2      LEU   2 -19.353 -11.380  16.712
   17   3HD2  LEU   2          3HD2      LEU   2 -20.966 -11.219  16.906
   18    H    TYR   3           H        TYR   3 -19.534 -16.684  14.537
   19    HA   TYR   3           HA       TYR   3 -16.650 -16.233  14.716
   20   1HB   TYR   3          1HB       TYR   3 -16.112 -18.420  14.224
   21   2HB   TYR   3          2HB       TYR   3 -16.985 -18.369  15.604
   22    HD1  TYR   3           HD1      TYR   3 -16.991 -19.557  12.220
   23    HD2  TYR   3           HD2      TYR   3 -19.141 -19.504  15.771
   24    HE1  TYR   3           HE1      TYR   3 -18.483 -21.208  11.344
   25    HE2  TYR   3           HE2      TYR   3 -20.617 -21.171  14.897
   26    HH   TYR   3           HH       TYR   3 -21.223 -22.483  13.241
   27    H    GLU   4           H        GLU   4 -15.739 -15.316  12.951
   28    HA   GLU   4           HA       GLU   4 -17.204 -15.341  10.451
   29   1HB   GLU   4          1HB       GLU   4 -14.885 -13.848  11.288
   30   2HB   GLU   4          2HB       GLU   4 -15.421 -13.803   9.746
   31   1HG   GLU   4          1HG       GLU   4 -17.444 -12.783  10.480
   32   2HG   GLU   4          2HG       GLU   4 -16.905 -12.825  12.021
   33    H    ASN   5           H        ASN   5 -16.958 -16.922   8.945
   34    HA   ASN   5           HA       ASN   5 -14.452 -18.440   8.787
   35   1HB   ASN   5          1HB       ASN   5 -16.674 -19.496   8.868
   36   2HB   ASN   5          2HB       ASN   5 -16.912 -18.913   7.361
   37   1HD2  ASN   5          1HD2      ASN   5 -15.300 -21.334   9.226
   38   2HD2  ASN   5          2HD2      ASN   5 -14.732 -22.259   7.876
   39    H    LYS   6           H        LYS   6 -12.765 -17.654   7.689
   40    HA   LYS   6           HA       LYS   6 -13.190 -16.033   5.334
   41   1HB   LYS   6          1HB       LYS   6 -10.751 -16.840   6.670
   42   2HB   LYS   6          2HB       LYS   6 -10.754 -15.892   5.340
   43   1HG   LYS   6          1HG       LYS   6 -11.965 -15.010   7.785
   44   2HG   LYS   6          2HG       LYS   6 -10.373 -14.780   7.501
   45   1HD   LYS   6          1HD       LYS   6 -12.367 -13.678   5.758
   46   2HD   LYS   6          2HD       LYS   6 -11.858 -12.866   7.081
   47   1HE   LYS   6          1HE       LYS   6 -10.033 -13.585   4.979
   48   2HE   LYS   6          2HE       LYS   6 -10.855 -12.174   4.951
   49   1HZ   LYS   6          1HZ       LYS   6  -8.705 -11.850   5.828
   50   2HZ   LYS   6          2HZ       LYS   6  -9.010 -12.950   6.995
   51   3HZ   LYS   6          3HZ       LYS   6  -9.831 -11.539   6.968
   52    HA   PRO   7           HA       PRO   7 -12.739 -19.808   2.784
   53   1HB   PRO   7          1HB       PRO   7 -13.480 -18.863   0.432
   54   2HB   PRO   7          2HB       PRO   7 -14.616 -19.128   1.576
   55   1HG   PRO   7          1HG       PRO   7 -13.408 -16.604   0.860
   56   2HG   PRO   7          2HG       PRO   7 -14.988 -16.897   1.157
   57   1HD   PRO   7          1HD       PRO   7 -13.437 -15.855   3.013
   58   2HD   PRO   7          2HD       PRO   7 -14.699 -16.809   3.417
   59    H    ARG   8           H        ARG   8 -10.997 -20.823   2.401
   60    HA   ARG   8           HA       ARG   8  -8.877 -19.558   0.770
   61   1HB   ARG   8          1HB       ARG   8  -8.403 -19.401   3.146
   62   2HB   ARG   8          2HB       ARG   8  -8.384 -21.034   3.187
   63   1HG   ARG   8          1HG       ARG   8  -6.193 -20.560   3.119
   64   2HG   ARG   8          2HG       ARG   8  -6.514 -20.833   1.541
   65   1HD   ARG   8          1HD       ARG   8  -6.558 -18.486   1.138
   66   2HD   ARG   8          2HD       ARG   8  -6.251 -18.206   2.718
   67    HE   ARG   8           HE       ARG   8  -4.356 -19.307   0.801
   68   1HH1  ARG   8          1HH1      ARG   8  -4.782 -17.989   4.073
   69   2HH1  ARG   8          2HH1      ARG   8  -3.071 -17.856   4.306
   70   1HH2  ARG   8          1HH2      ARG   8  -2.226 -19.079   1.212
   71   2HH2  ARG   8          2HH2      ARG   8  -1.664 -18.458   2.728
   72    H    ARG   9           H        ARG   9  -9.095 -20.681  -1.173
   73    HA   ARG   9           HA       ARG   9  -9.517 -23.549  -1.103
   74   1HB   ARG   9          1HB       ARG   9  -9.864 -23.464  -3.376
   75   2HB   ARG   9          2HB       ARG   9 -10.747 -22.286  -2.667
   76   1HG   ARG   9          1HG       ARG   9  -9.219 -20.658  -3.480
   77   2HG   ARG   9          2HG       ARG   9  -8.348 -21.838  -4.199
   78   1HD   ARG   9          1HD       ARG   9 -11.069 -21.337  -4.983
   79   2HD   ARG   9          2HD       ARG   9  -9.834 -20.520  -5.671
   80    HE   ARG   9           HE       ARG   9  -9.352 -23.285  -5.846
   81   1HH1  ARG   9          1HH1      ARG   9 -11.310 -20.800  -7.456
   82   2HH1  ARG   9          2HH1      ARG   9 -11.379 -21.714  -8.926
   83   1HH2  ARG   9          1HH2      ARG   9  -9.494 -24.339  -7.763
   84   2HH2  ARG   9          2HH2      ARG   9 -10.376 -23.667  -9.093
   85    HA   PRO  10           HA       PRO  10  -5.037 -24.269  -1.356
   86   1HB   PRO  10          1HB       PRO  10  -4.981 -26.832  -0.770
   87   2HB   PRO  10          2HB       PRO  10  -5.234 -25.747   0.425
   88   1HG   PRO  10          1HG       PRO  10  -7.206 -27.363  -0.918
   89   2HG   PRO  10          2HG       PRO  10  -7.117 -27.027   0.678
   90   1HD   PRO  10          1HD       PRO  10  -8.763 -25.711  -0.918
   91   2HD   PRO  10          2HD       PRO  10  -8.151 -25.020   0.429
   92    H    TYR  11           H        TYR  11  -3.937 -24.071  -3.124
   93    HA   TYR  11           HA       TYR  11  -4.975 -25.258  -5.516
   94   1HB   TYR  11          1HB       TYR  11  -3.985 -22.990  -5.346
   95   2HB   TYR  11          2HB       TYR  11  -2.525 -23.719  -5.269
   96    HD1  TYR  11           HD1      TYR  11  -5.219 -22.868  -7.488
   97    HD2  TYR  11           HD2      TYR  11  -1.481 -24.665  -7.282
   98    HE1  TYR  11           HE1      TYR  11  -5.097 -22.895  -9.875
   99    HE2  TYR  11           HE2      TYR  11  -1.375 -24.706  -9.669
  100    HH   TYR  11           HH       TYR  11  -2.282 -24.241 -11.613
  101    H    ILE  12           H        ILE  12  -2.062 -26.116  -3.723
  102    HA   ILE  12           HA       ILE  12  -1.409 -28.054  -5.636
  103    HB   ILE  12           HB       ILE  12   0.252 -28.871  -4.096
  104   1HG1  ILE  12          1HG1      ILE  12  -0.156 -26.739  -2.254
  105   2HG1  ILE  12          2HG1      ILE  12  -0.917 -28.169  -2.046
  106   1HG2  ILE  12          1HG2      ILE  12   1.725 -26.937  -4.219
  107   2HG2  ILE  12          2HG2      ILE  12   0.438 -26.026  -4.643
  108   3HG2  ILE  12          3HG2      ILE  12   0.958 -27.215  -5.633
  109   1HD1  ILE  12          1HD1      ILE  12   1.059 -28.095  -0.722
  110   2HD1  ILE  12          2HD1      ILE  12   1.957 -27.835  -2.061
  111   3HD1  ILE  12          3HD1      ILE  12   1.196 -29.265  -1.852
  112    H    LEU  13           H        LEU  13  -3.651 -28.477  -3.110
  113    HA   LEU  13           HA       LEU  13  -4.064 -31.214  -3.984
  114   1HB   LEU  13          1HB       LEU  13  -3.775 -30.535  -1.208
  115   2HB   LEU  13          2HB       LEU  13  -4.487 -31.920  -1.699
  116    HG   LEU  13           HG       LEU  13  -1.756 -31.349  -2.331
  117   1HD1  LEU  13          1HD1      LEU  13  -1.089 -32.680  -0.431
  118   2HD1  LEU  13          2HD1      LEU  13  -2.654 -32.794   0.020
  119   3HD1  LEU  13          3HD1      LEU  13  -1.898 -31.346   0.051
  120   1HD2  LEU  13          1HD2      LEU  13  -1.524 -33.711  -2.617
  121   2HD2  LEU  13          2HD2      LEU  13  -2.660 -33.107  -3.622
  122   3HD2  LEU  13          3HD2      LEU  13  -3.107 -33.900  -2.266
  123    HXT  LEU  13           HXT      LEU  13  -7.091 -29.185  -2.431
  Start of MODEL   14
    1    HN   PCA   1           HN       PCA   1 -23.968  -3.289   8.314
    2    HA   PCA   1           HA       PCA   1 -21.590  -2.943   9.030
    3   1HB   PCA   1          1HB       PCA   1 -21.616  -3.822  11.170
    4   2HB   PCA   1          2HB       PCA   1 -21.040  -5.160  10.433
    5   1HG   PCA   1          1HG       PCA   1 -23.039  -6.226  10.574
    6   2HG   PCA   1          2HG       PCA   1 -23.368  -5.140  11.749
    7    H    LEU   2           H        LEU   2 -19.781  -3.514   7.788
    8    HA   LEU   2           HA       LEU   2 -20.242  -5.205   5.625
    9   1HB   LEU   2          1HB       LEU   2 -19.220  -2.540   5.308
   10   2HB   LEU   2          2HB       LEU   2 -18.841  -3.728   4.253
   11    HG   LEU   2           HG       LEU   2 -21.278  -3.880   3.878
   12   1HD1  LEU   2          1HD1      LEU   2 -22.525  -1.844   4.110
   13   2HD1  LEU   2          2HD1      LEU   2 -21.267  -1.183   4.913
   14   3HD1  LEU   2          3HD1      LEU   2 -22.082  -2.438   5.565
   15   1HD2  LEU   2          1HD2      LEU   2 -21.165  -2.171   2.137
   16   2HD2  LEU   2          2HD2      LEU   2 -19.793  -3.054   2.173
   17   3HD2  LEU   2          3HD2      LEU   2 -19.825  -1.569   2.849
   18    H    TYR   3           H        TYR   3 -18.790  -6.849   5.868
   19    HA   TYR   3           HA       TYR   3 -16.118  -6.245   6.884
   20   1HB   TYR   3          1HB       TYR   3 -16.075  -8.078   8.294
   21   2HB   TYR   3          2HB       TYR   3 -17.309  -7.096   8.719
   22    HD1  TYR   3           HD1      TYR   3 -16.500 -10.365   7.499
   23    HD2  TYR   3           HD2      TYR   3 -19.631  -7.872   8.604
   24    HE1  TYR   3           HE1      TYR   3 -17.994 -12.232   7.489
   25    HE2  TYR   3           HE2      TYR   3 -21.118  -9.745   8.600
   26    HH   TYR   3           HH       TYR   3 -21.453 -11.895   8.293
   27    H    GLU   4           H        GLU   4 -14.370  -7.069   5.800
   28    HA   GLU   4           HA       GLU   4 -14.921  -8.628   3.454
   29   1HB   GLU   4          1HB       GLU   4 -12.717  -8.233   2.809
   30   2HB   GLU   4          2HB       GLU   4 -13.433  -6.831   3.242
   31   1HG   GLU   4          1HG       GLU   4 -12.162  -6.750   5.216
   32   2HG   GLU   4          2HG       GLU   4 -11.505  -8.208   4.883
   33    H    ASN   5           H        ASN   5 -14.767 -10.697   2.980
   34    HA   ASN   5           HA       ASN   5 -13.295 -12.505   4.795
   35   1HB   ASN   5          1HB       ASN   5 -15.715 -12.528   5.153
   36   2HB   ASN   5          2HB       ASN   5 -15.855 -13.126   3.640
   37   1HD2  ASN   5          1HD2      ASN   5 -15.371 -15.347   3.195
   38   2HD2  ASN   5          2HD2      ASN   5 -15.082 -16.446   4.502
   39    H    LYS   6           H        LYS   6 -11.502 -13.171   3.720
   40    HA   LYS   6           HA       LYS   6 -11.607 -13.662   0.864
   41   1HB   LYS   6          1HB       LYS   6  -9.428 -13.805   2.762
   42   2HB   LYS   6          2HB       LYS   6  -9.235 -14.140   1.175
   43   1HG   LYS   6          1HG       LYS   6 -10.023 -11.514   2.012
   44   2HG   LYS   6          2HG       LYS   6  -8.445 -11.935   1.981
   45   1HD   LYS   6          1HD       LYS   6  -8.596 -12.308  -0.367
   46   2HD   LYS   6          2HD       LYS   6 -10.170 -11.872  -0.332
   47   1HE   LYS   6          1HE       LYS   6  -9.128 -10.010  -1.132
   48   2HE   LYS   6          2HE       LYS   6  -9.360  -9.657   0.445
   49   1HZ   LYS   6          1HZ       LYS   6  -7.191  -9.064  -0.214
   50   2HZ   LYS   6          2HZ       LYS   6  -6.904 -10.604  -0.672
   51   3HZ   LYS   6          3HZ       LYS   6  -7.136 -10.251   0.905
   52    HA   PRO   7           HA       PRO   7 -12.396 -18.071   1.808
   53   1HB   PRO   7          1HB       PRO   7 -13.062 -18.934  -0.607
   54   2HB   PRO   7          2HB       PRO   7 -14.133 -18.037   0.239
   55   1HG   PRO   7          1HG       PRO   7 -12.388 -17.141  -1.879
   56   2HG   PRO   7          2HG       PRO   7 -13.960 -16.753  -1.659
   57   1HD   PRO   7          1HD       PRO   7 -12.043 -15.115  -0.895
   58   2HD   PRO   7          2HD       PRO   7 -13.469 -15.162  -0.101
   59    H    ARG   8           H        ARG   8 -11.045 -19.544   2.418
   60    HA   ARG   8           HA       ARG   8  -8.549 -19.784   0.973
   61   1HB   ARG   8          1HB       ARG   8  -7.698 -20.916   2.788
   62   2HB   ARG   8          2HB       ARG   8  -8.422 -19.544   3.301
   63   1HG   ARG   8          1HG       ARG   8 -10.200 -20.793   4.211
   64   2HG   ARG   8          2HG       ARG   8  -9.545 -22.176   3.641
   65   1HD   ARG   8          1HD       ARG   8  -8.977 -22.193   5.855
   66   2HD   ARG   8          2HD       ARG   8  -7.614 -21.668   5.123
   67    HE   ARG   8           HE       ARG   8  -9.339 -19.551   5.966
   68   1HH1  ARG   8          1HH1      ARG   8  -6.516 -21.459   6.957
   69   2HH1  ARG   8          2HH1      ARG   8  -6.092 -20.309   8.181
   70   1HH2  ARG   8          1HH2      ARG   8  -8.729 -18.196   7.563
   71   2HH2  ARG   8          2HH2      ARG   8  -7.315 -18.507   8.515
   72    H    ARG   9           H        ARG   9  -8.193 -21.007  -0.716
   73    HA   ARG   9           HA       ARG   9  -9.392 -23.711  -0.881
   74   1HB   ARG   9          1HB       ARG   9 -10.597 -22.094  -2.229
   75   2HB   ARG   9          2HB       ARG   9  -9.217 -21.840  -3.064
   76   1HG   ARG   9          1HG       ARG   9  -9.285 -24.094  -3.841
   77   2HG   ARG   9          2HG       ARG   9 -10.682 -24.325  -3.027
   78   1HD   ARG   9          1HD       ARG   9 -10.537 -22.351  -5.108
   79   2HD   ARG   9          2HD       ARG   9 -10.844 -23.912  -5.477
   80    HE   ARG   9           HE       ARG   9 -12.959 -23.804  -4.447
   81   1HH1  ARG   9          1HH1      ARG   9 -11.343 -20.648  -4.365
   82   2HH1  ARG   9          2HH1      ARG   9 -12.838 -19.820  -4.081
   83   1HH2  ARG   9          1HH2      ARG   9 -14.782 -22.654  -4.131
   84   2HH2  ARG   9          2HH2      ARG   9 -14.739 -20.932  -3.952
   85    HA   PRO  10           HA       PRO  10  -4.868 -24.261  -1.340
   86   1HB   PRO  10          1HB       PRO  10  -5.421 -27.044  -0.846
   87   2HB   PRO  10          2HB       PRO  10  -4.351 -26.107  -0.043
   88   1HG   PRO  10          1HG       PRO  10  -6.529 -26.793   1.157
   89   2HG   PRO  10          2HG       PRO  10  -5.968 -25.274   1.371
   90   1HD   PRO  10          1HD       PRO  10  -8.088 -26.115  -0.415
   91   2HD   PRO  10          2HD       PRO  10  -8.089 -24.812   0.570
   92    H    TYR  11           H        TYR  11  -3.825 -24.088  -3.163
   93    HA   TYR  11           HA       TYR  11  -5.013 -25.279  -5.486
   94   1HB   TYR  11          1HB       TYR  11  -4.024 -23.000  -5.367
   95   2HB   TYR  11          2HB       TYR  11  -2.561 -23.725  -5.414
   96    HD1  TYR  11           HD1      TYR  11  -1.691 -24.673  -7.514
   97    HD2  TYR  11           HD2      TYR  11  -5.419 -22.852  -7.397
   98    HE1  TYR  11           HE1      TYR  11  -1.796 -24.725  -9.901
   99    HE2  TYR  11           HE2      TYR  11  -5.506 -22.884  -9.786
  100    HH   TYR  11           HH       TYR  11  -4.578 -23.417 -11.708
  101    H    ILE  12           H        ILE  12  -2.014 -26.144  -3.864
  102    HA   ILE  12           HA       ILE  12  -1.456 -28.060  -5.833
  103    HB   ILE  12           HB       ILE  12   0.311 -28.857  -4.397
  104   1HG1  ILE  12          1HG1      ILE  12  -0.045 -26.756  -2.507
  105   2HG1  ILE  12          2HG1      ILE  12  -0.771 -28.201  -2.281
  106   1HG2  ILE  12          1HG2      ILE  12   1.745 -26.903  -4.565
  107   2HG2  ILE  12          2HG2      ILE  12   0.426 -26.005  -4.911
  108   3HG2  ILE  12          3HG2      ILE  12   0.911 -27.174  -5.943
  109   1HD1  ILE  12          1HD1      ILE  12   1.261 -28.109  -1.050
  110   2HD1  ILE  12          2HD1      ILE  12   2.091 -27.818  -2.426
  111   3HD1  ILE  12          3HD1      ILE  12   1.364 -29.263  -2.200
  112    H    LEU  13           H        LEU  13  -3.632 -28.507  -3.299
  113    HA   LEU  13           HA       LEU  13  -4.016 -31.278  -4.128
  114   1HB   LEU  13          1HB       LEU  13  -2.641 -31.320  -2.135
  115   2HB   LEU  13          2HB       LEU  13  -3.885 -30.630  -1.331
  116    HG   LEU  13           HG       LEU  13  -5.181 -32.626  -1.982
  117   1HD1  LEU  13          1HD1      LEU  13  -3.943 -34.642  -2.359
  118   2HD1  LEU  13          2HD1      LEU  13  -2.563 -33.771  -2.422
  119   3HD1  LEU  13          3HD1      LEU  13  -3.706 -33.574  -3.571
  120   1HD2  LEU  13          1HD2      LEU  13  -4.397 -33.882  -0.072
  121   2HD2  LEU  13          2HD2      LEU  13  -4.508 -32.293   0.287
  122   3HD2  LEU  13          3HD2      LEU  13  -3.052 -32.957  -0.035
  123    HXT  LEU  13           HXT      LEU  13  -7.340 -30.369  -4.090