*HEADER    STRUCTURAL PROTEIN                      30-OCT-01   1K9Q              
*TITLE     YAP65 WW DOMAIN COMPLEXED TO N-(N-OCTYL)-GPPPY-NH2                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 65 KDA YES-ASSOCIATED PROTEIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WILD TYPE WW DOMAIN;                                       
*COMPND   5 SYNONYM: YAP65;                                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: WW DOMAIN BINDING PROTEIN-1;                               
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: RESIDUES 149-153;                                          
*COMPND  11 SYNONYM: WBP-1;                                                      
*COMPND  12 ENGINEERED: YES;                                                     
*COMPND  13 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHETICALLY OBTAINED,             
*SOURCE   4 BY SEMIAUTOMATED SPOT SYNTHESIS IN A CELLULOSE SUPPORT.;             
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHETICALLY OBTAINED BY           
*SOURCE   8 SPOT SYNTHESIS IN A CELLULOSE SUPPORT.                               
*KEYWDS    WW DOMAIN, YAP65, BETA-SHEET PROTEINS, LIGANDS, PROLINE-              
*KEYWDS   2 RICH PEPTIDES                                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.R.PIRES, F.TAHA-NEJAD, F.TOEPERT, T.AST, U.HOFFMULLER,              
*AUTHOR   2 J.SCHNEIDER-MERGENER, R.KUHNE, M.J.MACIAS, H.OSCHKINAT               
*REVDAT   1   28-DEC-01 1K9Q    0                                                

assi (resi 6    and name HN  ) (resi 7    and name HN  )  5.00  3.20  0.75
assi (resi 7    and name HA  ) (resi 8    and name HD1 )  3.50  1.70  0.75
assi (resi 7    and name HA  ) (resi 8    and name HD2 )  3.50  1.70  0.75
assi (resi 7    and name HB  ) (resi 8    and name HD1 )  5.00  3.20  0.75
assi (resi 7    and name HB  ) (resi 8    and name HD2 )  5.00  3.20  0.75
assi (resi 7    and name HG2#) (resi 8    and name HD1 )  5.00  3.20  0.75
assi (resi 7    and name HG2#) (resi 8    and name HD2 )  4.50  2.70  0.75
assi (resi 7    and name HD1#) (resi 8    and name HD1 )  5.00  3.20  0.75
assi (resi 7    and name HD1#) (resi 8    and name HD2 )  5.00  3.20  0.75
assi (resi 7    and name HD1#) (resi 44   and name HA  )  5.00  3.20  0.75
assi (resi 7    and name HD1#) (resi 44   and name HB1 )  5.00  3.20  0.75
assi (resi 7    and name HD1#) (resi 44   and name HG# )  5.00  3.20  0.75
assi (resi 7    and name HD1#) (resi 44   and name HD# )  5.00  3.20  0.75
assi (resi 8    and name HA  ) (resi 9    and name HN  )  4.00  2.20  0.75     
assi (resi 8    and name HB# ) (resi 9    and name HN  )  5.00  3.20  0.75
assi (resi 8    and name HG# ) (resi 9    and name HN  )  5.00  3.20  0.75
assi (resi 8    and name HB# ) (resi 10   and name HN  )  5.00  3.20  0.75
assi (resi 8    and name HG# ) (resi 10   and name HN  )  5.00  3.20  0.75
assi (resi 9    and name HN  ) (resi 9    and name HB1 )  4.00  2.20  0.75
assi (resi 9    and name HN  ) (resi 9    and name HB2 )  3.50  1.70  0.40
assi (resi 9    and name HN  ) (resi 10   and name HN  )  4.00  2.20  0.75
assi (resi 9    and name HA  ) (resi 10   and name HN  )  4.00  2.20  0.75
assi (resi 9    and name HB1 ) (resi 10   and name HN  )  4.00  2.20  0.75
assi (resi 9    and name HB2 ) (resi 10   and name HN  )  4.50  2.70  0.75
assi (resi 10   and name HN  ) (resi 10   and name HB1 )  4.00  2.20  0.75
assi (resi 10   and name HN  ) (resi 10   and name HB2 )  3.50  1.70  0.40
assi (resi 10   and name HN  ) (resi 11   and name HN  )  3.50  1.70  0.40
assi (resi 10   and name HA  ) (resi 11   and name HN  )  4.00  2.20  0.75
assi (resi 11   and name HN  ) (resi 11   and name HB  )  3.50  1.70  0.40
assi (resi 11   and name HN  ) (resi 11   and name HG# )  4.00  2.20  0.75
assi (resi 11   and name HA  ) (resi 12   and name HD1 )  3.50  1.70  0.40
assi (resi 11   and name HA  ) (resi 12   and name HD2 )  3.50  1.70  0.40
assi (resi 11   and name HB  ) (resi 12   and name HD1 )  5.00  3.20  0.75
assi (resi 11   and name HG# ) (resi 12   and name HD1 )  5.00  3.20  0.75
assi (resi 11   and name HG# ) (resi 12   and name HD2 )  4.00  2.20  0.75
assi (resi 11   and name HG# ) (resi 43   and name HD1 )  5.00  3.20  0.75
assi (resi 11   and name HG# ) (resi 43   and name HD2 )  5.00  3.20  0.75
assi (resi 12   and name HA  ) (resi 13   and name HN  )  5.00  3.20  0.75
assi (resi 12   and name HG# ) (resi 13   and name HN  )  3.50  1.70  0.40
assi (resi 13   and name HA  ) (resi 14   and name HD1 )  3.50  1.70  0.40
assi (resi 13   and name HA  ) (resi 14   and name HD2 )  4.00  2.20  0.75
assi (resi 13   and name HG  ) (resi 14   and name HD1 )  4.00  2.20  0.75
assi (resi 13   and name HG  ) (resi 14   and name HD2 )  4.00  2.20  0.75
assi (resi 13   and name HB# ) (resi 14   and name HD1 )  5.00  3.20  0.75
assi (resi 13   and name HB# ) (resi 14   and name HD2 )  5.00  3.20  0.75
assi (resi 13   and name HB# ) (resi 17   and name HB1 )  5.00  3.20  0.75
assi (resi 13   and name HB# ) (resi 17   and name HB2 )  4.00  2.20  0.75
assi (resi 13   and name HD# ) (resi 17   and name HB1 )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 17   and name HB2 )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 17   and name HE3 )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 29   and name HD# )  4.00  2.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HB1 )  5.00  3.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HB2 )  5.00  3.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HD1 )  5.00  3.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HD2 )  5.00  3.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HG# )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 43   and name HD1 )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 43   and name HD2 )  5.00  3.20  0.75
assi (resi 14   and name HA  ) (resi 15   and name HN  )  2.50  0.70  0.30
assi (resi 14   and name HB1 ) (resi 15   and name HN  )  5.00  3.20  0.75
assi (resi 14   and name HB2 ) (resi 15   and name HN  )  4.00  2.20  0.75
assi (resi 14   and name HG1 ) (resi 15   and name HN  )  5.00  3.20  0.75
assi (resi 14   and name HA  ) (resi 17   and name HD1 )  5.00  3.20  0.75
assi (resi 14   and name HB1 ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 14   and name HB2 ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 14   and name HG1 ) (resi 17   and name HD1 )  5.00  3.20  0.75
assi (resi 14   and name HG2 ) (resi 17   and name HD1 )  4.50  2.70  0.75
assi (resi 14   and name HD1 ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 14   and name HD2 ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 14   and name HG1 ) (resi 42   and name HB1 )  5.00  3.20  0.75
assi (resi 14   and name HG1 ) (resi 42   and name HG# )  5.00  3.20  0.75
assi (resi 14   and name HG2 ) (resi 42   and name HB1 )  4.50  2.70  0.75
assi (resi 14   and name HG2 ) (resi 42   and name HG# )  5.00  3.20  0.75
assi (resi 14   and name HD1 ) (resi 42   and name HA  )  5.00  3.20  0.75
assi (resi 14   and name HD2 ) (resi 42   and name HB1 )  5.00  3.20  0.75
assi (resi 14   and name HD2 ) (resi 42   and name HG# )  5.00  3.20  0.75
assi (resi 14   and name HD1 ) (resi 43   and name HG# )  5.00  3.20  0.75
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.50  0.70  0.30
assi (resi 15   and name HA  ) (resi 17   and name HN  )  4.00  2.20  0.75
assi (resi 15   and name HB# ) (resi 17   and name HN  )  5.00  3.20  0.75
assi (resi 15   and name HB# ) (resi 17   and name HD1 )  5.00  3.20  0.75
assi (resi 16   and name HN  ) (resi 17   and name HN  )  3.50  1.70  0.40
assi (resi 16   and name HA1 ) (resi 17   and name HN  )  5.00  3.20  0.75
assi (resi 16   and name HA2 ) (resi 17   and name HN  )  5.00  3.20  0.75
assi (resi 16   and name HA1 ) (resi 33   and name HG1#)  5.00  3.20  0.75
assi (resi 16   and name HA2 ) (resi 33   and name HD1#)  5.00  3.20  0.75
assi (resi 16   and name HA2 ) (resi 33   and name HG1#)  4.50  2.70  0.75
assi (resi 17   and name HN  ) (resi 17   and name HB2 )  4.00  2.20  0.75
assi (resi 17   and name HN  ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 17   and name HN  ) (resi 17   and name HE3 )  5.00  3.20  0.75
assi (resi 17   and name HA  ) (resi 17   and name HB1 )  4.00  2.20  0.75
assi (resi 17   and name HA  ) (resi 17   and name HB2 )  3.50  1.70  0.40
assi (resi 17   and name HA  ) (resi 17   and name HD1 )  5.00  3.20  0.75
assi (resi 17   and name HA  ) (resi 17   and name HE3 )  4.00  2.20  0.75
assi (resi 17   and name HD1 ) (resi 17   and name HE1 )  2.50  0.70  0.30
assi (resi 17   and name HE1 ) (resi 17   and name HZ2 )  3.50  1.70  0.40
assi (resi 17   and name HE1 ) (resi 17   and name HH2 )  5.00  3.20  0.75
assi (resi 17   and name HA  ) (resi 18   and name HN  )  3.50  1.70  0.40
assi (resi 17   and name HB1 ) (resi 18   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HB2 ) (resi 18   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HE3 ) (resi 18   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HE3 ) (resi 29   and name HA  )  5.00  3.20  0.75
assi (resi 17   and name HE3 ) (resi 29   and name HB1 )  3.50  1.70  0.40
assi (resi 17   and name HE3 ) (resi 29   and name HB2 )  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 29   and name HD# )  4.00  2.20  0.75
assi (resi 17   and name HZ3 ) (resi 29   and name HA  )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 29   and name HB1 )  3.50  1.70  0.40
assi (resi 17   and name HZ3 ) (resi 29   and name HB2 )  3.50  1.70  0.40
assi (resi 17   and name HH2 ) (resi 29   and name HB1 )  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 29   and name HB2 )  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HA  ) (resi 31   and name HA  )  2.50  0.70  0.30
assi (resi 17   and name HE1 ) (resi 31   and name HD21)  5.00  3.20  0.75
assi (resi 17   and name HE1 ) (resi 31   and name HD22)  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 31   and name HB1 )  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 31   and name HB2 )  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 31   and name HD21)  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 31   and name HD22)  4.00  2.20  0.75
assi (resi 17   and name HZ3 ) (resi 31   and name HB1 )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 31   and name HB2 )  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 31   and name HB1 )  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 31   and name HB2 )  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 31   and name HD22)  5.00  3.20  0.75
assi (resi 17   and name HA  ) (resi 32   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HD1 ) (resi 33   and name HB  )  5.00  3.20  0.75
assi (resi 17   and name HD1 ) (resi 33   and name HG1#)  5.00  3.20  0.75
assi (resi 17   and name HE1 ) (resi 33   and name HB  )  5.00  3.20  0.75
assi (resi 17   and name HE1 ) (resi 33   and name HD1#)  5.00  3.20  0.75
assi (resi 17   and name HE1 ) (resi 33   and name HG1#)  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 37   and name HA  )  5.00  3.20  0.75
assi (resi 17   and name HE3 ) (resi 38   and name HG2#)  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 38   and name HG2#)  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 38   and name HB  )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 38   and name HG2#)  2.50  0.70  0.30
assi (resi 17   and name HH2 ) (resi 38   and name HB  )  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 38   and name HG2#)  5.00  3.20  0.75
assi (resi 17   and name HE3 ) (resi 42   and name HG# )  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 42   and name HB2 )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 42   and name HD2 )  5.50  3.70  0.75
assi (resi 18   and name HA  ) (resi 19   and name HN  )  3.50  1.70  0.40
assi (resi 18   and name HA  ) (resi 19   and name HE# )  5.00  3.20  0.75
assi (resi 18   and name HB1 ) (resi 19   and name HN  )  5.00  3.20  0.75
assi (resi 18   and name HB2 ) (resi 19   and name HN  )  5.00  3.20  0.75
assi (resi 18   and name HG# ) (resi 19   and name HN  )  5.00  3.20  0.75
assi (resi 18   and name HB1 ) (resi 20   and name HB# )  5.00  3.20  0.75
assi (resi 18   and name HG# ) (resi 20   and name HB# )  5.00  3.20  0.75
assi (resi 18   and name HB1 ) (resi 30   and name HB2 )  5.00  3.20  0.75
assi (resi 18   and name HG# ) (resi 30   and name HG  )  5.00  3.20  0.75
assi (resi 18   and name HN  ) (resi 31   and name HA  )  5.00  3.20  0.75
assi (resi 18   and name HA  ) (resi 32   and name HD2 )  5.00  3.20  0.75
assi (resi 18   and name HB2 ) (resi 32   and name HD2 )  5.00  3.20  0.75
assi (resi 18   and name HG# ) (resi 32   and name HD2 )  5.00  3.20  0.75
assi (resi 19   and name HN  ) (resi 19   and name HB1 )  3.50  1.70  0.40
assi (resi 19   and name HN  ) (resi 19   and name HB2 )  5.00  3.20  0.75
assi (resi 19   and name HA  ) (resi 19   and name HB1 )  2.50  0.70  0.30
assi (resi 19   and name HA  ) (resi 19   and name HB2 )  3.50  1.70  0.40
assi (resi 19   and name HA  ) (resi 19   and name HE# )  5.00  3.20  0.75
assi (resi 19   and name HA  ) (resi 20   and name HN  )  2.50  0.70  0.30
assi (resi 19   and name HA  ) (resi 20   and name HB# )  5.00  3.20  0.75
assi (resi 19   and name HB1 ) (resi 20   and name HN  )  3.50  1.70  0.40
assi (resi 19   and name HB2 ) (resi 20   and name HN  )  4.00  2.20  0.75
assi (resi 19   and name HG2 ) (resi 20   and name HN  )  4.00  2.20  0.75
assi (resi 19   and name HA  ) (resi 29   and name HA  )  2.50  0.70  0.30
assi (resi 19   and name HA  ) (resi 29   and name HD# )  3.50  1.70  0.40
assi (resi 19   and name HB1 ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 19   and name HB2 ) (resi 29   and name HD# )  3.50  1.70  0.40
assi (resi 19   and name HG2 ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 19   and name HE# ) (resi 29   and name HB2 )  5.00  3.20  0.75
assi (resi 19   and name HE# ) (resi 29   and name HD# )  4.50  2.70  0.75
assi (resi 19   and name HA  ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 19   and name HB1 ) (resi 30   and name HB2 )  4.00  2.20  0.75
assi (resi 19   and name HB1 ) (resi 30   and name HG  )  5.00  3.20  0.75
assi (resi 19   and name HB2 ) (resi 30   and name HB2 )  4.50  2.70  0.75
assi (resi 19   and name HB2 ) (resi 30   and name HG  )  5.00  3.20  0.75
assi (resi 20   and name HA  ) (resi 21   and name HN  )  3.50  1.70  0.40
assi (resi 20   and name HB# ) (resi 21   and name HN  )  4.00  2.20  0.75
assi (resi 20   and name HN  ) (resi 28   and name HN  )  4.00  2.20  0.75
assi (resi 20   and name HB# ) (resi 28   and name HD# )  5.00  3.20  0.75
assi (resi 20   and name HB# ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (resi 20   and name HN  ) (resi 29   and name HA  )  5.00  3.20  0.75
assi (resi 20   and name HB# ) (resi 29   and name HA  )  5.00  3.20  0.75
assi (resi 21   and name HA  ) (resi 22   and name HN  )  4.00  2.20  0.75
assi (resi 21   and name HB1 ) (resi 22   and name HN  )  5.00  3.20  0.75
assi (resi 21   and name HA  ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 21   and name HA  ) (resi 28   and name HD# )  4.00  2.20  0.75
assi (resi 21   and name HA  ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (resi 22   and name HA  ) (resi 23   and name HN  )  3.50  1.70  0.40
assi (resi 22   and name HB  ) (resi 23   and name HN  )  4.00  2.20  0.75
assi (resi 22   and name HN  ) (resi 26   and name HN  )  5.00  3.20  0.75
assi (resi 22   and name HG2#) (resi 26   and name HB1 )  5.00  3.20  0.75
assi (resi 22   and name HN  ) (resi 27   and name HA  )  5.00  3.20  0.75
assi (resi 22   and name HB  ) (resi 28   and name HE# )  4.00  2.20  0.75
assi (resi 22   and name HG2#) (resi 28   and name HD# )  5.00  3.20  0.75
assi (resi 22   and name HG2#) (resi 28   and name HE# )  5.00  3.20  0.75
assi (resi 22   and name HG2#) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 22   and name HG2#) (resi 39   and name HZ2 )  5.00  3.20  0.75
assi (resi 22   and name HG2#) (resi 39   and name HZ3 )  4.00  2.20  0.75
assi (resi 22   and name HG2#) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (resi 23   and name HN  ) (resi 24   and name HN  )  5.00  3.20  0.75
assi (resi 23   and name HA  ) (resi 24   and name HN  )  5.00  3.20  0.75
assi (resi 23   and name HB# ) (resi 24   and name HN  )  5.00  3.20  0.75
assi (resi 24   and name HN  ) (resi 25   and name HN  )  3.50  1.70  0.40
assi (resi 24   and name HA  ) (resi 25   and name HN  )  5.00  3.20  0.75
assi (resi 24   and name HB1 ) (resi 25   and name HN  )  5.00  3.20  0.75
assi (resi 24   and name HB2 ) (resi 25   and name HN  )  4.00  2.20  0.75
assi (resi 25   and name HN  ) (resi 26   and name HN  )  3.50  1.70  0.40
assi (resi 25   and name HA1 ) (resi 26   and name HN  )  5.00  3.20  0.75
assi (resi 25   and name HA2 ) (resi 26   and name HN  )  5.00  3.20  0.75
assi (resi 25   and name HA1 ) (resi 27   and name HG1 )  5.00  3.20  0.75
assi (resi 25   and name HA1 ) (resi 27   and name HG2 )  5.00  3.20  0.75
assi (resi 25   and name HA2 ) (resi 27   and name HG1 )  5.00  3.20  0.75
assi (resi 25   and name HA2 ) (resi 27   and name HG2 )  5.00  3.20  0.75
assi (resi 26   and name HN  ) (resi 26   and name HB1 )  5.00  3.20  0.75
assi (resi 26   and name HN  ) (resi 26   and name HB2 )  4.00  2.20  0.75
assi (resi 26   and name HA  ) (resi 26   and name HB1 )  4.00  2.20  0.75
assi (resi 26   and name HA  ) (resi 26   and name HB2 )  4.00  2.20  0.75
assi (resi 26   and name HN  ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HA  ) (resi 27   and name HN  )  3.50  1.70  0.40
assi (resi 26   and name HB1 ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HB2 ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HG1 ) (resi 27   and name HN  )  4.00  2.20  0.75
assi (resi 26   and name HG2 ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HB1 ) (resi 39   and name HZ3 )  4.00  2.20  0.75
assi (resi 26   and name HB1 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (resi 26   and name HB2 ) (resi 39   and name HZ3 )  5.00  3.20  0.75
assi (resi 26   and name HB2 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (resi 26   and name HG1 ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 26   and name HG1 ) (resi 39   and name HZ3 )  5.00  3.20  0.75
assi (resi 26   and name HG1 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (resi 26   and name HG2 ) (resi 39   and name HZ3 )  5.00  3.20  0.75
assi (resi 26   and name HG2 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (resi 27   and name HA  ) (resi 28   and name HN  )  3.50  1.70  0.40
assi (resi 27   and name HB1 ) (resi 28   and name HN  )  4.50  2.70  0.75
assi (resi 27   and name HB2 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 27   and name HG1 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 27   and name HG2 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 27   and name HD1 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 27   and name HD2 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 27   and name HG1 ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 27   and name HD1 ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 27   and name HD2 ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 28   and name HN  ) (resi 28   and name HD# )  4.00  2.20  0.75
assi (resi 28   and name HN  ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (resi 28   and name HA  ) (resi 28   and name HD# )  4.00  2.20  0.75
assi (resi 28   and name HA  ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (resi 28   and name HB1 ) (resi 28   and name HD# )  3.50  1.70  0.40
assi (resi 28   and name HB1 ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (resi 28   and name HB2 ) (resi 28   and name HD# )  3.50  1.70  0.40
assi (resi 28   and name HB2 ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (resi 28   and name HA  ) (resi 29   and name HN  )  3.50  1.70  0.40
assi (resi 28   and name HA  ) (resi 29   and name HD# )  3.50  1.70  0.90
assi (resi 28   and name HB1 ) (resi 29   and name HN  )  5.00  3.20  0.75
assi (resi 28   and name HB2 ) (resi 29   and name HN  )  5.00  3.20  0.75
assi (resi 28   and name HD# ) (resi 29   and name HN  )  5.00  3.20  0.75
assi (resi 28   and name HD# ) (resi 30   and name HB2 )  5.00  3.20  1.50
assi (resi 28   and name HD# ) (resi 30   and name HG  )  4.50  2.70  0.75
assi (resi 28   and name HD# ) (resi 30   and name HD2#)  5.00  3.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HB1 )  5.50  3.70  0.75
assi (resi 28   and name HE# ) (resi 30   and name HB2 )  5.00  3.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HG  )  4.00  2.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HD1#)  4.00  2.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HD2#)  4.50  2.70  0.75
assi (resi 28   and name HD# ) (resi 37   and name HA  )  5.00  3.20  0.75
assi (resi 28   and name HD# ) (resi 37   and name HB  )  2.50  0.70  0.90
assi (resi 28   and name HD# ) (resi 37   and name HG2#)  4.50  2.70  0.75
assi (resi 28   and name HE# ) (resi 37   and name HA  )  5.00  3.20  0.75
assi (resi 28   and name HE# ) (resi 37   and name HB  )  4.00  2.20  0.75
assi (resi 28   and name HE# ) (resi 37   and name HG2#)  4.00  2.20  0.75
assi (resi 28   and name HA  ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 28   and name HB1 ) (resi 39   and name HE3 )  4.00  2.20  0.75
assi (resi 28   and name HB2 ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 28   and name HD# ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 29   and name HN  ) (resi 29   and name HD# )  3.50  1.70  0.40
assi (resi 29   and name HA  ) (resi 29   and name HB1 )  3.50  1.70  0.40
assi (resi 29   and name HA  ) (resi 29   and name HB2 )  3.50  1.70  0.40
assi (resi 29   and name HA  ) (resi 29   and name HD# )  3.50  1.70  0.40
assi (resi 29   and name HA  ) (resi 30   and name HN  )  3.50  1.70  0.40
assi (resi 29   and name HB1 ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 29   and name HB2 ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 29   and name HD# ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 29   and name HN  ) (resi 38   and name HN  )  5.00  3.20  0.75
assi (resi 29   and name HB1 ) (resi 38   and name HG2#)  5.00  3.20  0.75
assi (resi 29   and name HB2 ) (resi 38   and name HG2#)  5.00  3.20  0.75
assi (resi 29   and name HD# ) (resi 38   and name HG2#)  5.00  3.20  0.75
assi (resi 29   and name HD# ) (resi 39   and name HA  )  5.00  3.20  0.75
assi (resi 29   and name HD# ) (resi 41   and name HB2 )  5.00  3.20  0.75
assi (resi 29   and name HD# ) (resi 42   and name HD1 )  4.00  2.20  0.75
assi (resi 29   and name HD# ) (resi 42   and name HD2 )  5.00  3.20  0.75
assi (resi 30   and name HA  ) (resi 31   and name HN  )  2.50  0.70  0.30
assi (resi 30   and name HB1 ) (resi 31   and name HN  )  5.00  3.20  0.75
assi (resi 30   and name HB2 ) (resi 31   and name HN  )  4.00  2.20  0.75
assi (resi 30   and name HG  ) (resi 31   and name HN  )  5.00  3.20  0.75
assi (resi 30   and name HB1 ) (resi 32   and name HD2 )  5.00  3.20  0.75
assi (resi 30   and name HD1#) (resi 32   and name HD2 )  5.00  3.20  0.75
assi (resi 30   and name HA  ) (resi 37   and name HA  )  2.50  0.70  0.30
assi (resi 30   and name HA  ) (resi 37   and name HG2#)  5.00  3.20  0.75
assi (resi 30   and name HB1 ) (resi 37   and name HA  )  5.00  3.20  0.75
assi (resi 30   and name HG  ) (resi 37   and name HA  )  5.00  3.20  0.75
assi (resi 30   and name HG  ) (resi 37   and name HB  )  5.00  3.20  0.75
assi (resi 30   and name HA  ) (resi 38   and name HN  )  5.00  3.20  0.75
assi (resi 31   and name HA  ) (resi 31   and name HB1 )  5.00  3.20  0.75
assi (resi 31   and name HA  ) (resi 31   and name HB2 )  5.00  3.20  0.75
assi (resi 31   and name HB1 ) (resi 31   and name HD21)  5.00  3.20  0.75
assi (resi 31   and name HB1 ) (resi 31   and name HD22)  5.00  3.20  0.75
assi (resi 31   and name HB2 ) (resi 31   and name HD21)  5.00  3.20  0.75
assi (resi 31   and name HB2 ) (resi 31   and name HD22)  5.00  3.20  0.75
assi (resi 31   and name HA  ) (resi 32   and name HN  )  3.50  1.70  0.40
assi (resi 31   and name HN  ) (resi 36   and name HN  )  5.00  3.20  0.75
assi (resi 31   and name HN  ) (resi 37   and name HA  )  5.00  3.20  0.75
assi (resi 32   and name HN  ) (resi 33   and name HN  )  3.50  1.70  0.40
assi (resi 32   and name HA  ) (resi 33   and name HN  )  5.00  3.20  0.75
assi (resi 32   and name HB1 ) (resi 33   and name HN  )  5.00  3.20  0.75
assi (resi 32   and name HB2 ) (resi 33   and name HN  )  5.00  3.20  0.75
assi (resi 32   and name HA  ) (resi 35   and name HA  )  5.00  3.20  0.75
assi (resi 32   and name HA  ) (resi 35   and name HB# )  5.00  3.20  0.75
assi (resi 32   and name HA  ) (resi 35   and name HG# )  5.00  3.20  0.75
assi (resi 33   and name HN  ) (resi 34   and name HN  )  4.00  2.20  0.75
assi (resi 33   and name HA  ) (resi 34   and name HN  )  5.00  3.20  0.75
assi (resi 33   and name HB  ) (resi 34   and name HN  )  4.00  2.20  0.75
assi (resi 33   and name HD1#) (resi 34   and name HN  )  5.00  3.20  0.75
assi (resi 33   and name HD1#) (resi 34   and name HA  )  5.00  3.20  0.75
assi (resi 33   and name HD1#) (resi 34   and name HB1 )  5.00  3.20  0.75
assi (resi 33   and name HD1#) (resi 34   and name HB2 )  5.00  3.20  0.75
assi (resi 33   and name HG1#) (resi 34   and name HN  )  5.00  3.20  0.75
assi (resi 34   and name HN  ) (resi 35   and name HN  )  4.00  2.20  0.75
assi (resi 34   and name HA  ) (resi 35   and name HN  )  5.00  3.20  0.75
assi (resi 34   and name HB1 ) (resi 35   and name HN  )  5.00  3.20  0.75
assi (resi 34   and name HB2 ) (resi 35   and name HN  )  5.00  3.20  0.75
assi (resi 35   and name HA  ) (resi 36   and name HN  )  5.00  3.20  0.75
assi (resi 36   and name HA  ) (resi 37   and name HN  )  2.50  0.70  0.30
assi (resi 36   and name HB  ) (resi 37   and name HN  )  2.50  0.70  0.30
assi (resi 36   and name HG2#) (resi 37   and name HN  )  5.00  3.20  0.75
assi (resi 37   and name HA  ) (resi 38   and name HN  )  4.00  2.20  0.75
assi (resi 37   and name HB  ) (resi 38   and name HN  )  5.00  3.20  0.75
assi (resi 37   and name HG2#) (resi 38   and name HN  )  5.00  3.20  0.75
assi (resi 38   and name HA  ) (resi 39   and name HN  )  2.50  0.70  0.30
assi (resi 38   and name HB  ) (resi 39   and name HN  )  4.50  2.70  0.75
assi (resi 38   and name HG2#) (resi 39   and name HN  )  5.00  3.20  0.75
assi (resi 39   and name HN  ) (resi 39   and name HA  )  5.00  3.20  0.75
assi (resi 39   and name HN  ) (resi 39   and name HD1 )  5.00  3.20  0.75
assi (resi 39   and name HN  ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 39   and name HA  ) (resi 39   and name HB1 )  3.50  1.70  0.40
assi (resi 39   and name HA  ) (resi 39   and name HB2 )  3.50  1.70  0.40
assi (resi 39   and name HA  ) (resi 39   and name HD1 )  5.00  3.20  0.75
assi (resi 39   and name HA  ) (resi 39   and name HE3 )  3.50  1.70  0.40
assi (resi 39   and name HB1 ) (resi 39   and name HD1 )  3.50  1.70  0.40
assi (resi 39   and name HB1 ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 39   and name HB2 ) (resi 39   and name HD1 )  4.00  2.20  0.75
assi (resi 39   and name HB2 ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 39   and name HD1 ) (resi 39   and name HE1 )  2.50  0.70  0.30
assi (resi 39   and name HE1 ) (resi 39   and name HZ2 )  3.50  1.70  0.40
assi (resi 39   and name HE1 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (resi 39   and name HA  ) (resi 40   and name HN  )  5.00  3.20  0.75
assi (resi 40   and name HN  ) (resi 41   and name HN  )  5.00  3.20  0.75
assi (resi 40   and name HA  ) (resi 41   and name HN  )  5.00  3.20  0.75
assi (resi 40   and name HB1 ) (resi 41   and name HN  )  4.00  2.20  0.75
assi (resi 41   and name HA  ) (resi 42   and name HD2 )  5.00  3.20  0.75
assi (resi 43   and name HN  ) (resi 44   and name HN  )  3.50  1.70  0.40
assi (resi 43   and name HA  ) (resi 44   and name HN  )  4.00  2.20  0.75
assi (resi 43   and name HB1 ) (resi 44   and name HN  )  5.00  3.20  0.75
assi (resi 43   and name HB2 ) (resi 44   and name HN  )  5.00  3.20  0.75
assi (segid "   2" and resi 1    and name HA# ) (segid "   2" and resi 2    and name HD# )  2.50  0.40  0.30
assi (segid "   2" and resi 1    and name HA# ) (resi 39   and name HE1 )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HA  ) (segid "   2" and resi 4    and name HD2 )  2.50  0.40  0.30
assi (segid "   2" and resi 3    and name HB2 ) (resi 28   and name HD# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HB2 ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HD1 ) (resi 28   and name HD# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HD1 ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HG# ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HA  ) (resi 39   and name HZ2 )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HA  ) (resi 39   and name HH2 )  4.00  2.20  0.75
assi (segid "   2" and resi 3    and name HD2 ) (resi 39   and name HZ2 )  5.00  3.20  0.75
assi (segid "   2" and resi 4    and name HA  ) (segid "   2" and resi 5    and name HB# )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 30   and name HB2 )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 30   and name HG  )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 30   and name HD1#)  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 30   and name HA  )  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 30   and name HB2 )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 30   and name HG  )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 30   and name HD1#)  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 32   and name HA  )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 32   and name HA  )  3.50  1.20  0.40
assi (segid "   2" and resi 5    and name HD# ) (resi 35   and name HA  )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 35   and name HB# )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 35   and name HA  )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 35   and name HB# )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HB# ) (resi 36   and name HA  )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HA  ) (resi 37   and name HG2#)  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HB# ) (resi 37   and name HG2#)  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 37   and name HG2#)  4.00  2.20  0.75
assi (resi 7    and name HD1#) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 29   and name HE# or resi 29   and name HZ  )  3.50  1.70  0.40
assi (resi 19   and name HA  ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 19   and name HB1 ) (resi 29   and name HE# or resi 29   and name HZ  )  3.50  1.70  0.40
assi (resi 19   and name HB2 ) (resi 29   and name HE# or resi 29   and name HZ  )  3.50  1.70  0.40
assi (resi 19   and name HG2 ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 19   and name HE# ) (resi 29   and name HE# or resi 29   and name HZ  )  4.00  2.20  0.75
assi (resi 27   and name HB1 ) (resi 29   and name HE# or resi 29   and name HZ  )  3.50  1.70  0.40
assi (resi 27   and name HB2 ) (resi 29   and name HE# or resi 29   and name HZ  )  4.00  2.20  0.75
assi (resi 27   and name HG2 ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 28   and name HA  ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assign ( resid  32  and name  n   )( resid  16  and name  o   )  2.9 0.3 0.5
assign ( resid  32  and name  hn  )( resid  16  and name  o   )  1.9 0.5 0.1
assign ( resid  22  and name  n   )( resid  26  and name  o   )  2.9 0.3 0.5
assign ( resid  22  and name  hn  )( resid  26  and name  o   )  1.9 0.5 0.1
assign ( resid  36  and name  n   )( resid  31  and name  o   )  2.9 0.3 0.5
assign ( resid  36  and name  hn  )( resid  31  and name  o   )  1.9 0.5 0.1
assign ( resid  31  and name  n   )( resid  36  and name  o   )  2.9 0.3 0.5
assign ( resid  31  and name  hn  )( resid  36  and name  o   )  1.9 0.5 0.1
assign ( resid  18  and name  n   )( resid  30  and name  o   )  2.9 0.3 0.5
assign ( resid  18  and name  o   )( resid  30  and name  n   )  2.9 0.3 0.5
assign ( resid  18  and name  hn  )( resid  30  and name  o   )  1.9 0.5 0.1
assign ( resid  18  and name  o   )( resid  30  and name  hn  )  1.9 0.5 0.1
assign ( resid  20  and name  n   )( resid  28  and name  o   )  2.9 0.3 0.5
assign ( resid  20  and name  o   )( resid  28  and name  n   )  2.9 0.3 0.5
assign ( resid  20  and name  hn  )( resid  28  and name  o   )  1.9 0.5 0.1
assign ( resid  20  and name  o   )( resid  28  and name  hn  )  1.9 0.5 0.1
assign ( resid  29  and name  n   )( resid  38  and name  o   )  2.9 0.3 0.5
assign ( resid  29  and name  o   )( resid  38  and name  n   )  2.9 0.3 0.5
assign ( resid  29  and name  hn  )( resid  38  and name  o   )  1.9 0.5 0.1
assign ( resid  29  and name  o   )( resid  38  and name  hn  )  1.9 0.5 0.1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PHE   5           H        PHE   5  10.584  -4.226  -2.765
    2    HA   PHE   5           HA       PHE   5  10.599  -6.686  -4.481
    3   1HB   PHE   5          1HB       PHE   5  12.677  -5.420  -2.784
    4   2HB   PHE   5          2HB       PHE   5  12.530  -7.171  -2.623
    5    HD1  PHE   5           HD1      PHE   5  13.985  -4.559  -4.516
    6    HD2  PHE   5           HD2      PHE   5  12.314  -8.497  -4.905
    7    HE1  PHE   5           HE1      PHE   5  15.194  -4.860  -6.660
    8    HE2  PHE   5           HE2      PHE   5  13.522  -8.798  -7.049
    9    HZ   PHE   5           HZ       PHE   5  14.962  -6.979  -7.927
   10    H    GLU   6           H        GLU   6  10.789  -8.672  -2.813
   11    HA   GLU   6           HA       GLU   6   9.615  -9.924  -1.187
   12   1HB   GLU   6          1HB       GLU   6  10.600  -7.415  -0.063
   13   2HB   GLU   6          2HB       GLU   6   9.195  -8.019   0.816
   14   1HG   GLU   6          1HG       GLU   6  10.714  -9.322   1.902
   15   2HG   GLU   6          2HG       GLU   6  10.636 -10.321   0.451
   16    H    ILE   7           H        ILE   7   7.852  -9.298  -3.095
   17    HA   ILE   7           HA       ILE   7   5.344  -8.920  -1.655
   18    HB   ILE   7           HB       ILE   7   6.201  -6.606  -1.845
   19   1HG1  ILE   7          1HG1      ILE   7   4.246  -5.681  -3.208
   20   2HG1  ILE   7          2HG1      ILE   7   3.831  -7.356  -3.574
   21   1HG2  ILE   7          1HG2      ILE   7   7.133  -5.788  -3.742
   22   2HG2  ILE   7          2HG2      ILE   7   5.858  -6.458  -4.759
   23   3HG2  ILE   7          3HG2      ILE   7   7.215  -7.470  -4.265
   24   1HD1  ILE   7          1HD1      ILE   7   3.124  -7.787  -1.439
   25   2HD1  ILE   7          2HD1      ILE   7   2.871  -6.042  -1.411
   26   3HD1  ILE   7          3HD1      ILE   7   4.338  -6.731  -0.714
   27    HA   PRO   8           HA       PRO   8   5.274 -11.201  -5.725
   28   1HB   PRO   8          1HB       PRO   8   4.306 -13.562  -4.737
   29   2HB   PRO   8          2HB       PRO   8   6.037 -13.189  -4.827
   30   1HG   PRO   8          1HG       PRO   8   4.185 -13.070  -2.497
   31   2HG   PRO   8          2HG       PRO   8   5.872 -13.599  -2.569
   32   1HD   PRO   8          1HD       PRO   8   5.079 -11.151  -1.638
   33   2HD   PRO   8          2HD       PRO   8   6.676 -11.467  -2.347
   34    H    ASP   9           H        ASP   9   3.198 -12.419  -6.595
   35    HA   ASP   9           HA       ASP   9   0.822 -10.874  -5.647
   36   1HB   ASP   9          1HB       ASP   9   1.653 -12.209  -8.229
   37   2HB   ASP   9          2HB       ASP   9  -0.003 -11.661  -7.965
   38    H    ASP  10           H        ASP  10   1.828 -13.379  -4.345
   39    HA   ASP  10           HA       ASP  10   0.282 -15.659  -5.093
   40   1HB   ASP  10          1HB       ASP  10   2.187 -14.939  -3.203
   41   2HB   ASP  10          2HB       ASP  10   0.766 -15.302  -2.222
   42    H    VAL  11           H        VAL  11  -0.551 -12.758  -3.306
   43    HA   VAL  11           HA       VAL  11  -3.360 -13.754  -3.098
   44    HB   VAL  11           HB       VAL  11  -2.228 -14.177  -0.962
   45   1HG1  VAL  11          1HG1      VAL  11  -1.084 -12.466   0.256
   46   2HG1  VAL  11          2HG1      VAL  11  -1.678 -11.206  -0.824
   47   3HG1  VAL  11          3HG1      VAL  11  -0.479 -12.364  -1.397
   48   1HG2  VAL  11          1HG2      VAL  11  -4.497 -13.551  -0.656
   49   2HG2  VAL  11          2HG2      VAL  11  -4.168 -11.864  -1.049
   50   3HG2  VAL  11          3HG2      VAL  11  -3.603 -12.540   0.479
   51    HA   PRO  12           HA       PRO  12  -4.119  -9.679  -4.645
   52   1HB   PRO  12          1HB       PRO  12  -6.781  -9.475  -4.029
   53   2HB   PRO  12          2HB       PRO  12  -6.174 -10.471  -5.362
   54   1HG   PRO  12          1HG       PRO  12  -7.003 -11.264  -2.613
   55   2HG   PRO  12          2HG       PRO  12  -7.306 -12.072  -4.157
   56   1HD   PRO  12          1HD       PRO  12  -5.378 -12.865  -2.403
   57   2HD   PRO  12          2HD       PRO  12  -5.256 -13.108  -4.157
   58    H    LEU  13           H        LEU  13  -5.974  -7.864  -3.476
   59    HA   LEU  13           HA       LEU  13  -4.530  -7.183  -0.958
   60   1HB   LEU  13          1HB       LEU  13  -5.602  -5.796  -3.269
   61   2HB   LEU  13          2HB       LEU  13  -6.245  -5.102  -1.782
   62    HG   LEU  13           HG       LEU  13  -3.522  -5.554  -1.257
   63   1HD1  LEU  13          1HD1      LEU  13  -2.955  -5.824  -3.561
   64   2HD1  LEU  13          2HD1      LEU  13  -2.532  -4.159  -3.160
   65   3HD1  LEU  13          3HD1      LEU  13  -4.016  -4.503  -4.049
   66   1HD2  LEU  13          1HD2      LEU  13  -4.004  -3.539  -0.372
   67   2HD2  LEU  13          2HD2      LEU  13  -5.426  -3.380  -1.404
   68   3HD2  LEU  13          3HD2      LEU  13  -3.849  -2.854  -1.988
   69    HA   PRO  14           HA       PRO  14  -8.260  -7.565   1.374
   70   1HB   PRO  14          1HB       PRO  14  -8.259  -5.363   2.996
   71   2HB   PRO  14          2HB       PRO  14  -7.106  -6.696   3.171
   72   1HG   PRO  14          1HG       PRO  14  -6.684  -3.981   2.167
   73   2HG   PRO  14          2HG       PRO  14  -5.512  -5.145   2.785
   74   1HD   PRO  14          1HD       PRO  14  -6.089  -4.483   0.058
   75   2HD   PRO  14          2HD       PRO  14  -4.898  -5.647   0.674
   76    H    ALA  15           H        ALA  15 -10.487  -6.848   1.631
   77    HA   ALA  15           HA       ALA  15 -11.542  -5.317  -0.571
   78   1HB   ALA  15          1HB       ALA  15 -13.588  -5.483   1.177
   79   2HB   ALA  15          2HB       ALA  15 -12.505  -6.671   1.905
   80   3HB   ALA  15          3HB       ALA  15 -13.042  -6.871   0.237
   81    H    GLY  16           H        GLY  16 -12.673  -3.251  -0.429
   82   1HA   GLY  16          1HA       GLY  16 -12.787  -0.989   0.203
   83   2HA   GLY  16          2HA       GLY  16 -12.845  -1.600   1.856
   84    H    TRP  17           H        TRP  17 -10.252  -1.764  -0.599
   85    HA   TRP  17           HA       TRP  17  -8.561   0.013   1.082
   86   1HB   TRP  17          1HB       TRP  17  -8.431  -2.917   0.862
   87   2HB   TRP  17          2HB       TRP  17  -6.891  -2.123   0.542
   88    HD1  TRP  17           HD1      TRP  17  -9.516  -2.579   3.284
   89    HE1  TRP  17           HE1      TRP  17  -8.466  -1.909   5.544
   90    HE3  TRP  17           HE3      TRP  17  -5.068  -0.688   1.656
   91    HZ2  TRP  17           HZ2      TRP  17  -6.049  -0.728   6.526
   92    HZ3  TRP  17           HZ3      TRP  17  -3.410   0.200   3.266
   93    HH2  TRP  17           HH2      TRP  17  -3.894   0.182   5.699
   94    H    GLU  18           H        GLU  18  -8.385   1.469  -0.722
   95    HA   GLU  18           HA       GLU  18  -7.639   0.502  -3.383
   96   1HB   GLU  18          1HB       GLU  18  -8.914   2.670  -2.588
   97   2HB   GLU  18          2HB       GLU  18  -7.289   3.326  -2.377
   98   1HG   GLU  18          1HG       GLU  18  -7.143   3.717  -4.579
   99   2HG   GLU  18          2HG       GLU  18  -7.379   2.000  -4.906
  100    H    MET  19           H        MET  19  -5.565   1.899  -4.265
  101    HA   MET  19           HA       MET  19  -3.361   1.815  -2.280
  102   1HB   MET  19          1HB       MET  19  -2.050   0.387  -3.819
  103   2HB   MET  19          2HB       MET  19  -3.487  -0.423  -3.231
  104   1HG   MET  19          1HG       MET  19  -3.688   1.120  -5.780
  105   2HG   MET  19          2HG       MET  19  -2.876  -0.445  -5.813
  106   1HE   MET  19          1HE       MET  19  -5.205  -3.017  -4.795
  107   2HE   MET  19          2HE       MET  19  -4.963  -2.048  -3.344
  108   3HE   MET  19          3HE       MET  19  -3.629  -2.281  -4.471
  109    H    ALA  20           H        ALA  20  -1.333   2.735  -3.333
  110    HA   ALA  20           HA       ALA  20  -1.553   4.207  -5.816
  111   1HB   ALA  20          1HB       ALA  20  -2.939   5.776  -4.880
  112   2HB   ALA  20          2HB       ALA  20  -1.437   6.414  -4.208
  113   3HB   ALA  20          3HB       ALA  20  -2.460   5.356  -3.237
  114    H    LYS  21           H        LYS  21   0.480   5.165  -6.350
  115    HA   LYS  21           HA       LYS  21   2.701   4.371  -4.528
  116   1HB   LYS  21          1HB       LYS  21   4.047   4.538  -6.580
  117   2HB   LYS  21          2HB       LYS  21   2.617   3.550  -6.874
  118   1HG   LYS  21          1HG       LYS  21   2.190   4.919  -8.621
  119   2HG   LYS  21          2HG       LYS  21   1.756   6.142  -7.429
  120   1HD   LYS  21          1HD       LYS  21   3.630   7.347  -7.835
  121   2HD   LYS  21          2HD       LYS  21   4.652   5.909  -7.820
  122   1HE   LYS  21          1HE       LYS  21   4.809   6.115 -10.077
  123   2HE   LYS  21          2HE       LYS  21   3.085   5.708 -10.169
  124   1HZ   LYS  21          1HZ       LYS  21   4.338   8.386  -9.932
  125   2HZ   LYS  21          2HZ       LYS  21   2.708   8.127  -9.527
  126   3HZ   LYS  21          3HZ       LYS  21   3.248   7.839 -11.112
  127    H    THR  22           H        THR  22   3.781   5.932  -3.409
  128    HA   THR  22           HA       THR  22   3.386   8.785  -4.247
  129    HB   THR  22           HB       THR  22   2.496   8.071  -2.042
  130    HG1  THR  22           HG1      THR  22   3.295  10.179  -2.265
  131   1HG2  THR  22          1HG2      THR  22   4.212   7.507  -0.270
  132   2HG2  THR  22          2HG2      THR  22   5.390   7.325  -1.570
  133   3HG2  THR  22          3HG2      THR  22   3.983   6.263  -1.498
  134    H    SER  23           H        SER  23   5.575   6.600  -4.945
  135    HA   SER  23           HA       SER  23   7.776   8.449  -5.178
  136   1HB   SER  23          1HB       SER  23   7.388   7.302  -2.641
  137   2HB   SER  23          2HB       SER  23   8.727   6.398  -3.350
  138    HG   SER  23           HG       SER  23   9.793   8.333  -3.724
  139    H    SER  24           H        SER  24   9.872   6.464  -4.966
  140    HA   SER  24           HA       SER  24   9.678   5.206  -7.542
  141   1HB   SER  24          1HB       SER  24  11.545   5.516  -5.319
  142   2HB   SER  24          2HB       SER  24  11.664   3.916  -6.052
  143    HG   SER  24           HG       SER  24  12.884   5.019  -7.394
  144    H    GLY  25           H        GLY  25   7.506   4.117  -7.045
  145   1HA   GLY  25          1HA       GLY  25   6.510   1.958  -6.978
  146   2HA   GLY  25          2HA       GLY  25   8.010   1.313  -6.316
  147    H    GLN  26           H        GLN  26   6.904   4.141  -4.716
  148    HA   GLN  26           HA       GLN  26   6.495   2.694  -2.241
  149   1HB   GLN  26          1HB       GLN  26   7.292   5.135  -2.779
  150   2HB   GLN  26          2HB       GLN  26   5.567   5.505  -2.795
  151   1HG   GLN  26          1HG       GLN  26   6.211   5.886  -0.550
  152   2HG   GLN  26          2HG       GLN  26   5.486   4.279  -0.518
  153   1HE2  GLN  26          1HE2      GLN  26   8.744   5.733  -1.127
  154   2HE2  GLN  26          2HE2      GLN  26   9.594   4.537  -0.272
  155    H    ARG  27           H        ARG  27   4.793   1.318  -3.628
  156    HA   ARG  27           HA       ARG  27   2.166   2.347  -4.127
  157   1HB   ARG  27          1HB       ARG  27   1.569  -0.143  -3.903
  158   2HB   ARG  27          2HB       ARG  27   2.797   0.243  -5.095
  159   1HG   ARG  27          1HG       ARG  27   4.382  -0.926  -3.979
  160   2HG   ARG  27          2HG       ARG  27   3.926  -0.196  -2.440
  161   1HD   ARG  27          1HD       ARG  27   2.896  -2.097  -1.845
  162   2HD   ARG  27          2HD       ARG  27   1.825  -1.968  -3.251
  163    HE   ARG  27           HE       ARG  27   4.244  -3.610  -3.076
  164   1HH1  ARG  27          1HH1      ARG  27   2.080  -1.870  -5.176
  165   2HH1  ARG  27          2HH1      ARG  27   2.498  -2.810  -6.566
  166   1HH2  ARG  27          1HH2      ARG  27   4.768  -4.816  -4.894
  167   2HH2  ARG  27          2HH2      ARG  27   4.008  -4.467  -6.410
  168    H    TYR  28           H        TYR  28   2.043   3.656  -1.995
  169    HA   TYR  28           HA       TYR  28   1.629   2.180   0.468
  170   1HB   TYR  28          1HB       TYR  28   1.084   4.341   1.373
  171   2HB   TYR  28          2HB       TYR  28   2.346   4.620   0.177
  172    HD1  TYR  28           HD1      TYR  28  -1.260   4.900   0.885
  173    HD2  TYR  28           HD2      TYR  28   1.893   5.790  -1.885
  174    HE1  TYR  28           HE1      TYR  28  -2.765   6.429  -0.335
  175    HE2  TYR  28           HE2      TYR  28   0.384   7.320  -3.111
  176    HH   TYR  28           HH       TYR  28  -2.331   8.577  -1.912
  177    H    PHE  29           H        PHE  29  -0.306   1.428   1.306
  178    HA   PHE  29           HA       PHE  29  -2.457   1.214  -0.684
  179   1HB   PHE  29          1HB       PHE  29  -1.661  -0.187   1.847
  180   2HB   PHE  29          2HB       PHE  29  -3.227  -0.501   1.076
  181    HD1  PHE  29           HD1      PHE  29   0.281  -1.278   0.986
  182    HD2  PHE  29           HD2      PHE  29  -3.202  -0.828  -1.460
  183    HE1  PHE  29           HE1      PHE  29   1.379  -2.566  -0.822
  184    HE2  PHE  29           HE2      PHE  29  -2.112  -2.112  -3.278
  185    HZ   PHE  29           HZ       PHE  29   0.186  -2.980  -2.960
  186    H    LEU  30           H        LEU  30  -4.287   2.185  -0.617
  187    HA   LEU  30           HA       LEU  30  -4.882   4.199   1.432
  188   1HB   LEU  30          1HB       LEU  30  -5.738   3.350  -1.301
  189   2HB   LEU  30          2HB       LEU  30  -6.825   4.398  -0.381
  190    HG   LEU  30           HG       LEU  30  -3.898   4.962  -0.910
  191   1HD1  LEU  30          1HD1      LEU  30  -5.315   5.023  -2.966
  192   2HD1  LEU  30          2HD1      LEU  30  -4.690   6.615  -2.530
  193   3HD1  LEU  30          3HD1      LEU  30  -6.366   6.197  -2.174
  194   1HD2  LEU  30          1HD2      LEU  30  -6.159   6.496   0.401
  195   2HD2  LEU  30          2HD2      LEU  30  -4.700   7.295  -0.182
  196   3HD2  LEU  30          3HD2      LEU  30  -4.592   6.081   1.090
  197    H    ASN  31           H        ASN  31  -5.819   3.276   3.278
  198    HA   ASN  31           HA       ASN  31  -7.654   1.018   3.167
  199   1HB   ASN  31          1HB       ASN  31  -6.120   1.710   5.067
  200   2HB   ASN  31          2HB       ASN  31  -7.208   3.066   5.361
  201   1HD2  ASN  31          1HD2      ASN  31  -7.135   1.502   7.512
  202   2HD2  ASN  31          2HD2      ASN  31  -8.449   0.431   7.604
  203    H    HIS  32           H        HIS  32  -9.708   1.273   2.344
  204    HA   HIS  32           HA       HIS  32 -10.980   3.912   2.205
  205   1HB   HIS  32          1HB       HIS  32 -11.138   1.350   0.958
  206   2HB   HIS  32          2HB       HIS  32 -12.735   1.719   1.608
  207    HD1  HIS  32           HD1      HIS  32 -13.981   3.777   0.639
  208    HD2  HIS  32           HD2      HIS  32 -10.253   3.111  -1.106
  209    HE1  HIS  32           HE1      HIS  32 -13.880   5.249  -1.420
  210    H    ILE  33           H        ILE  33 -11.857   0.796   3.766
  211    HA   ILE  33           HA       ILE  33 -14.127   1.639   5.186
  212    HB   ILE  33           HB       ILE  33 -13.464  -0.225   6.747
  213   1HG1  ILE  33          1HG1      ILE  33 -11.101  -0.800   5.026
  214   2HG1  ILE  33          2HG1      ILE  33 -10.917   0.481   6.224
  215   1HG2  ILE  33          1HG2      ILE  33 -13.504  -0.434   3.770
  216   2HG2  ILE  33          2HG2      ILE  33 -14.617  -1.112   4.958
  217   3HG2  ILE  33          3HG2      ILE  33 -13.053  -1.876   4.680
  218   1HD1  ILE  33          1HD1      ILE  33 -11.811  -1.125   7.954
  219   2HD1  ILE  33          2HD1      ILE  33 -10.257  -1.598   7.268
  220   3HD1  ILE  33          3HD1      ILE  33 -11.737  -2.393   6.730
  221    H    ASP  34           H        ASP  34 -10.771   2.411   5.772
  222    HA   ASP  34           HA       ASP  34 -11.561   3.808   8.308
  223   1HB   ASP  34          1HB       ASP  34  -9.819   1.755   8.035
  224   2HB   ASP  34          2HB       ASP  34  -8.725   3.108   7.749
  225    H    GLN  35           H        GLN  35 -10.555   4.267   5.097
  226    HA   GLN  35           HA       GLN  35  -9.749   6.153   3.936
  227   1HB   GLN  35          1HB       GLN  35 -10.699   7.491   6.489
  228   2HB   GLN  35          2HB       GLN  35 -10.490   8.273   4.923
  229   1HG   GLN  35          1HG       GLN  35 -12.107   6.240   4.187
  230   2HG   GLN  35          2HG       GLN  35 -12.641   6.443   5.855
  231   1HE2  GLN  35          1HE2      GLN  35 -13.296   7.512   2.765
  232   2HE2  GLN  35          2HE2      GLN  35 -13.966   9.028   3.132
  233    H    THR  36           H        THR  36  -7.532   5.095   4.495
  234    HA   THR  36           HA       THR  36  -5.822   7.198   5.679
  235    HB   THR  36           HB       THR  36  -5.205   4.549   6.794
  236    HG1  THR  36           HG1      THR  36  -7.489   5.868   7.796
  237   1HG2  THR  36          1HG2      THR  36  -4.066   6.101   7.983
  238   2HG2  THR  36          2HG2      THR  36  -5.579   6.308   8.866
  239   3HG2  THR  36          3HG2      THR  36  -5.180   7.393   7.534
  240    H    THR  37           H        THR  37  -3.424   6.371   5.549
  241    HA   THR  37           HA       THR  37  -3.089   4.665   3.100
  242    HB   THR  37           HB       THR  37  -1.383   6.241   2.359
  243    HG1  THR  37           HG1      THR  37  -0.875   8.024   3.634
  244   1HG2  THR  37          1HG2      THR  37  -3.142   8.397   2.984
  245   2HG2  THR  37          2HG2      THR  37  -4.125   6.954   2.753
  246   3HG2  THR  37          3HG2      THR  37  -3.031   7.484   1.479
  247    H    THR  38           H        THR  38  -1.498   3.096   3.301
  248    HA   THR  38           HA       THR  38   0.531   3.360   5.464
  249    HB   THR  38           HB       THR  38  -1.407   2.222   6.452
  250    HG1  THR  38           HG1      THR  38   0.690   1.459   6.970
  251   1HG2  THR  38          1HG2      THR  38  -2.574   1.356   4.585
  252   2HG2  THR  38          2HG2      THR  38  -1.980  -0.073   5.431
  253   3HG2  THR  38          3HG2      THR  38  -1.151   0.505   3.986
  254    H    TRP  39           H        TRP  39   2.452   2.228   4.974
  255    HA   TRP  39           HA       TRP  39   3.016   1.649   2.227
  256   1HB   TRP  39          1HB       TRP  39   4.460   0.690   4.722
  257   2HB   TRP  39          2HB       TRP  39   5.164   0.917   3.122
  258    HD1  TRP  39           HD1      TRP  39   5.248   2.551   6.246
  259    HE1  TRP  39           HE1      TRP  39   5.558   5.102   6.049
  260    HE3  TRP  39           HE3      TRP  39   4.039   3.212   1.328
  261    HZ2  TRP  39           HZ2      TRP  39   5.324   7.152   4.069
  262    HZ3  TRP  39           HZ3      TRP  39   4.091   5.472   0.315
  263    HH2  TRP  39           HH2      TRP  39   4.731   7.442   1.676
  264    H    GLN  40           H        GLN  40   4.418  -0.802   2.335
  265    HA   GLN  40           HA       GLN  40   2.486  -2.717   1.623
  266   1HB   GLN  40          1HB       GLN  40   5.345  -2.673   2.461
  267   2HB   GLN  40          2HB       GLN  40   4.551  -4.247   2.455
  268   1HG   GLN  40          1HG       GLN  40   5.200  -4.203   0.250
  269   2HG   GLN  40          2HG       GLN  40   3.679  -3.329   0.081
  270   1HE2  GLN  40          1HE2      GLN  40   6.627  -3.125  -1.152
  271   2HE2  GLN  40          2HE2      GLN  40   6.887  -1.449  -1.152
  272    H    ASP  41           H        ASP  41   1.398  -4.349   2.780
  273    HA   ASP  41           HA       ASP  41   1.944  -5.075   5.505
  274   1HB   ASP  41          1HB       ASP  41   0.384  -2.651   4.978
  275   2HB   ASP  41          2HB       ASP  41  -0.475  -3.799   6.005
  276    HA   PRO  42           HA       PRO  42  -2.307  -6.872   4.315
  277   1HB   PRO  42          1HB       PRO  42  -3.589  -5.911   2.097
  278   2HB   PRO  42          2HB       PRO  42  -3.804  -5.216   3.714
  279   1HG   PRO  42          1HG       PRO  42  -2.125  -4.264   1.443
  280   2HG   PRO  42          2HG       PRO  42  -3.092  -3.335   2.597
  281   1HD   PRO  42          1HD       PRO  42  -0.380  -3.611   2.764
  282   2HD   PRO  42          2HD       PRO  42  -1.426  -3.322   4.168
  283    H    ARG  43           H        ARG  43  -0.664  -5.748   1.337
  284    HA   ARG  43           HA       ARG  43  -1.086  -8.073  -0.244
  285   1HB   ARG  43          1HB       ARG  43   0.907  -5.831  -0.109
  286   2HB   ARG  43          2HB       ARG  43   1.190  -7.158  -1.237
  287   1HG   ARG  43          1HG       ARG  43  -1.395  -5.579  -1.093
  288   2HG   ARG  43          2HG       ARG  43  -0.098  -5.243  -2.238
  289   1HD   ARG  43          1HD       ARG  43  -0.604  -8.038  -2.392
  290   2HD   ARG  43          2HD       ARG  43  -2.178  -7.222  -2.442
  291    HE   ARG  43           HE       ARG  43  -0.611  -5.667  -4.099
  292   1HH1  ARG  43          1HH1      ARG  43  -1.298  -9.076  -3.914
  293   2HH1  ARG  43          2HH1      ARG  43  -1.095  -9.321  -5.613
  294   1HH2  ARG  43          1HH2      ARG  43  -0.354  -6.011  -6.303
  295   2HH2  ARG  43          2HH2      ARG  43  -0.565  -7.601  -6.958
  296    H    LYS  44           H        LYS  44   2.034  -7.204   1.289
  297    HA   LYS  44           HA       LYS  44   2.861 -10.026   1.287
  298   1HB   LYS  44          1HB       LYS  44   4.964  -9.029   2.147
  299   2HB   LYS  44          2HB       LYS  44   4.383  -8.164   0.724
  300   1HG   LYS  44          1HG       LYS  44   4.133  -6.253   1.896
  301   2HG   LYS  44          2HG       LYS  44   3.224  -7.080   3.162
  302   1HD   LYS  44          1HD       LYS  44   6.096  -7.722   3.156
  303   2HD   LYS  44          2HD       LYS  44   5.751  -6.022   3.472
  304   1HE   LYS  44          1HE       LYS  44   5.450  -6.752   5.631
  305   2HE   LYS  44          2HE       LYS  44   3.856  -7.257   5.038
  306   1HZ   LYS  44          1HZ       LYS  44   4.647  -9.407   4.575
  307   2HZ   LYS  44          2HZ       LYS  44   5.292  -9.045   6.105
  308   3HZ   LYS  44          3HZ       LYS  44   6.273  -8.947   4.721
  309    H    GLY   3           H        GLY   3   6.352   8.337   6.939
  310   1HA   GLY   3          1HA       GLY   3   4.640  10.642   7.646
  311   2HA   GLY   3          2HA       GLY   3   5.789  10.892   6.334
  312    HA   PRO   4           HA       PRO   4   2.423   7.703   5.000
  313   1HB   PRO   4          1HB       PRO   4  -0.063   8.339   5.950
  314   2HB   PRO   4          2HB       PRO   4   1.024   7.203   6.770
  315   1HG   PRO   4          1HG       PRO   4   0.445  10.059   7.381
  316   2HG   PRO   4          2HG       PRO   4   0.720   8.703   8.484
  317   1HD   PRO   4          1HD       PRO   4   2.607  10.599   7.879
  318   2HD   PRO   4          2HD       PRO   4   2.993   8.950   8.410
  319    HA   PRO   5           HA       PRO   5   1.406  10.829   2.015
  320   1HB   PRO   5          1HB       PRO   5   0.179   9.238   0.158
  321   2HB   PRO   5          2HB       PRO   5   1.938   9.281   0.383
  322   1HG   PRO   5          1HG       PRO   5  -0.055   7.286   1.342
  323   2HG   PRO   5          2HG       PRO   5   1.589   7.037   0.737
  324   1HD   PRO   5          1HD       PRO   5   0.910   7.010   3.391
  325   2HD   PRO   5          2HD       PRO   5   2.530   7.414   2.786
  326    HA   PRO   6           HA       PRO   6  -2.818  11.851   2.756
  327   1HB   PRO   6          1HB       PRO   6  -3.514  13.181   0.469
  328   2HB   PRO   6          2HB       PRO   6  -2.442  13.873   1.701
  329   1HG   PRO   6          1HG       PRO   6  -1.770  12.604  -0.910
  330   2HG   PRO   6          2HG       PRO   6  -1.038  14.006  -0.117
  331   1HD   PRO   6          1HD       PRO   6   0.070  11.503  -0.121
  332   2HD   PRO   6          2HD       PRO   6   0.365  12.712   1.146
  333    H    TYR   7           H        TYR   7  -5.045  11.904   1.231
  334    HA   TYR   7           HA       TYR   7  -5.182   9.167   0.005
  335   1HB   TYR   7          1HB       TYR   7  -6.359   9.904   2.265
  336   2HB   TYR   7          2HB       TYR   7  -7.542  10.613   1.165
  337    HD1  TYR   7           HD1      TYR   7  -7.771   8.825  -1.046
  338    HD2  TYR   7           HD2      TYR   7  -7.144   7.868   3.095
  339    HE1  TYR   7           HE1      TYR   7  -8.777   6.590  -1.410
  340    HE2  TYR   7           HE2      TYR   7  -8.149   5.634   2.729
  341    HH   TYR   7           HH       TYR   7  -9.993   4.750   0.753
  342   1HN   NH2   8          1HN       NH2   8  -7.044  12.276  -0.065
  343   2HN   NH2   8          2HN       NH2   8  -7.293  12.263  -1.744
  344   1H1   OCT   2          1H1       OCT   2   6.699   9.623   9.434
  345   2H1   OCT   2          2H1       OCT   2   7.256  10.758   8.191
  346   1H2   OCT   2          1H2       OCT   2   8.426   8.566   7.226
  347   2H2   OCT   2          2H2       OCT   2   8.324   8.044   8.908
  348   1H3   OCT   2          1H3       OCT   2   9.489  10.108   9.611
  349   2H3   OCT   2          2H3       OCT   2   9.595  10.620   7.926
  350   1H4   OCT   2          1H4       OCT   2  10.588   7.936   8.135
  351   2H4   OCT   2          2H4       OCT   2  11.385   8.928   9.358
  352   1H5   OCT   2          1H5       OCT   2  11.095  10.097   6.628
  353   2H5   OCT   2          2H5       OCT   2  12.273   8.801   6.826
  354   1H6   OCT   2          1H6       OCT   2  12.623  10.497   9.052
  355   2H6   OCT   2          2H6       OCT   2  12.450  11.568   7.661
  356   1H7   OCT   2          1H7       OCT   2  14.319   9.182   7.733
  357   2H7   OCT   2          2H7       OCT   2  14.821  10.833   8.102
  358   1H8   OCT   2          1H8       OCT   2  13.753   9.759   5.481
  359   2H8   OCT   2          2H8       OCT   2  15.331  10.485   5.788
  360   3H8   OCT   2          3H8       OCT   2  13.879  11.485   5.821
  Start of MODEL    2
    1    H    PHE   5           H        PHE   5  10.927 -13.353  -0.155
    2    HA   PHE   5           HA       PHE   5  10.243 -14.808  -2.651
    3   1HB   PHE   5          1HB       PHE   5   9.253 -15.180  -0.305
    4   2HB   PHE   5          2HB       PHE   5   8.398 -13.657  -0.546
    5    HD1  PHE   5           HD1      PHE   5   8.293 -17.167  -1.082
    6    HD2  PHE   5           HD2      PHE   5   7.076 -13.426  -2.807
    7    HE1  PHE   5           HE1      PHE   5   6.570 -18.346  -2.422
    8    HE2  PHE   5           HE2      PHE   5   5.354 -14.603  -4.147
    9    HZ   PHE   5           HZ       PHE   5   5.100 -17.063  -3.955
   10    H    GLU   6           H        GLU   6  10.074 -11.576  -1.244
   11    HA   GLU   6           HA       GLU   6   9.425  -9.509  -2.191
   12   1HB   GLU   6          1HB       GLU   6  10.813 -11.147  -4.116
   13   2HB   GLU   6          2HB       GLU   6   9.615 -10.157  -4.948
   14   1HG   GLU   6          1HG       GLU   6  10.506  -8.141  -3.844
   15   2HG   GLU   6          2HG       GLU   6  11.695  -9.128  -2.994
   16    H    ILE   7           H        ILE   7   7.198  -9.400  -1.717
   17    HA   ILE   7           HA       ILE   7   5.095 -10.920  -2.787
   18    HB   ILE   7           HB       ILE   7   4.955  -9.295  -0.929
   19   1HG1  ILE   7          1HG1      ILE   7   3.112  -8.646  -3.255
   20   2HG1  ILE   7          2HG1      ILE   7   2.879  -9.948  -2.088
   21   1HG2  ILE   7          1HG2      ILE   7   4.795  -6.865  -1.503
   22   2HG2  ILE   7          2HG2      ILE   7   5.255  -7.261  -3.160
   23   3HG2  ILE   7          3HG2      ILE   7   6.388  -7.544  -1.839
   24   1HD1  ILE   7          1HD1      ILE   7   1.559  -7.839  -1.601
   25   2HD1  ILE   7          2HD1      ILE   7   3.098  -7.033  -1.298
   26   3HD1  ILE   7          3HD1      ILE   7   2.595  -8.383  -0.282
   27    HA   PRO   8           HA       PRO   8   5.064  -9.648  -7.033
   28   1HB   PRO   8          1HB       PRO   8   2.557 -10.510  -7.708
   29   2HB   PRO   8          2HB       PRO   8   3.932 -11.611  -7.490
   30   1HG   PRO   8          1HG       PRO   8   1.685 -10.985  -5.641
   31   2HG   PRO   8          2HG       PRO   8   2.499 -12.525  -5.945
   32   1HD   PRO   8          1HD       PRO   8   2.975 -10.935  -3.762
   33   2HD   PRO   8          2HD       PRO   8   4.152 -12.086  -4.428
   34    H    ASP   9           H        ASP   9   4.303  -7.846  -8.209
   35    HA   ASP   9           HA       ASP   9   3.081  -5.684  -6.805
   36   1HB   ASP   9          1HB       ASP   9   4.558  -5.756  -8.916
   37   2HB   ASP   9          2HB       ASP   9   3.072  -6.104  -9.799
   38    H    ASP  10           H        ASP  10   1.697  -8.417  -8.449
   39    HA   ASP  10           HA       ASP  10  -0.945  -7.156  -8.805
   40   1HB   ASP  10          1HB       ASP  10   0.433  -9.069 -10.127
   41   2HB   ASP  10          2HB       ASP  10  -0.510 -10.092  -9.043
   42    H    VAL  11           H        VAL  11  -1.171  -6.696  -6.415
   43    HA   VAL  11           HA       VAL  11  -1.858  -9.145  -4.837
   44    HB   VAL  11           HB       VAL  11  -1.575  -7.539  -2.897
   45   1HG1  VAL  11          1HG1      VAL  11   0.353  -8.761  -3.109
   46   2HG1  VAL  11          2HG1      VAL  11   1.012  -7.197  -3.587
   47   3HG1  VAL  11          3HG1      VAL  11   0.537  -8.368  -4.818
   48   1HG2  VAL  11          1HG2      VAL  11  -2.009  -5.502  -4.394
   49   2HG2  VAL  11          2HG2      VAL  11  -0.350  -5.700  -4.961
   50   3HG2  VAL  11          3HG2      VAL  11  -0.667  -5.365  -3.259
   51    HA   PRO  12           HA       PRO  12  -6.062  -7.758  -5.223
   52   1HB   PRO  12          1HB       PRO  12  -7.204  -9.502  -3.457
   53   2HB   PRO  12          2HB       PRO  12  -6.674  -9.978  -5.082
   54   1HG   PRO  12          1HG       PRO  12  -5.372 -10.421  -2.449
   55   2HG   PRO  12          2HG       PRO  12  -5.412 -11.462  -3.878
   56   1HD   PRO  12          1HD       PRO  12  -3.275  -9.879  -3.130
   57   2HD   PRO  12          2HD       PRO  12  -3.562 -10.486  -4.774
   58    H    LEU  13           H        LEU  13  -4.228  -7.722  -2.276
   59    HA   LEU  13           HA       LEU  13  -4.472  -6.446  -0.296
   60   1HB   LEU  13          1HB       LEU  13  -5.699  -4.964  -2.561
   61   2HB   LEU  13          2HB       LEU  13  -6.131  -4.384  -0.957
   62    HG   LEU  13           HG       LEU  13  -4.092  -3.267  -1.896
   63   1HD1  LEU  13          1HD1      LEU  13  -2.775  -3.432   0.129
   64   2HD1  LEU  13          2HD1      LEU  13  -3.487  -4.997   0.518
   65   3HD1  LEU  13          3HD1      LEU  13  -4.477  -3.538   0.570
   66   1HD2  LEU  13          1HD2      LEU  13  -2.421  -5.644  -1.360
   67   2HD2  LEU  13          2HD2      LEU  13  -2.277  -4.429  -2.630
   68   3HD2  LEU  13          3HD2      LEU  13  -3.428  -5.753  -2.802
   69    HA   PRO  14           HA       PRO  14  -8.339  -7.525   1.516
   70   1HB   PRO  14          1HB       PRO  14  -8.700  -5.618   3.444
   71   2HB   PRO  14          2HB       PRO  14  -7.461  -6.879   3.546
   72   1HG   PRO  14          1HG       PRO  14  -7.177  -4.015   3.003
   73   2HG   PRO  14          2HG       PRO  14  -5.988  -5.168   3.605
   74   1HD   PRO  14          1HD       PRO  14  -6.257  -4.147   0.955
   75   2HD   PRO  14          2HD       PRO  14  -5.093  -5.351   1.542
   76    H    ALA  15           H        ALA  15 -10.634  -6.718   2.046
   77    HA   ALA  15           HA       ALA  15 -11.749  -5.336  -0.207
   78   1HB   ALA  15          1HB       ALA  15 -12.874  -7.033   1.222
   79   2HB   ALA  15          2HB       ALA  15 -13.824  -5.553   1.094
   80   3HB   ALA  15          3HB       ALA  15 -12.889  -5.878   2.553
   81    H    GLY  16           H        GLY  16 -12.660  -3.221  -0.319
   82   1HA   GLY  16          1HA       GLY  16 -12.711  -0.912   0.090
   83   2HA   GLY  16          2HA       GLY  16 -12.828  -1.350   1.794
   84    H    TRP  17           H        TRP  17 -10.198  -1.774  -0.606
   85    HA   TRP  17           HA       TRP  17  -8.493   0.054   1.008
   86   1HB   TRP  17          1HB       TRP  17  -8.383  -2.884   0.913
   87   2HB   TRP  17          2HB       TRP  17  -6.839  -2.113   0.570
   88    HD1  TRP  17           HD1      TRP  17  -9.429  -2.545   3.327
   89    HE1  TRP  17           HE1      TRP  17  -8.415  -1.728   5.553
   90    HE3  TRP  17           HE3      TRP  17  -5.104  -0.463   1.605
   91    HZ2  TRP  17           HZ2      TRP  17  -6.069  -0.369   6.477
   92    HZ3  TRP  17           HZ3      TRP  17  -3.499   0.584   3.171
   93    HH2  TRP  17           HH2      TRP  17  -3.973   0.635   5.603
   94    H    GLU  18           H        GLU  18  -8.198   1.450  -0.785
   95    HA   GLU  18           HA       GLU  18  -7.466   0.388  -3.426
   96   1HB   GLU  18          1HB       GLU  18  -8.753   2.574  -2.727
   97   2HB   GLU  18          2HB       GLU  18  -7.138   3.241  -2.490
   98   1HG   GLU  18          1HG       GLU  18  -6.928   3.574  -4.697
   99   2HG   GLU  18          2HG       GLU  18  -7.168   1.850  -4.988
  100    H    MET  19           H        MET  19  -5.363   1.779  -4.310
  101    HA   MET  19           HA       MET  19  -3.199   1.709  -2.281
  102   1HB   MET  19          1HB       MET  19  -1.869   0.255  -3.775
  103   2HB   MET  19          2HB       MET  19  -3.325  -0.537  -3.204
  104   1HG   MET  19          1HG       MET  19  -3.468   0.986  -5.772
  105   2HG   MET  19          2HG       MET  19  -2.663  -0.582  -5.781
  106   1HE   MET  19          1HE       MET  19  -3.437  -2.434  -4.506
  107   2HE   MET  19          2HE       MET  19  -5.022  -3.143  -4.800
  108   3HE   MET  19          3HE       MET  19  -4.752  -2.176  -3.354
  109    H    ALA  20           H        ALA  20  -1.163   2.654  -3.237
  110    HA   ALA  20           HA       ALA  20  -1.284   4.066  -5.764
  111   1HB   ALA  20          1HB       ALA  20  -1.268   6.306  -4.199
  112   2HB   ALA  20          2HB       ALA  20  -2.322   5.255  -3.254
  113   3HB   ALA  20          3HB       ALA  20  -2.728   5.636  -4.927
  114    H    LYS  21           H        LYS  21   0.722   5.127  -6.209
  115    HA   LYS  21           HA       LYS  21   2.925   4.370  -4.358
  116   1HB   LYS  21          1HB       LYS  21   2.614   5.036  -7.275
  117   2HB   LYS  21          2HB       LYS  21   4.208   5.138  -6.526
  118   1HG   LYS  21          1HG       LYS  21   4.325   2.858  -6.144
  119   2HG   LYS  21          2HG       LYS  21   2.575   2.681  -6.027
  120   1HD   LYS  21          1HD       LYS  21   2.528   3.275  -8.536
  121   2HD   LYS  21          2HD       LYS  21   4.264   2.969  -8.515
  122   1HE   LYS  21          1HE       LYS  21   3.929   0.681  -7.808
  123   2HE   LYS  21          2HE       LYS  21   2.200   0.967  -7.537
  124   1HZ   LYS  21          1HZ       LYS  21   2.485  -0.003  -9.704
  125   2HZ   LYS  21          2HZ       LYS  21   3.661   1.149 -10.123
  126   3HZ   LYS  21          3HZ       LYS  21   2.043   1.622  -9.907
  127    H    THR  22           H        THR  22   3.699   5.964  -3.020
  128    HA   THR  22           HA       THR  22   3.044   8.796  -3.656
  129    HB   THR  22           HB       THR  22   2.609   7.944  -1.415
  130    HG1  THR  22           HG1      THR  22   3.524  10.101  -1.749
  131   1HG2  THR  22          1HG2      THR  22   4.869   7.453  -0.089
  132   2HG2  THR  22          2HG2      THR  22   5.414   6.972  -1.695
  133   3HG2  THR  22          3HG2      THR  22   4.017   6.180  -0.965
  134    H    SER  23           H        SER  23   5.166   7.228  -5.152
  135    HA   SER  23           HA       SER  23   7.113   9.297  -5.453
  136   1HB   SER  23          1HB       SER  23   7.539   7.282  -3.318
  137   2HB   SER  23          2HB       SER  23   8.931   7.566  -4.363
  138    HG   SER  23           HG       SER  23   8.942   9.025  -2.647
  139    H    SER  24           H        SER  24   8.081   5.906  -5.201
  140    HA   SER  24           HA       SER  24   7.952   5.672  -8.189
  141   1HB   SER  24          1HB       SER  24  10.145   4.968  -6.213
  142   2HB   SER  24          2HB       SER  24  10.132   4.369  -7.871
  143    HG   SER  24           HG       SER  24  10.832   6.228  -8.497
  144    H    GLY  25           H        GLY  25   9.095   3.397  -5.718
  145   1HA   GLY  25          1HA       GLY  25   6.931   1.524  -6.557
  146   2HA   GLY  25          2HA       GLY  25   8.438   1.040  -5.778
  147    H    GLN  26           H        GLN  26   7.055   3.880  -4.445
  148    HA   GLN  26           HA       GLN  26   6.562   2.548  -1.905
  149   1HB   GLN  26          1HB       GLN  26   6.459   5.310  -3.061
  150   2HB   GLN  26          2HB       GLN  26   5.656   5.013  -1.521
  151   1HG   GLN  26          1HG       GLN  26   7.712   5.389  -0.625
  152   2HG   GLN  26          2HG       GLN  26   8.047   3.736  -1.136
  153   1HE2  GLN  26          1HE2      GLN  26   9.524   6.620  -1.179
  154   2HE2  GLN  26          2HE2      GLN  26  10.316   6.558  -2.679
  155    H    ARG  27           H        ARG  27   4.922   1.163  -3.384
  156    HA   ARG  27           HA       ARG  27   2.314   2.218  -3.978
  157   1HB   ARG  27          1HB       ARG  27   1.695  -0.275  -3.778
  158   2HB   ARG  27          2HB       ARG  27   2.945   0.112  -4.944
  159   1HG   ARG  27          1HG       ARG  27   4.516  -1.054  -3.798
  160   2HG   ARG  27          2HG       ARG  27   4.009  -0.354  -2.261
  161   1HD   ARG  27          1HD       ARG  27   3.018  -2.294  -1.739
  162   2HD   ARG  27          2HD       ARG  27   1.926  -2.096  -3.120
  163    HE   ARG  27           HE       ARG  27   4.442  -2.962  -4.121
  164   1HH1  ARG  27          1HH1      ARG  27   1.840  -4.134  -2.126
  165   2HH1  ARG  27          2HH1      ARG  27   2.107  -5.787  -2.560
  166   1HH2  ARG  27          1HH2      ARG  27   4.767  -5.114  -4.668
  167   2HH2  ARG  27          2HH2      ARG  27   3.750  -6.339  -3.988
  168    H    TYR  28           H        TYR  28   2.200   3.503  -1.815
  169    HA   TYR  28           HA       TYR  28   1.689   2.006   0.614
  170   1HB   TYR  28          1HB       TYR  28   1.164   4.170   1.531
  171   2HB   TYR  28          2HB       TYR  28   2.466   4.432   0.372
  172    HD1  TYR  28           HD1      TYR  28  -1.164   4.745   0.957
  173    HD2  TYR  28           HD2      TYR  28   2.106   5.668  -1.661
  174    HE1  TYR  28           HE1      TYR  28  -2.606   6.314  -0.290
  175    HE2  TYR  28           HE2      TYR  28   0.663   7.238  -2.913
  176    HH   TYR  28           HH       TYR  28  -1.527   8.646  -2.257
  177    H    PHE  29           H        PHE  29  -0.269   1.249   1.375
  178    HA   PHE  29           HA       PHE  29  -2.374   1.112  -0.661
  179   1HB   PHE  29          1HB       PHE  29  -1.707  -0.305   1.901
  180   2HB   PHE  29          2HB       PHE  29  -3.245  -0.585   1.064
  181    HD1  PHE  29           HD1      PHE  29   0.316  -1.272   1.060
  182    HD2  PHE  29           HD2      PHE  29  -3.181  -1.088  -1.412
  183    HE1  PHE  29           HE1      PHE  29   1.478  -2.576  -0.693
  184    HE2  PHE  29           HE2      PHE  29  -2.023  -2.392  -3.170
  185    HZ   PHE  29           HZ       PHE  29   0.315  -3.136  -2.812
  186    H    LEU  30           H        LEU  30  -4.149   2.163  -0.669
  187    HA   LEU  30           HA       LEU  30  -4.753   4.220   1.316
  188   1HB   LEU  30          1HB       LEU  30  -5.593   3.293  -1.397
  189   2HB   LEU  30          2HB       LEU  30  -6.686   4.374  -0.523
  190    HG   LEU  30           HG       LEU  30  -3.746   4.912  -1.011
  191   1HD1  LEU  30          1HD1      LEU  30  -5.297   6.776  -2.408
  192   2HD1  LEU  30          2HD1      LEU  30  -6.085   5.229  -2.722
  193   3HD1  LEU  30          3HD1      LEU  30  -4.378   5.446  -3.113
  194   1HD2  LEU  30          1HD2      LEU  30  -6.046   6.538   0.116
  195   2HD2  LEU  30          2HD2      LEU  30  -4.523   7.264  -0.398
  196   3HD2  LEU  30          3HD2      LEU  30  -4.544   6.102   0.927
  197    H    ASN  31           H        ASN  31  -5.840   3.554   3.153
  198    HA   ASN  31           HA       ASN  31  -7.641   1.248   3.167
  199   1HB   ASN  31          1HB       ASN  31  -6.132   2.117   5.039
  200   2HB   ASN  31          2HB       ASN  31  -7.287   3.435   5.237
  201   1HD2  ASN  31          1HD2      ASN  31  -7.219   2.036   7.480
  202   2HD2  ASN  31          2HD2      ASN  31  -8.471   0.897   7.607
  203    H    HIS  32           H        HIS  32  -9.677   1.448   2.284
  204    HA   HIS  32           HA       HIS  32 -10.953   4.087   2.013
  205   1HB   HIS  32          1HB       HIS  32 -10.990   1.566   0.734
  206   2HB   HIS  32          2HB       HIS  32 -12.611   1.796   1.388
  207    HD1  HIS  32           HD1      HIS  32 -14.063   3.639   0.361
  208    HD2  HIS  32           HD2      HIS  32 -10.189   3.578  -1.178
  209    HE1  HIS  32           HE1      HIS  32 -14.059   5.203  -1.632
  210    H    ILE  33           H        ILE  33 -11.763   0.990   3.633
  211    HA   ILE  33           HA       ILE  33 -14.136   1.799   4.927
  212    HB   ILE  33           HB       ILE  33 -13.511  -0.041   6.521
  213   1HG1  ILE  33          1HG1      ILE  33 -11.063  -0.654   4.973
  214   2HG1  ILE  33          2HG1      ILE  33 -10.941   0.746   6.039
  215   1HG2  ILE  33          1HG2      ILE  33 -12.665  -1.164   3.930
  216   2HG2  ILE  33          2HG2      ILE  33 -14.137  -0.195   3.853
  217   3HG2  ILE  33          3HG2      ILE  33 -14.051  -1.581   4.939
  218   1HD1  ILE  33          1HD1      ILE  33 -12.305  -1.263   7.501
  219   2HD1  ILE  33          2HD1      ILE  33 -10.673  -0.653   7.781
  220   3HD1  ILE  33          3HD1      ILE  33 -10.926  -2.050   6.734
  221    H    ASP  34           H        ASP  34 -10.834   2.692   5.588
  222    HA   ASP  34           HA       ASP  34 -11.756   4.147   8.047
  223   1HB   ASP  34          1HB       ASP  34 -10.037   2.011   7.928
  224   2HB   ASP  34          2HB       ASP  34  -8.916   3.370   7.853
  225    H    GLN  35           H        GLN  35 -10.576   4.502   4.917
  226    HA   GLN  35           HA       GLN  35  -9.573   6.309   3.778
  227   1HB   GLN  35          1HB       GLN  35 -10.539   7.733   6.278
  228   2HB   GLN  35          2HB       GLN  35 -10.204   8.486   4.719
  229   1HG   GLN  35          1HG       GLN  35 -11.937   6.457   4.027
  230   2HG   GLN  35          2HG       GLN  35 -12.562   6.961   5.597
  231   1HE2  GLN  35          1HE2      GLN  35 -13.893   7.461   3.025
  232   2HE2  GLN  35          2HE2      GLN  35 -13.971   9.144   2.828
  233    H    THR  36           H        THR  36  -7.441   5.169   4.362
  234    HA   THR  36           HA       THR  36  -5.676   7.123   5.714
  235    HB   THR  36           HB       THR  36  -5.432   4.295   6.641
  236    HG1  THR  36           HG1      THR  36  -7.125   4.436   7.977
  237   1HG2  THR  36          1HG2      THR  36  -5.414   6.427   8.616
  238   2HG2  THR  36          2HG2      THR  36  -4.310   6.771   7.284
  239   3HG2  THR  36          3HG2      THR  36  -4.144   5.275   8.204
  240    H    THR  37           H        THR  37  -3.322   5.943   5.736
  241    HA   THR  37           HA       THR  37  -2.979   4.450   3.163
  242    HB   THR  37           HB       THR  37  -1.177   5.984   2.557
  243    HG1  THR  37           HG1      THR  37  -0.452   6.434   4.653
  244   1HG2  THR  37          1HG2      THR  37  -2.612   7.519   1.734
  245   2HG2  THR  37          2HG2      THR  37  -3.071   8.067   3.345
  246   3HG2  THR  37          3HG2      THR  37  -3.863   6.667   2.632
  247    H    THR  38           H        THR  38  -1.439   2.818   3.326
  248    HA   THR  38           HA       THR  38   0.359   2.838   5.724
  249    HB   THR  38           HB       THR  38  -1.671   1.409   6.034
  250    HG1  THR  38           HG1      THR  38  -0.409   0.119   7.079
  251   1HG2  THR  38          1HG2      THR  38  -1.598   0.878   3.439
  252   2HG2  THR  38          2HG2      THR  38  -2.250  -0.300   4.578
  253   3HG2  THR  38          3HG2      THR  38  -0.604  -0.479   3.970
  254    H    TRP  39           H        TRP  39   2.110   1.032   5.382
  255    HA   TRP  39           HA       TRP  39   3.060   1.227   2.546
  256   1HB   TRP  39          1HB       TRP  39   4.598   0.678   5.108
  257   2HB   TRP  39          2HB       TRP  39   5.289   1.040   3.528
  258    HD1  TRP  39           HD1      TRP  39   4.077   2.655   6.638
  259    HE1  TRP  39           HE1      TRP  39   4.059   5.219   6.370
  260    HE3  TRP  39           HE3      TRP  39   4.784   3.021   1.593
  261    HZ2  TRP  39           HZ2      TRP  39   4.309   7.167   4.292
  262    HZ3  TRP  39           HZ3      TRP  39   4.890   5.242   0.498
  263    HH2  TRP  39           HH2      TRP  39   4.653   7.314   1.839
  264    H    GLN  40           H        GLN  40   3.653  -1.013   5.283
  265    HA   GLN  40           HA       GLN  40   4.141  -3.298   3.637
  266   1HB   GLN  40          1HB       GLN  40   3.254  -2.909   6.509
  267   2HB   GLN  40          2HB       GLN  40   3.703  -4.483   5.852
  268   1HG   GLN  40          1HG       GLN  40   5.935  -3.695   5.334
  269   2HG   GLN  40          2HG       GLN  40   5.500  -2.042   5.774
  270   1HE2  GLN  40          1HE2      GLN  40   5.003  -5.235   7.402
  271   2HE2  GLN  40          2HE2      GLN  40   5.672  -4.744   8.883
  272    H    ASP  41           H        ASP  41   2.590  -4.069   2.233
  273    HA   ASP  41           HA       ASP  41  -0.189  -3.689   2.334
  274   1HB   ASP  41          1HB       ASP  41  -0.228  -5.640   0.805
  275   2HB   ASP  41          2HB       ASP  41   1.114  -4.559   0.425
  276    HA   PRO  42           HA       PRO  42  -1.321  -6.237   5.798
  277   1HB   PRO  42          1HB       PRO  42  -4.017  -6.347   5.339
  278   2HB   PRO  42          2HB       PRO  42  -3.208  -4.916   6.007
  279   1HG   PRO  42          1HG       PRO  42  -4.109  -5.463   3.218
  280   2HG   PRO  42          2HG       PRO  42  -4.190  -3.962   4.153
  281   1HD   PRO  42          1HD       PRO  42  -2.302  -4.453   2.246
  282   2HD   PRO  42          2HD       PRO  42  -2.031  -3.384   3.637
  283    H    ARG  43           H        ARG  43  -2.296  -6.976   2.490
  284    HA   ARG  43           HA       ARG  43  -3.387  -9.554   2.756
  285   1HB   ARG  43          1HB       ARG  43  -3.219  -8.202   0.684
  286   2HB   ARG  43          2HB       ARG  43  -1.476  -8.472   0.657
  287   1HG   ARG  43          1HG       ARG  43  -2.630 -11.027   0.935
  288   2HG   ARG  43          2HG       ARG  43  -3.604 -10.201  -0.281
  289   1HD   ARG  43          1HD       ARG  43  -1.888 -10.171  -1.800
  290   2HD   ARG  43          2HD       ARG  43  -0.673  -9.824  -0.555
  291    HE   ARG  43           HE       ARG  43  -0.359 -12.155  -0.317
  292   1HH1  ARG  43          1HH1      ARG  43  -3.419 -11.476  -1.834
  293   2HH1  ARG  43          2HH1      ARG  43  -3.775 -13.146  -2.112
  294   1HH2  ARG  43          1HH2      ARG  43  -0.846 -14.316  -0.689
  295   2HH2  ARG  43          2HH2      ARG  43  -2.333 -14.743  -1.470
  296    H    LYS  44           H        LYS  44   0.043  -8.927   1.904
  297    HA   LYS  44           HA       LYS  44   0.974 -11.564   2.393
  298   1HB   LYS  44          1HB       LYS  44   2.106  -9.651   1.187
  299   2HB   LYS  44          2HB       LYS  44   2.470  -8.950   2.764
  300   1HG   LYS  44          1HG       LYS  44   4.398 -10.234   2.030
  301   2HG   LYS  44          2HG       LYS  44   3.640 -11.087   3.373
  302   1HD   LYS  44          1HD       LYS  44   3.422 -12.901   2.060
  303   2HD   LYS  44          2HD       LYS  44   2.354 -11.978   1.002
  304   1HE   LYS  44          1HE       LYS  44   4.775 -11.017   0.196
  305   2HE   LYS  44          2HE       LYS  44   5.215 -12.678   0.642
  306   1HZ   LYS  44          1HZ       LYS  44   4.408 -12.739  -1.586
  307   2HZ   LYS  44          2HZ       LYS  44   3.043 -11.806  -1.193
  308   3HZ   LYS  44          3HZ       LYS  44   3.187 -13.396  -0.609
  309    H    GLY   3           H        GLY   3   6.627   9.344   7.248
  310   1HA   GLY   3          1HA       GLY   3   4.498  10.130   8.066
  311   2HA   GLY   3          2HA       GLY   3   4.635  11.527   6.997
  312    HA   PRO   4           HA       PRO   4   2.283   7.876   5.022
  313   1HB   PRO   4          1HB       PRO   4  -0.300   8.461   5.716
  314   2HB   PRO   4          2HB       PRO   4   0.732   7.371   6.661
  315   1HG   PRO   4          1HG       PRO   4   0.037  10.228   7.144
  316   2HG   PRO   4          2HG       PRO   4   0.214   8.901   8.300
  317   1HD   PRO   4          1HD       PRO   4   2.126  10.808   7.873
  318   2HD   PRO   4          2HD       PRO   4   2.486   9.163   8.439
  319    HA   PRO   5           HA       PRO   5   1.457  10.860   1.856
  320   1HB   PRO   5          1HB       PRO   5   0.322   9.205  -0.007
  321   2HB   PRO   5          2HB       PRO   5   2.064   9.241   0.325
  322   1HG   PRO   5          1HG       PRO   5  -0.007   7.310   1.247
  323   2HG   PRO   5          2HG       PRO   5   1.665   7.019   0.749
  324   1HD   PRO   5          1HD       PRO   5   0.840   7.107   3.357
  325   2HD   PRO   5          2HD       PRO   5   2.493   7.482   2.829
  326    HA   PRO   6           HA       PRO   6  -2.787  11.976   2.274
  327   1HB   PRO   6          1HB       PRO   6  -3.335  13.165  -0.128
  328   2HB   PRO   6          2HB       PRO   6  -2.324  13.922   1.116
  329   1HG   PRO   6          1HG       PRO   6  -1.526  12.480  -1.366
  330   2HG   PRO   6          2HG       PRO   6  -0.821  13.924  -0.627
  331   1HD   PRO   6          1HD       PRO   6   0.255  11.418  -0.405
  332   2HD   PRO   6          2HD       PRO   6   0.488  12.701   0.800
  333    H    TYR   7           H        TYR   7  -4.954  11.917   0.738
  334    HA   TYR   7           HA       TYR   7  -5.069   9.121  -0.343
  335   1HB   TYR   7          1HB       TYR   7  -6.371  10.110   1.771
  336   2HB   TYR   7          2HB       TYR   7  -7.482  10.664   0.519
  337    HD1  TYR   7           HD1      TYR   7  -7.773   8.713  -1.431
  338    HD2  TYR   7           HD2      TYR   7  -6.958   8.081   2.740
  339    HE1  TYR   7           HE1      TYR   7  -8.734   6.433  -1.588
  340    HE2  TYR   7           HE2      TYR   7  -7.916   5.803   2.581
  341    HH   TYR   7           HH       TYR   7  -8.477   4.147   1.047
  342   1HN   NH2   8          1HN       NH2   8  -5.106   9.226  -2.619
  343   2HN   NH2   8          2HN       NH2   8  -5.984  10.363  -3.525
  344   1H1   OCT   2          1H1       OCT   2   6.453  12.217   6.398
  345   2H1   OCT   2          2H1       OCT   2   7.869  11.217   6.020
  346   1H2   OCT   2          1H2       OCT   2   7.758  10.710   8.636
  347   2H2   OCT   2          2H2       OCT   2   6.932  12.268   8.673
  348   1H3   OCT   2          1H3       OCT   2   9.652  11.760   7.427
  349   2H3   OCT   2          2H3       OCT   2   9.379  12.519   8.996
  350   1H4   OCT   2          1H4       OCT   2   8.453  14.446   8.041
  351   2H4   OCT   2          2H4       OCT   2   8.029  13.619   6.542
  352   1H5   OCT   2          1H5       OCT   2  10.822  13.368   6.768
  353   2H5   OCT   2          2H5       OCT   2  10.467  15.034   7.224
  354   1H6   OCT   2          1H6       OCT   2  10.707  15.115   4.869
  355   2H6   OCT   2          2H6       OCT   2   8.962  15.083   5.122
  356   1H7   OCT   2          1H7       OCT   2  10.115  12.399   4.996
  357   2H7   OCT   2          2H7       OCT   2  10.416  13.324   3.523
  358   1H8   OCT   2          1H8       OCT   2   8.086  11.966   4.072
  359   2H8   OCT   2          2H8       OCT   2   8.221  13.304   2.932
  360   3H8   OCT   2          3H8       OCT   2   7.680  13.604   4.583
  Start of MODEL    3
    1    H    PHE   5           H        PHE   5  12.296 -11.576  -3.729
    2    HA   PHE   5           HA       PHE   5  11.706 -13.101  -1.235
    3   1HB   PHE   5          1HB       PHE   5  13.807 -11.231  -2.253
    4   2HB   PHE   5          2HB       PHE   5  13.521 -11.265  -0.513
    5    HD1  PHE   5           HD1      PHE   5  13.600 -13.833  -3.258
    6    HD2  PHE   5           HD2      PHE   5  14.997 -12.651   0.628
    7    HE1  PHE   5           HE1      PHE   5  14.895 -15.939  -3.084
    8    HE2  PHE   5           HE2      PHE   5  16.292 -14.758   0.803
    9    HZ   PHE   5           HZ       PHE   5  16.242 -16.402  -1.054
   10    H    GLU   6           H        GLU   6  11.276  -9.928  -2.743
   11    HA   GLU   6           HA       GLU   6  10.210  -8.665  -0.330
   12   1HB   GLU   6          1HB       GLU   6  10.884  -8.016  -3.113
   13   2HB   GLU   6          2HB       GLU   6   9.451  -7.165  -2.535
   14   1HG   GLU   6          1HG       GLU   6  10.631  -6.115  -0.789
   15   2HG   GLU   6          2HG       GLU   6  11.944  -7.291  -0.846
   16    H    ILE   7           H        ILE   7   8.605  -8.995  -3.504
   17    HA   ILE   7           HA       ILE   7   6.322 -10.447  -2.405
   18    HB   ILE   7           HB       ILE   7   6.052  -8.171  -1.454
   19   1HG1  ILE   7          1HG1      ILE   7   4.080  -8.829  -3.668
   20   2HG1  ILE   7          2HG1      ILE   7   4.042  -9.479  -2.030
   21   1HG2  ILE   7          1HG2      ILE   7   5.961  -6.235  -2.779
   22   2HG2  ILE   7          2HG2      ILE   7   5.639  -7.145  -4.255
   23   3HG2  ILE   7          3HG2      ILE   7   7.252  -7.162  -3.546
   24   1HD1  ILE   7          1HD1      ILE   7   2.747  -7.710  -1.486
   25   2HD1  ILE   7          2HD1      ILE   7   3.088  -6.906  -3.017
   26   3HD1  ILE   7          3HD1      ILE   7   4.194  -6.717  -1.658
   27    HA   PRO   8           HA       PRO   8   6.100 -11.217  -6.761
   28   1HB   PRO   8          1HB       PRO   8   3.666 -12.468  -6.843
   29   2HB   PRO   8          2HB       PRO   8   5.137 -13.253  -6.236
   30   1HG   PRO   8          1HG       PRO   8   2.882 -12.017  -4.734
   31   2HG   PRO   8          2HG       PRO   8   3.811 -13.478  -4.372
   32   1HD   PRO   8          1HD       PRO   8   4.209 -11.069  -3.137
   33   2HD   PRO   8          2HD       PRO   8   5.469 -12.306  -3.317
   34    H    ASP   9           H        ASP   9   4.377 -10.850  -8.594
   35    HA   ASP   9           HA       ASP   9   3.007  -8.239  -8.052
   36   1HB   ASP   9          1HB       ASP   9   4.959  -8.953  -9.870
   37   2HB   ASP   9          2HB       ASP   9   3.487  -9.076 -10.834
   38    H    ASP  10           H        ASP  10   2.015 -11.178  -7.812
   39    HA   ASP  10           HA       ASP  10  -0.436 -10.789  -9.495
   40   1HB   ASP  10          1HB       ASP  10   1.219 -13.277  -8.974
   41   2HB   ASP  10          2HB       ASP  10  -0.370 -13.309  -9.738
   42    H    VAL  11           H        VAL  11  -0.646  -9.836  -7.009
   43    HA   VAL  11           HA       VAL  11  -2.144 -11.967  -5.535
   44    HB   VAL  11           HB       VAL  11  -1.151 -10.974  -3.443
   45   1HG1  VAL  11          1HG1      VAL  11   1.144 -11.932  -3.840
   46   2HG1  VAL  11          2HG1      VAL  11   0.732 -12.073  -5.548
   47   3HG1  VAL  11          3HG1      VAL  11  -0.168 -12.995  -4.345
   48   1HG2  VAL  11          1HG2      VAL  11  -0.592  -8.761  -4.314
   49   2HG2  VAL  11          2HG2      VAL  11   0.528  -9.473  -5.476
   50   3HG2  VAL  11          3HG2      VAL  11   0.880  -9.553  -3.751
   51    HA   PRO  12           HA       PRO  12  -5.191  -8.740  -5.536
   52   1HB   PRO  12          1HB       PRO  12  -6.928  -9.830  -3.722
   53   2HB   PRO  12          2HB       PRO  12  -6.774 -10.421  -5.383
   54   1HG   PRO  12          1HG       PRO  12  -5.639 -11.509  -2.857
   55   2HG   PRO  12          2HG       PRO  12  -6.322 -12.364  -4.246
   56   1HD   PRO  12          1HD       PRO  12  -3.637 -12.096  -3.787
   57   2HD   PRO  12          2HD       PRO  12  -4.345 -12.316  -5.401
   58    H    LEU  13           H        LEU  13  -6.696  -8.026  -3.247
   59    HA   LEU  13           HA       LEU  13  -4.700  -7.305  -1.152
   60   1HB   LEU  13          1HB       LEU  13  -5.618  -5.648  -3.281
   61   2HB   LEU  13          2HB       LEU  13  -6.356  -5.041  -1.800
   62    HG   LEU  13           HG       LEU  13  -3.808  -5.522  -0.943
   63   1HD1  LEU  13          1HD1      LEU  13  -3.654  -4.647  -3.842
   64   2HD1  LEU  13          2HD1      LEU  13  -3.011  -6.142  -3.165
   65   3HD1  LEU  13          3HD1      LEU  13  -2.305  -4.593  -2.707
   66   1HD2  LEU  13          1HD2      LEU  13  -5.446  -3.253  -1.630
   67   2HD2  LEU  13          2HD2      LEU  13  -3.767  -2.915  -2.045
   68   3HD2  LEU  13          3HD2      LEU  13  -4.190  -3.372  -0.397
   69    HA   PRO  14           HA       PRO  14  -8.267  -7.529   1.442
   70   1HB   PRO  14          1HB       PRO  14  -8.195  -5.316   3.049
   71   2HB   PRO  14          2HB       PRO  14  -7.037  -6.648   3.180
   72   1HG   PRO  14          1HG       PRO  14  -6.674  -3.942   2.108
   73   2HG   PRO  14          2HG       PRO  14  -5.476  -5.075   2.735
   74   1HD   PRO  14          1HD       PRO  14  -6.074  -4.488   0.019
   75   2HD   PRO  14          2HD       PRO  14  -4.924  -5.690   0.635
   76    H    ALA  15           H        ALA  15 -10.480  -6.839   1.777
   77    HA   ALA  15           HA       ALA  15 -11.663  -5.368  -0.380
   78   1HB   ALA  15          1HB       ALA  15 -13.704  -5.606   1.080
   79   2HB   ALA  15          2HB       ALA  15 -12.654  -6.220   2.358
   80   3HB   ALA  15          3HB       ALA  15 -12.823  -7.116   0.849
   81    H    GLY  16           H        GLY  16 -12.640  -3.270  -0.353
   82   1HA   GLY  16          1HA       GLY  16 -12.712  -0.984   0.173
   83   2HA   GLY  16          2HA       GLY  16 -12.807  -1.515   1.851
   84    H    TRP  17           H        TRP  17 -10.196  -1.783  -0.585
   85    HA   TRP  17           HA       TRP  17  -8.498   0.011   1.067
   86   1HB   TRP  17          1HB       TRP  17  -8.380  -2.925   0.930
   87   2HB   TRP  17          2HB       TRP  17  -6.835  -2.145   0.609
   88    HD1  TRP  17           HD1      TRP  17  -9.480  -2.554   3.332
   89    HE1  TRP  17           HE1      TRP  17  -8.469  -1.802   5.581
   90    HE3  TRP  17           HE3      TRP  17  -5.046  -0.628   1.701
   91    HZ2  TRP  17           HZ2      TRP  17  -6.087  -0.550   6.559
   92    HZ3  TRP  17           HZ3      TRP  17  -3.424   0.335   3.308
   93    HH2  TRP  17           HH2      TRP  17  -3.938   0.376   5.732
   94    H    GLU  18           H        GLU  18  -8.313   1.414  -0.772
   95    HA   GLU  18           HA       GLU  18  -7.539   0.372  -3.398
   96   1HB   GLU  18          1HB       GLU  18  -8.853   2.542  -2.688
   97   2HB   GLU  18          2HB       GLU  18  -7.243   3.230  -2.469
   98   1HG   GLU  18          1HG       GLU  18  -7.063   3.563  -4.677
   99   2HG   GLU  18          2HG       GLU  18  -7.277   1.835  -4.963
  100    H    MET  19           H        MET  19  -5.471   1.787  -4.297
  101    HA   MET  19           HA       MET  19  -3.286   1.762  -2.289
  102   1HB   MET  19          1HB       MET  19  -1.947   0.318  -3.773
  103   2HB   MET  19          2HB       MET  19  -3.394  -0.493  -3.206
  104   1HG   MET  19          1HG       MET  19  -3.522   1.016  -5.790
  105   2HG   MET  19          2HG       MET  19  -2.727  -0.558  -5.773
  106   1HE   MET  19          1HE       MET  19  -3.546  -2.352  -4.394
  107   2HE   MET  19          2HE       MET  19  -5.105  -3.085  -4.764
  108   3HE   MET  19          3HE       MET  19  -4.931  -2.078  -3.330
  109    H    ALA  20           H        ALA  20  -1.267   2.705  -3.310
  110    HA   ALA  20           HA       ALA  20  -1.469   4.123  -5.828
  111   1HB   ALA  20          1HB       ALA  20  -2.357   5.332  -3.251
  112   2HB   ALA  20          2HB       ALA  20  -2.939   5.633  -4.888
  113   3HB   ALA  20          3HB       ALA  20  -1.435   6.373  -4.337
  114    H    LYS  21           H        LYS  21   0.546   5.173  -6.326
  115    HA   LYS  21           HA       LYS  21   2.770   4.368  -4.523
  116   1HB   LYS  21          1HB       LYS  21   4.124   4.763  -6.567
  117   2HB   LYS  21          2HB       LYS  21   2.778   3.670  -6.888
  118   1HG   LYS  21          1HG       LYS  21   2.083   5.066  -8.511
  119   2HG   LYS  21          2HG       LYS  21   1.798   6.303  -7.287
  120   1HD   LYS  21          1HD       LYS  21   3.319   7.241  -8.906
  121   2HD   LYS  21          2HD       LYS  21   4.255   6.894  -7.452
  122   1HE   LYS  21          1HE       LYS  21   5.065   4.794  -8.442
  123   2HE   LYS  21          2HE       LYS  21   4.076   5.079  -9.886
  124   1HZ   LYS  21          1HZ       LYS  21   6.390   5.889 -10.126
  125   2HZ   LYS  21          2HZ       LYS  21   6.127   6.964  -8.837
  126   3HZ   LYS  21          3HZ       LYS  21   5.244   7.130 -10.279
  127    H    THR  22           H        THR  22   3.990   5.888  -3.443
  128    HA   THR  22           HA       THR  22   3.516   8.772  -4.145
  129    HB   THR  22           HB       THR  22   2.359   8.031  -2.089
  130    HG1  THR  22           HG1      THR  22   3.349  10.134  -2.241
  131   1HG2  THR  22          1HG2      THR  22   5.153   7.331  -1.146
  132   2HG2  THR  22          2HG2      THR  22   3.875   6.175  -1.518
  133   3HG2  THR  22          3HG2      THR  22   3.693   7.281  -0.157
  134    H    SER  23           H        SER  23   5.805   6.600  -4.589
  135    HA   SER  23           HA       SER  23   7.988   8.480  -4.534
  136   1HB   SER  23          1HB       SER  23   7.352   6.968  -2.114
  137   2HB   SER  23          2HB       SER  23   9.011   6.701  -2.646
  138    HG   SER  23           HG       SER  23   7.796   9.243  -2.341
  139    H    SER  24           H        SER  24   7.368   6.984  -6.642
  140    HA   SER  24           HA       SER  24   8.107   5.287  -8.123
  141   1HB   SER  24          1HB       SER  24  10.149   6.804  -7.209
  142   2HB   SER  24          2HB       SER  24  10.697   5.222  -6.657
  143    HG   SER  24           HG       SER  24  11.412   5.656  -8.770
  144    H    GLY  25           H        GLY  25   6.774   3.540  -7.296
  145   1HA   GLY  25          1HA       GLY  25   6.746   1.222  -6.721
  146   2HA   GLY  25          2HA       GLY  25   8.344   1.400  -6.007
  147    H    GLN  26           H        GLN  26   6.985   3.951  -4.663
  148    HA   GLN  26           HA       GLN  26   6.489   2.635  -2.134
  149   1HB   GLN  26          1HB       GLN  26   6.963   5.235  -3.184
  150   2HB   GLN  26          2HB       GLN  26   5.445   5.316  -2.290
  151   1HG   GLN  26          1HG       GLN  26   6.939   5.666  -0.558
  152   2HG   GLN  26          2HG       GLN  26   6.826   3.907  -0.505
  153   1HE2  GLN  26          1HE2      GLN  26   8.448   3.050  -2.551
  154   2HE2  GLN  26          2HE2      GLN  26  10.035   3.618  -2.349
  155    H    ARG  27           H        ARG  27   4.790   1.245  -3.544
  156    HA   ARG  27           HA       ARG  27   2.189   2.322  -4.095
  157   1HB   ARG  27          1HB       ARG  27   1.552  -0.171  -3.848
  158   2HB   ARG  27          2HB       ARG  27   2.750   0.213  -5.070
  159   1HG   ARG  27          1HG       ARG  27   4.345  -0.992  -4.012
  160   2HG   ARG  27          2HG       ARG  27   3.959  -0.253  -2.458
  161   1HD   ARG  27          1HD       ARG  27   2.868  -2.114  -1.823
  162   2HD   ARG  27          2HD       ARG  27   1.812  -2.004  -3.243
  163    HE   ARG  27           HE       ARG  27   4.199  -3.676  -3.009
  164   1HH1  ARG  27          1HH1      ARG  27   2.131  -1.904  -5.176
  165   2HH1  ARG  27          2HH1      ARG  27   2.569  -2.857  -6.551
  166   1HH2  ARG  27          1HH2      ARG  27   4.751  -4.901  -4.808
  167   2HH2  ARG  27          2HH2      ARG  27   4.041  -4.542  -6.347
  168    H    TYR  28           H        TYR  28   2.091   3.630  -1.967
  169    HA   TYR  28           HA       TYR  28   1.641   2.182   0.498
  170   1HB   TYR  28          1HB       TYR  28   1.106   4.356   1.379
  171   2HB   TYR  28          2HB       TYR  28   2.368   4.620   0.180
  172    HD1  TYR  28           HD1      TYR  28   1.910   5.764  -1.903
  173    HD2  TYR  28           HD2      TYR  28  -1.234   4.924   0.891
  174    HE1  TYR  28           HE1      TYR  28   0.406   7.289  -3.139
  175    HE2  TYR  28           HE2      TYR  28  -2.736   6.450  -0.334
  176    HH   TYR  28           HH       TYR  28  -1.712   8.029  -3.353
  177    H    PHE  29           H        PHE  29  -0.262   1.378   1.294
  178    HA   PHE  29           HA       PHE  29  -2.419   1.165  -0.675
  179   1HB   PHE  29          1HB       PHE  29  -1.642  -0.183   1.893
  180   2HB   PHE  29          2HB       PHE  29  -3.202  -0.513   1.114
  181    HD1  PHE  29           HD1      PHE  29  -3.155  -0.900  -1.418
  182    HD2  PHE  29           HD2      PHE  29   0.308  -1.286   1.070
  183    HE1  PHE  29           HE1      PHE  29  -2.040  -2.206  -3.200
  184    HE2  PHE  29           HE2      PHE  29   1.421  -2.619  -0.697
  185    HZ   PHE  29           HZ       PHE  29   0.250  -3.073  -2.839
  186    H    LEU  30           H        LEU  30  -4.222   2.160  -0.652
  187    HA   LEU  30           HA       LEU  30  -4.826   4.229   1.334
  188   1HB   LEU  30          1HB       LEU  30  -5.718   3.289  -1.366
  189   2HB   LEU  30          2HB       LEU  30  -6.723   4.450  -0.491
  190    HG   LEU  30           HG       LEU  30  -3.764   4.883  -0.799
  191   1HD1  LEU  30          1HD1      LEU  30  -4.436   4.547  -3.068
  192   2HD1  LEU  30          2HD1      LEU  30  -4.384   6.294  -2.828
  193   3HD1  LEU  30          3HD1      LEU  30  -5.933   5.450  -2.830
  194   1HD2  LEU  30          1HD2      LEU  30  -4.557   7.275  -0.705
  195   2HD2  LEU  30          2HD2      LEU  30  -4.960   6.347   0.739
  196   3HD2  LEU  30          3HD2      LEU  30  -6.198   6.672  -0.474
  197    H    ASN  31           H        ASN  31  -5.797   3.384   3.193
  198    HA   ASN  31           HA       ASN  31  -7.631   1.125   3.143
  199   1HB   ASN  31          1HB       ASN  31  -6.117   1.895   5.032
  200   2HB   ASN  31          2HB       ASN  31  -7.217   3.252   5.267
  201   1HD2  ASN  31          1HD2      ASN  31  -6.888   1.378   7.358
  202   2HD2  ASN  31          2HD2      ASN  31  -8.309   0.464   7.521
  203    H    HIS  32           H        HIS  32  -9.687   1.333   2.319
  204    HA   HIS  32           HA       HIS  32 -10.962   3.969   2.078
  205   1HB   HIS  32          1HB       HIS  32 -11.147   1.307   0.968
  206   2HB   HIS  32          2HB       HIS  32 -12.747   1.856   1.462
  207    HD1  HIS  32           HD1      HIS  32 -13.896   3.467  -0.076
  208    HD2  HIS  32           HD2      HIS  32  -9.796   3.282  -0.815
  209    HE1  HIS  32           HE1      HIS  32 -13.475   4.873  -2.140
  210    H    ILE  33           H        ILE  33 -11.854   0.875   3.672
  211    HA   ILE  33           HA       ILE  33 -14.126   1.775   5.075
  212    HB   ILE  33           HB       ILE  33 -13.545  -0.128   6.606
  213   1HG1  ILE  33          1HG1      ILE  33 -11.110  -0.606   4.916
  214   2HG1  ILE  33          2HG1      ILE  33 -10.997   0.494   6.290
  215   1HG2  ILE  33          1HG2      ILE  33 -13.733  -0.215   3.682
  216   2HG2  ILE  33          2HG2      ILE  33 -14.583  -1.176   4.890
  217   3HG2  ILE  33          3HG2      ILE  33 -12.968  -1.650   4.365
  218   1HD1  ILE  33          1HD1      ILE  33 -12.102  -1.387   7.659
  219   2HD1  ILE  33          2HD1      ILE  33 -10.424  -1.634   7.177
  220   3HD1  ILE  33          3HD1      ILE  33 -11.722  -2.438   6.295
  221    H    ASP  34           H        ASP  34 -10.756   2.453   5.646
  222    HA   ASP  34           HA       ASP  34 -11.475   3.811   8.224
  223   1HB   ASP  34          1HB       ASP  34  -9.785   1.752   7.911
  224   2HB   ASP  34          2HB       ASP  34  -8.669   3.062   7.527
  225    H    GLN  35           H        GLN  35 -10.511   4.326   4.998
  226    HA   GLN  35           HA       GLN  35  -9.716   6.238   3.866
  227   1HB   GLN  35          1HB       GLN  35 -11.088   7.159   6.360
  228   2HB   GLN  35          2HB       GLN  35 -10.200   8.359   5.421
  229   1HG   GLN  35          1HG       GLN  35 -11.601   8.159   3.585
  230   2HG   GLN  35          2HG       GLN  35 -12.036   6.492   3.968
  231   1HE2  GLN  35          1HE2      GLN  35 -13.770   6.139   5.507
  232   2HE2  GLN  35          2HE2      GLN  35 -14.765   7.405   6.047
  233    H    THR  36           H        THR  36  -7.509   5.109   4.474
  234    HA   THR  36           HA       THR  36  -5.788   7.210   5.662
  235    HB   THR  36           HB       THR  36  -5.370   4.434   6.677
  236    HG1  THR  36           HG1      THR  36  -6.909   4.978   8.378
  237   1HG2  THR  36          1HG2      THR  36  -5.294   6.341   8.728
  238   2HG2  THR  36          2HG2      THR  36  -4.623   7.163   7.319
  239   3HG2  THR  36          3HG2      THR  36  -3.911   5.651   7.880
  240    H    THR  37           H        THR  37  -3.386   6.157   5.633
  241    HA   THR  37           HA       THR  37  -3.051   4.559   3.125
  242    HB   THR  37           HB       THR  37  -1.380   6.180   2.362
  243    HG1  THR  37           HG1      THR  37  -2.035   7.561   4.753
  244   1HG2  THR  37          1HG2      THR  37  -4.099   6.626   2.450
  245   2HG2  THR  37          2HG2      THR  37  -2.945   7.581   1.518
  246   3HG2  THR  37          3HG2      THR  37  -3.449   8.123   3.119
  247    H    THR  38           H        THR  38  -1.503   2.971   3.393
  248    HA   THR  38           HA       THR  38   0.578   3.339   5.502
  249    HB   THR  38           HB       THR  38  -1.296   2.190   6.558
  250    HG1  THR  38           HG1      THR  38   0.451   1.243   7.321
  251   1HG2  THR  38          1HG2      THR  38  -2.521   1.348   4.699
  252   2HG2  THR  38          2HG2      THR  38  -1.965  -0.077   5.578
  253   3HG2  THR  38          3HG2      THR  38  -1.135   0.431   4.108
  254    H    TRP  39           H        TRP  39   2.528   2.324   4.974
  255    HA   TRP  39           HA       TRP  39   3.048   1.606   2.251
  256   1HB   TRP  39          1HB       TRP  39   4.588   0.911   4.777
  257   2HB   TRP  39          2HB       TRP  39   5.251   1.014   3.146
  258    HD1  TRP  39           HD1      TRP  39   4.874   3.009   6.169
  259    HE1  TRP  39           HE1      TRP  39   5.244   5.514   5.689
  260    HE3  TRP  39           HE3      TRP  39   4.623   2.976   1.069
  261    HZ2  TRP  39           HZ2      TRP  39   5.413   7.272   3.440
  262    HZ3  TRP  39           HZ3      TRP  39   4.892   5.079  -0.216
  263    HH2  TRP  39           HH2      TRP  39   5.287   7.226   0.963
  264    H    GLN  40           H        GLN  40   4.672  -0.810   2.843
  265    HA   GLN  40           HA       GLN  40   2.909  -2.868   2.078
  266   1HB   GLN  40          1HB       GLN  40   4.769  -4.339   2.895
  267   2HB   GLN  40          2HB       GLN  40   5.346  -2.983   1.927
  268   1HG   GLN  40          1HG       GLN  40   6.656  -2.366   3.653
  269   2HG   GLN  40          2HG       GLN  40   5.201  -2.053   4.598
  270   1HE2  GLN  40          1HE2      GLN  40   6.739  -5.113   3.437
  271   2HE2  GLN  40          2HE2      GLN  40   6.785  -5.839   4.971
  272    H    ASP  41           H        ASP  41   1.489  -4.168   3.219
  273    HA   ASP  41           HA       ASP  41   1.708  -4.751   6.030
  274   1HB   ASP  41          1HB       ASP  41   0.409  -2.264   5.173
  275   2HB   ASP  41          2HB       ASP  41  -0.628  -3.260   6.195
  276    HA   PRO  42           HA       PRO  42  -2.533  -6.304   4.514
  277   1HB   PRO  42          1HB       PRO  42  -3.506  -5.408   2.117
  278   2HB   PRO  42          2HB       PRO  42  -3.827  -4.589   3.657
  279   1HG   PRO  42          1HG       PRO  42  -1.858  -3.921   1.523
  280   2HG   PRO  42          2HG       PRO  42  -2.859  -2.846   2.510
  281   1HD   PRO  42          1HD       PRO  42  -0.209  -3.306   2.979
  282   2HD   PRO  42          2HD       PRO  42  -1.365  -2.847   4.244
  283    H    ARG  43           H        ARG  43   0.066  -5.763   2.260
  284    HA   ARG  43           HA       ARG  43  -0.297  -8.546   1.220
  285   1HB   ARG  43          1HB       ARG  43  -0.302  -5.940  -0.164
  286   2HB   ARG  43          2HB       ARG  43   0.761  -7.143  -0.895
  287   1HG   ARG  43          1HG       ARG  43  -1.902  -8.149  -0.085
  288   2HG   ARG  43          2HG       ARG  43  -1.913  -6.976  -1.403
  289   1HD   ARG  43          1HD       ARG  43  -1.601  -8.992  -2.570
  290   2HD   ARG  43          2HD       ARG  43   0.077  -8.474  -2.323
  291    HE   ARG  43           HE       ARG  43   0.325 -10.298  -0.846
  292   1HH1  ARG  43          1HH1      ARG  43  -3.030  -9.411  -1.130
  293   2HH1  ARG  43          2HH1      ARG  43  -3.572 -10.703  -0.116
  294   1HH2  ARG  43          1HH2      ARG  43  -0.403 -11.966   0.467
  295   2HH2  ARG  43          2HH2      ARG  43  -2.097 -12.140   0.783
  296    H    LYS  44           H        LYS  44   1.456  -9.309   2.515
  297    HA   LYS  44           HA       LYS  44   3.723  -9.674   3.080
  298   1HB   LYS  44          1HB       LYS  44   3.980  -8.455   0.311
  299   2HB   LYS  44          2HB       LYS  44   5.229  -9.397   1.125
  300   1HG   LYS  44          1HG       LYS  44   2.672 -10.789   1.136
  301   2HG   LYS  44          2HG       LYS  44   3.187 -10.405  -0.506
  302   1HD   LYS  44          1HD       LYS  44   5.193 -11.618  -0.291
  303   2HD   LYS  44          2HD       LYS  44   5.128 -11.591   1.472
  304   1HE   LYS  44          1HE       LYS  44   4.286 -13.712   1.245
  305   2HE   LYS  44          2HE       LYS  44   2.772 -12.887   0.826
  306   1HZ   LYS  44          1HZ       LYS  44   3.566 -12.794  -1.493
  307   2HZ   LYS  44          2HZ       LYS  44   3.381 -14.392  -0.945
  308   3HZ   LYS  44          3HZ       LYS  44   4.930 -13.703  -1.056
  309    H    GLY   3           H        GLY   3   6.162   7.713   7.997
  310   1HA   GLY   3          1HA       GLY   3   4.236   9.883   8.574
  311   2HA   GLY   3          2HA       GLY   3   5.601  10.291   7.538
  312    HA   PRO   4           HA       PRO   4   2.683   7.169   5.288
  313   1HB   PRO   4          1HB       PRO   4   0.038   7.664   5.787
  314   2HB   PRO   4          2HB       PRO   4   0.988   6.476   6.697
  315   1HG   PRO   4          1HG       PRO   4   0.202   9.251   7.438
  316   2HG   PRO   4          2HG       PRO   4   0.301   7.801   8.446
  317   1HD   PRO   4          1HD       PRO   4   2.205   9.773   8.405
  318   2HD   PRO   4          2HD       PRO   4   2.539   8.083   8.840
  319    HA   PRO   5           HA       PRO   5   2.074  10.439   2.376
  320   1HB   PRO   5          1HB       PRO   5   0.927   9.030   0.329
  321   2HB   PRO   5          2HB       PRO   5   2.653   8.928   0.724
  322   1HG   PRO   5          1HG       PRO   5   0.435   7.055   1.392
  323   2HG   PRO   5          2HG       PRO   5   2.103   6.703   0.921
  324   1HD   PRO   5          1HD       PRO   5   1.192   6.605   3.500
  325   2HD   PRO   5          2HD       PRO   5   2.882   6.928   3.062
  326    HA   PRO   6           HA       PRO   6  -2.116  11.770   2.660
  327   1HB   PRO   6          1HB       PRO   6  -2.569  13.002   0.258
  328   2HB   PRO   6          2HB       PRO   6  -1.540  13.701   1.522
  329   1HG   PRO   6          1HG       PRO   6  -0.774  12.230  -0.954
  330   2HG   PRO   6          2HG       PRO   6  -0.014  13.639  -0.201
  331   1HD   PRO   6          1HD       PRO   6   0.949  11.093   0.030
  332   2HD   PRO   6          2HD       PRO   6   1.208  12.355   1.253
  333    H    TYR   7           H        TYR   7  -4.223  11.020   2.185
  334    HA   TYR   7           HA       TYR   7  -4.485   8.522   0.784
  335   1HB   TYR   7          1HB       TYR   7  -5.847   9.597   2.714
  336   2HB   TYR   7          2HB       TYR   7  -6.724  10.438   1.436
  337    HD1  TYR   7           HD1      TYR   7  -8.169   9.232  -0.112
  338    HD2  TYR   7           HD2      TYR   7  -5.963   7.148   2.929
  339    HE1  TYR   7           HE1      TYR   7  -9.543   7.208  -0.503
  340    HE2  TYR   7           HE2      TYR   7  -7.338   5.124   2.537
  341    HH   TYR   7           HH       TYR   7 -10.215   5.181   0.760
  342   1HN   NH2   8          1HN       NH2   8  -5.821  11.780  -0.070
  343   2HN   NH2   8          2HN       NH2   8  -5.909  11.473  -1.737
  344   1H1   OCT   2          1H1       OCT   2   6.220   8.345  10.603
  345   2H1   OCT   2          2H1       OCT   2   6.248   9.976   9.910
  346   1H2   OCT   2          1H2       OCT   2   8.122   8.892   8.353
  347   2H2   OCT   2          2H2       OCT   2   8.299   7.790   9.720
  348   1H3   OCT   2          1H3       OCT   2   9.822   9.566  10.157
  349   2H3   OCT   2          2H3       OCT   2   8.428   9.899  11.185
  350   1H4   OCT   2          1H4       OCT   2   7.608  11.572   9.686
  351   2H4   OCT   2          2H4       OCT   2   8.721  11.075   8.412
  352   1H5   OCT   2          1H5       OCT   2  10.631  11.808   9.784
  353   2H5   OCT   2          2H5       OCT   2   9.529  12.276  11.080
  354   1H6   OCT   2          1H6       OCT   2   9.850  14.312   9.981
  355   2H6   OCT   2          2H6       OCT   2   8.387  13.717   9.195
  356   1H7   OCT   2          1H7       OCT   2  10.956  12.828   8.000
  357   2H7   OCT   2          2H7       OCT   2  10.577  14.543   7.824
  358   1H8   OCT   2          1H8       OCT   2   9.404  13.803   6.002
  359   2H8   OCT   2          2H8       OCT   2   8.166  13.457   7.210
  360   3H8   OCT   2          3H8       OCT   2   9.233  12.171   6.649
  Start of MODEL    4
    1    H    PHE   5           H        PHE   5   9.441 -14.961  -3.067
    2    HA   PHE   5           HA       PHE   5   7.210 -14.632  -2.356
    3   1HB   PHE   5          1HB       PHE   5   9.078 -13.933  -0.175
    4   2HB   PHE   5          2HB       PHE   5   7.444 -13.303   0.032
    5    HD1  PHE   5           HD1      PHE   5   5.478 -14.927  -0.216
    6    HD2  PHE   5           HD2      PHE   5   9.553 -16.216   0.218
    7    HE1  PHE   5           HE1      PHE   5   4.694 -17.179   0.466
    8    HE2  PHE   5           HE2      PHE   5   8.767 -18.467   0.901
    9    HZ   PHE   5           HZ       PHE   5   6.339 -18.949   1.024
   10    H    GLU   6           H        GLU   6   6.627 -13.103  -4.031
   11    HA   GLU   6           HA       GLU   6   6.577 -10.249  -3.098
   12   1HB   GLU   6          1HB       GLU   6   8.080 -11.196  -5.124
   13   2HB   GLU   6          2HB       GLU   6   6.572 -10.933  -6.002
   14   1HG   GLU   6          1HG       GLU   6   6.917  -8.652  -4.378
   15   2HG   GLU   6          2HG       GLU   6   8.502  -8.983  -5.080
   16    H    ILE   7           H        ILE   7   4.896  -9.138  -4.883
   17    HA   ILE   7           HA       ILE   7   2.292  -9.843  -4.099
   18    HB   ILE   7           HB       ILE   7   3.342  -8.559  -6.640
   19   1HG1  ILE   7          1HG1      ILE   7   4.015  -7.437  -4.545
   20   2HG1  ILE   7          2HG1      ILE   7   2.844  -6.458  -5.427
   21   1HG2  ILE   7          1HG2      ILE   7   0.949  -9.395  -6.758
   22   2HG2  ILE   7          2HG2      ILE   7   1.138  -7.653  -6.969
   23   3HG2  ILE   7          3HG2      ILE   7   0.580  -8.298  -5.426
   24   1HD1  ILE   7          1HD1      ILE   7   2.341  -8.210  -3.010
   25   2HD1  ILE   7          2HD1      ILE   7   1.040  -7.550  -3.999
   26   3HD1  ILE   7          3HD1      ILE   7   2.129  -6.464  -3.137
   27    HA   PRO   8           HA       PRO   8   2.166 -13.678  -6.516
   28   1HB   PRO   8          1HB       PRO   8  -0.071 -14.684  -5.300
   29   2HB   PRO   8          2HB       PRO   8   1.553 -14.813  -4.599
   30   1HG   PRO   8          1HG       PRO   8  -0.650 -12.911  -3.959
   31   2HG   PRO   8          2HG       PRO   8   0.489 -13.719  -2.874
   32   1HD   PRO   8          1HD       PRO   8   0.737 -11.116  -3.662
   33   2HD   PRO   8          2HD       PRO   8   2.115 -12.139  -3.204
   34    H    ASP   9           H        ASP   9   0.026 -14.749  -7.594
   35    HA   ASP   9           HA       ASP   9  -1.480 -12.481  -8.855
   36   1HB   ASP   9          1HB       ASP   9   0.180 -14.440  -9.927
   37   2HB   ASP   9          2HB       ASP   9  -1.440 -15.061 -10.243
   38    H    ASP  10           H        ASP  10  -3.019 -12.752  -6.958
   39    HA   ASP  10           HA       ASP  10  -5.301 -14.357  -7.716
   40   1HB   ASP  10          1HB       ASP  10  -3.555 -16.006  -6.806
   41   2HB   ASP  10          2HB       ASP  10  -3.832 -15.263  -5.230
   42    H    VAL  11           H        VAL  11  -3.795 -13.332  -4.621
   43    HA   VAL  11           HA       VAL  11  -6.180 -11.568  -4.167
   44    HB   VAL  11           HB       VAL  11  -4.719 -13.414  -2.250
   45   1HG1  VAL  11          1HG1      VAL  11  -6.605 -11.147  -1.847
   46   2HG1  VAL  11          2HG1      VAL  11  -5.346 -11.768  -0.778
   47   3HG1  VAL  11          3HG1      VAL  11  -6.899 -12.598  -0.890
   48   1HG2  VAL  11          1HG2      VAL  11  -7.389 -14.045  -2.191
   49   2HG2  VAL  11          2HG2      VAL  11  -6.188 -14.886  -3.172
   50   3HG2  VAL  11          3HG2      VAL  11  -7.168 -13.603  -3.884
   51    HA   PRO  12           HA       PRO  12  -2.309  -9.121  -3.727
   52   1HB   PRO  12          1HB       PRO  12  -3.331  -6.825  -4.820
   53   2HB   PRO  12          2HB       PRO  12  -2.608  -8.126  -5.784
   54   1HG   PRO  12          1HG       PRO  12  -5.477  -7.488  -5.301
   55   2HG   PRO  12          2HG       PRO  12  -4.683  -8.073  -6.768
   56   1HD   PRO  12          1HD       PRO  12  -6.131  -9.661  -5.068
   57   2HD   PRO  12          2HD       PRO  12  -4.835 -10.260  -6.122
   58    H    LEU  13           H        LEU  13  -4.937  -6.759  -3.607
   59    HA   LEU  13           HA       LEU  13  -4.331  -6.332  -0.724
   60   1HB   LEU  13          1HB       LEU  13  -5.286  -4.752  -3.053
   61   2HB   LEU  13          2HB       LEU  13  -5.951  -4.289  -1.489
   62    HG   LEU  13           HG       LEU  13  -3.853  -3.052  -2.065
   63   1HD1  LEU  13          1HD1      LEU  13  -4.568  -3.565   0.306
   64   2HD1  LEU  13          2HD1      LEU  13  -2.841  -3.283   0.102
   65   3HD1  LEU  13          3HD1      LEU  13  -3.449  -4.928   0.275
   66   1HD2  LEU  13          1HD2      LEU  13  -1.713  -4.423  -1.813
   67   2HD2  LEU  13          2HD2      LEU  13  -2.608  -4.658  -3.313
   68   3HD2  LEU  13          3HD2      LEU  13  -2.718  -5.854  -2.024
   69    HA   PRO  14           HA       PRO  14  -8.374  -7.689   0.385
   70   1HB   PRO  14          1HB       PRO  14  -8.889  -6.119   2.570
   71   2HB   PRO  14          2HB       PRO  14  -7.703  -7.429   2.572
   72   1HG   PRO  14          1HG       PRO  14  -7.282  -4.554   2.634
   73   2HG   PRO  14          2HG       PRO  14  -6.161  -5.854   3.018
   74   1HD   PRO  14          1HD       PRO  14  -6.328  -4.283   0.601
   75   2HD   PRO  14          2HD       PRO  14  -5.132  -5.520   1.036
   76    H    ALA  15           H        ALA  15 -10.681  -6.781   1.054
   77    HA   ALA  15           HA       ALA  15 -11.578  -5.032  -1.086
   78   1HB   ALA  15          1HB       ALA  15 -13.253  -6.487  -0.541
   79   2HB   ALA  15          2HB       ALA  15 -13.664  -5.283   0.681
   80   3HB   ALA  15          3HB       ALA  15 -12.672  -6.675   1.114
   81    H    GLY  16           H        GLY  16 -12.769  -2.978  -0.685
   82   1HA   GLY  16          1HA       GLY  16 -12.838  -0.799   0.196
   83   2HA   GLY  16          2HA       GLY  16 -12.799  -1.581   1.777
   84    H    TRP  17           H        TRP  17 -10.212  -2.133  -0.489
   85    HA   TRP  17           HA       TRP  17  -8.452  -0.270   1.070
   86   1HB   TRP  17          1HB       TRP  17  -8.395  -3.195   0.666
   87   2HB   TRP  17          2HB       TRP  17  -6.853  -2.395   0.395
   88    HD1  TRP  17           HD1      TRP  17  -9.486  -2.971   3.120
   89    HE1  TRP  17           HE1      TRP  17  -8.396  -2.496   5.410
   90    HE3  TRP  17           HE3      TRP  17  -4.987  -1.160   1.579
   91    HZ2  TRP  17           HZ2      TRP  17  -5.920  -1.487   6.446
   92    HZ3  TRP  17           HZ3      TRP  17  -3.275  -0.457   3.220
   93    HH2  TRP  17           HH2      TRP  17  -3.732  -0.618   5.653
   94    H    GLU  18           H        GLU  18  -8.259   1.267  -0.659
   95    HA   GLU  18           HA       GLU  18  -7.616   0.350  -3.383
   96   1HB   GLU  18          1HB       GLU  18  -8.930   2.472  -2.549
   97   2HB   GLU  18          2HB       GLU  18  -7.323   3.167  -2.332
   98   1HG   GLU  18          1HG       GLU  18  -7.175   3.588  -4.526
   99   2HG   GLU  18          2HG       GLU  18  -7.411   1.879  -4.889
  100    H    MET  19           H        MET  19  -5.580   1.788  -4.291
  101    HA   MET  19           HA       MET  19  -3.348   1.719  -2.336
  102   1HB   MET  19          1HB       MET  19  -2.035   0.321  -3.897
  103   2HB   MET  19          2HB       MET  19  -3.459  -0.510  -3.305
  104   1HG   MET  19          1HG       MET  19  -3.698   1.059  -5.836
  105   2HG   MET  19          2HG       MET  19  -2.868  -0.495  -5.895
  106   1HE   MET  19          1HE       MET  19  -3.582  -2.371  -4.611
  107   2HE   MET  19          2HE       MET  19  -5.152  -3.110  -4.903
  108   3HE   MET  19          3HE       MET  19  -4.891  -2.166  -3.440
  109    H    ALA  20           H        ALA  20  -1.381   2.737  -3.310
  110    HA   ALA  20           HA       ALA  20  -1.612   4.209  -5.802
  111   1HB   ALA  20          1HB       ALA  20  -3.060   5.701  -4.812
  112   2HB   ALA  20          2HB       ALA  20  -1.558   6.407  -4.214
  113   3HB   ALA  20          3HB       ALA  20  -2.494   5.324  -3.186
  114    H    LYS  21           H        LYS  21   0.421   5.093  -6.360
  115    HA   LYS  21           HA       LYS  21   2.645   4.372  -4.523
  116   1HB   LYS  21          1HB       LYS  21   2.231   4.786  -7.456
  117   2HB   LYS  21          2HB       LYS  21   3.853   5.041  -6.811
  118   1HG   LYS  21          1HG       LYS  21   3.949   2.768  -7.259
  119   2HG   LYS  21          2HG       LYS  21   3.363   2.730  -5.596
  120   1HD   LYS  21          1HD       LYS  21   1.225   2.120  -6.219
  121   2HD   LYS  21          2HD       LYS  21   1.331   2.942  -7.776
  122   1HE   LYS  21          1HE       LYS  21   3.054   0.526  -7.219
  123   2HE   LYS  21          2HE       LYS  21   1.380   0.332  -7.773
  124   1HZ   LYS  21          1HZ       LYS  21   1.805   1.604  -9.687
  125   2HZ   LYS  21          2HZ       LYS  21   3.149   0.573  -9.565
  126   3HZ   LYS  21          3HZ       LYS  21   3.275   2.199  -9.085
  127    H    THR  22           H        THR  22   3.762   5.957  -3.448
  128    HA   THR  22           HA       THR  22   3.295   8.795  -4.318
  129    HB   THR  22           HB       THR  22   2.393   8.140  -2.114
  130    HG1  THR  22           HG1      THR  22   3.331   9.810  -1.001
  131   1HG2  THR  22          1HG2      THR  22   4.215   7.669  -0.331
  132   2HG2  THR  22          2HG2      THR  22   5.236   7.237  -1.702
  133   3HG2  THR  22          3HG2      THR  22   3.743   6.350  -1.401
  134    H    SER  23           H        SER  23   5.528   6.646  -4.969
  135    HA   SER  23           HA       SER  23   7.691   8.535  -5.224
  136   1HB   SER  23          1HB       SER  23   7.345   7.631  -2.660
  137   2HB   SER  23          2HB       SER  23   8.512   6.463  -3.281
  138    HG   SER  23           HG       SER  23   9.696   8.360  -4.055
  139    H    SER  24           H        SER  24   9.803   6.529  -4.891
  140    HA   SER  24           HA       SER  24   9.710   5.270  -7.471
  141   1HB   SER  24          1HB       SER  24  11.467   5.505  -5.133
  142   2HB   SER  24          2HB       SER  24  11.626   3.952  -5.956
  143    HG   SER  24           HG       SER  24  11.788   5.233  -7.932
  144    H    GLY  25           H        GLY  25   7.508   4.203  -7.081
  145   1HA   GLY  25          1HA       GLY  25   6.449   2.084  -7.027
  146   2HA   GLY  25          2HA       GLY  25   7.935   1.389  -6.386
  147    H    GLN  26           H        GLN  26   6.823   4.205  -4.743
  148    HA   GLN  26           HA       GLN  26   6.446   2.733  -2.278
  149   1HB   GLN  26          1HB       GLN  26   6.917   5.354  -3.117
  150   2HB   GLN  26          2HB       GLN  26   5.310   5.420  -2.399
  151   1HG   GLN  26          1HG       GLN  26   6.090   4.610  -0.311
  152   2HG   GLN  26          2HG       GLN  26   7.604   4.033  -1.008
  153   1HE2  GLN  26          1HE2      GLN  26   9.312   5.588  -1.350
  154   2HE2  GLN  26          2HE2      GLN  26   9.220   7.179  -0.768
  155    H    ARG  27           H        ARG  27   4.755   1.345  -3.682
  156    HA   ARG  27           HA       ARG  27   2.110   2.342  -4.150
  157   1HB   ARG  27          1HB       ARG  27   1.551  -0.159  -3.959
  158   2HB   ARG  27          2HB       ARG  27   2.771   0.259  -5.150
  159   1HG   ARG  27          1HG       ARG  27   4.380  -0.892  -4.047
  160   2HG   ARG  27          2HG       ARG  27   3.903  -0.199  -2.496
  161   1HD   ARG  27          1HD       ARG  27   2.927  -2.139  -1.945
  162   2HD   ARG  27          2HD       ARG  27   1.837  -1.989  -3.334
  163    HE   ARG  27           HE       ARG  27   4.288  -3.594  -3.231
  164   1HH1  ARG  27          1HH1      ARG  27   2.057  -1.854  -5.257
  165   2HH1  ARG  27          2HH1      ARG  27   2.468  -2.756  -6.673
  166   1HH2  ARG  27          1HH2      ARG  27   4.806  -4.750  -5.082
  167   2HH2  ARG  27          2HH2      ARG  27   4.012  -4.384  -6.577
  168    H    TYR  28           H        TYR  28   1.990   3.616  -1.998
  169    HA   TYR  28           HA       TYR  28   1.598   2.081   0.440
  170   1HB   TYR  28          1HB       TYR  28   1.071   4.226   1.400
  171   2HB   TYR  28          2HB       TYR  28   2.325   4.529   0.201
  172    HD1  TYR  28           HD1      TYR  28   1.888   5.830  -1.764
  173    HD2  TYR  28           HD2      TYR  28  -1.307   4.720   0.875
  174    HE1  TYR  28           HE1      TYR  28   0.369   7.381  -2.950
  175    HE2  TYR  28           HE2      TYR  28  -2.820   6.272  -0.305
  176    HH   TYR  28           HH       TYR  28  -1.998   8.688  -2.045
  177    H    PHE  29           H        PHE  29  -0.299   1.228   1.203
  178    HA   PHE  29           HA       PHE  29  -2.472   1.103  -0.750
  179   1HB   PHE  29          1HB       PHE  29  -1.705  -0.332   1.773
  180   2HB   PHE  29          2HB       PHE  29  -3.258  -0.628   0.976
  181    HD1  PHE  29           HD1      PHE  29  -3.242  -1.037  -1.532
  182    HD2  PHE  29           HD2      PHE  29   0.281  -1.311   0.888
  183    HE1  PHE  29           HE1      PHE  29  -2.106  -2.277  -3.351
  184    HE2  PHE  29           HE2      PHE  29   1.413  -2.577  -0.912
  185    HZ   PHE  29           HZ       PHE  29   0.229  -3.053  -3.041
  186    H    LEU  30           H        LEU  30  -4.265   2.123  -0.689
  187    HA   LEU  30           HA       LEU  30  -4.828   4.163   1.319
  188   1HB   LEU  30          1HB       LEU  30  -5.725   3.233  -1.361
  189   2HB   LEU  30          2HB       LEU  30  -6.859   4.226  -0.444
  190    HG   LEU  30           HG       LEU  30  -3.989   4.936  -1.089
  191   1HD1  LEU  30          1HD1      LEU  30  -6.301   6.536  -2.072
  192   2HD1  LEU  30          2HD1      LEU  30  -6.040   4.974  -2.846
  193   3HD1  LEU  30          3HD1      LEU  30  -4.761   6.188  -2.856
  194   1HD2  LEU  30          1HD2      LEU  30  -6.124   6.112   0.633
  195   2HD2  LEU  30          2HD2      LEU  30  -5.144   7.242  -0.301
  196   3HD2  LEU  30          3HD2      LEU  30  -4.378   6.142   0.843
  197    H    ASN  31           H        ASN  31  -5.805   3.478   3.201
  198    HA   ASN  31           HA       ASN  31  -7.556   1.144   3.326
  199   1HB   ASN  31          1HB       ASN  31  -7.010   3.406   5.278
  200   2HB   ASN  31          2HB       ASN  31  -7.753   1.860   5.684
  201   1HD2  ASN  31          1HD2      ASN  31  -5.942   1.408   7.178
  202   2HD2  ASN  31          2HD2      ASN  31  -4.426   0.937   6.575
  203    H    HIS  32           H        HIS  32  -9.500   1.432   2.194
  204    HA   HIS  32           HA       HIS  32 -10.888   3.993   2.096
  205   1HB   HIS  32          1HB       HIS  32 -10.829   1.629   0.662
  206   2HB   HIS  32          2HB       HIS  32 -12.390   1.539   1.479
  207    HD1  HIS  32           HD1      HIS  32 -14.004   3.667   1.123
  208    HD2  HIS  32           HD2      HIS  32 -10.756   3.415  -1.478
  209    HE1  HIS  32           HE1      HIS  32 -14.505   5.235  -0.802
  210    H    ILE  33           H        ILE  33 -11.428   0.895   3.790
  211    HA   ILE  33           HA       ILE  33 -13.861   1.616   5.099
  212    HB   ILE  33           HB       ILE  33 -13.165  -0.266   6.628
  213   1HG1  ILE  33          1HG1      ILE  33 -10.787  -0.778   4.919
  214   2HG1  ILE  33          2HG1      ILE  33 -10.626   0.519   6.104
  215   1HG2  ILE  33          1HG2      ILE  33 -14.151  -1.404   4.950
  216   2HG2  ILE  33          2HG2      ILE  33 -12.535  -1.684   4.301
  217   3HG2  ILE  33          3HG2      ILE  33 -13.487  -0.310   3.736
  218   1HD1  ILE  33          1HD1      ILE  33 -11.834  -1.404   7.616
  219   2HD1  ILE  33          2HD1      ILE  33 -10.086  -1.185   7.523
  220   3HD1  ILE  33          3HD1      ILE  33 -10.878  -2.400   6.521
  221    H    ASP  34           H        ASP  34 -10.592   2.620   5.667
  222    HA   ASP  34           HA       ASP  34 -11.447   3.864   8.263
  223   1HB   ASP  34          1HB       ASP  34  -9.609   1.876   7.921
  224   2HB   ASP  34          2HB       ASP  34  -8.578   3.301   7.792
  225    H    GLN  35           H        GLN  35 -10.628   4.541   5.102
  226    HA   GLN  35           HA       GLN  35  -9.822   6.474   4.011
  227   1HB   GLN  35          1HB       GLN  35 -10.659   7.679   6.665
  228   2HB   GLN  35          2HB       GLN  35 -10.531   8.530   5.126
  229   1HG   GLN  35          1HG       GLN  35 -12.176   6.497   4.405
  230   2HG   GLN  35          2HG       GLN  35 -12.639   6.679   6.097
  231   1HE2  GLN  35          1HE2      GLN  35 -13.052   9.095   6.755
  232   2HE2  GLN  35          2HE2      GLN  35 -13.852  10.061   5.612
  233    H    THR  36           H        THR  36  -7.624   5.198   4.702
  234    HA   THR  36           HA       THR  36  -5.833   7.328   5.739
  235    HB   THR  36           HB       THR  36  -4.847   5.263   7.163
  236    HG1  THR  36           HG1      THR  36  -6.443   3.940   7.846
  237   1HG2  THR  36          1HG2      THR  36  -6.114   7.629   7.713
  238   2HG2  THR  36          2HG2      THR  36  -5.480   6.527   8.936
  239   3HG2  THR  36          3HG2      THR  36  -7.186   6.464   8.490
  240    H    THR  37           H        THR  37  -3.445   6.305   5.686
  241    HA   THR  37           HA       THR  37  -3.207   4.578   3.241
  242    HB   THR  37           HB       THR  37  -1.457   6.087   2.447
  243    HG1  THR  37           HG1      THR  37  -0.658   6.671   4.503
  244   1HG2  THR  37          1HG2      THR  37  -4.158   6.768   2.675
  245   2HG2  THR  37          2HG2      THR  37  -2.981   7.505   1.588
  246   3HG2  THR  37          3HG2      THR  37  -3.295   8.225   3.167
  247    H    THR  38           H        THR  38  -1.584   3.019   3.383
  248    HA   THR  38           HA       THR  38   0.340   3.205   5.668
  249    HB   THR  38           HB       THR  38  -1.635   1.844   6.305
  250    HG1  THR  38           HG1      THR  38  -0.386   0.391   7.205
  251   1HG2  THR  38          1HG2      THR  38  -1.298  -0.486   4.790
  252   2HG2  THR  38          2HG2      THR  38  -1.233   0.829   3.616
  253   3HG2  THR  38          3HG2      THR  38  -2.633   0.660   4.675
  254    H    TRP  39           H        TRP  39   2.138   1.525   5.359
  255    HA   TRP  39           HA       TRP  39   2.858   1.422   2.465
  256   1HB   TRP  39          1HB       TRP  39   4.548   0.895   4.932
  257   2HB   TRP  39          2HB       TRP  39   5.130   1.218   3.301
  258    HD1  TRP  39           HD1      TRP  39   4.315   2.900   6.475
  259    HE1  TRP  39           HE1      TRP  39   4.317   5.459   6.180
  260    HE3  TRP  39           HE3      TRP  39   4.391   3.205   1.376
  261    HZ2  TRP  39           HZ2      TRP  39   4.347   7.383   4.067
  262    HZ3  TRP  39           HZ3      TRP  39   4.406   5.414   0.251
  263    HH2  TRP  39           HH2      TRP  39   4.381   7.503   1.590
  264    H    GLN  40           H        GLN  40   3.461  -0.699   5.293
  265    HA   GLN  40           HA       GLN  40   3.946  -3.089   3.906
  266   1HB   GLN  40          1HB       GLN  40   4.001  -2.382   6.439
  267   2HB   GLN  40          2HB       GLN  40   2.359  -3.022   6.461
  268   1HG   GLN  40          1HG       GLN  40   3.421  -5.001   6.886
  269   2HG   GLN  40          2HG       GLN  40   3.644  -5.020   5.137
  270   1HE2  GLN  40          1HE2      GLN  40   5.668  -6.325   5.708
  271   2HE2  GLN  40          2HE2      GLN  40   7.076  -5.472   6.125
  272    H    ASP  41           H        ASP  41   2.609  -4.750   3.106
  273    HA   ASP  41           HA       ASP  41  -0.173  -3.974   2.472
  274   1HB   ASP  41          1HB       ASP  41   1.609  -6.316   1.726
  275   2HB   ASP  41          2HB       ASP  41  -0.002  -6.047   1.064
  276    HA   PRO  42           HA       PRO  42  -1.897  -6.437   5.704
  277   1HB   PRO  42          1HB       PRO  42  -4.369  -6.929   4.639
  278   2HB   PRO  42          2HB       PRO  42  -3.902  -5.355   5.310
  279   1HG   PRO  42          1HG       PRO  42  -4.034  -6.249   2.470
  280   2HG   PRO  42          2HG       PRO  42  -4.483  -4.693   3.182
  281   1HD   PRO  42          1HD       PRO  42  -2.146  -5.124   1.836
  282   2HD   PRO  42          2HD       PRO  42  -2.334  -3.901   3.110
  283    H    ARG  43           H        ARG  43  -2.479  -7.640   2.381
  284    HA   ARG  43           HA       ARG  43  -2.338 -10.441   3.399
  285   1HB   ARG  43          1HB       ARG  43  -3.117  -9.292   0.699
  286   2HB   ARG  43          2HB       ARG  43  -3.340 -10.963   1.216
  287   1HG   ARG  43          1HG       ARG  43  -4.916 -10.307   2.915
  288   2HG   ARG  43          2HG       ARG  43  -4.553  -8.598   2.670
  289   1HD   ARG  43          1HD       ARG  43  -6.265  -8.553   1.176
  290   2HD   ARG  43          2HD       ARG  43  -5.280  -9.586   0.123
  291    HE   ARG  43           HE       ARG  43  -6.395 -11.273   2.094
  292   1HH1  ARG  43          1HH1      ARG  43  -7.491  -9.198  -0.479
  293   2HH1  ARG  43          2HH1      ARG  43  -8.916 -10.131  -0.773
  294   1HH2  ARG  43          1HH2      ARG  43  -8.253 -12.468   1.692
  295   2HH2  ARG  43          2HH2      ARG  43  -9.346 -11.968   0.445
  296    H    LYS  44           H        LYS  44   0.077 -10.165   3.689
  297    HA   LYS  44           HA       LYS  44   1.479 -10.771   1.122
  298   1HB   LYS  44          1HB       LYS  44   1.537  -8.294   2.080
  299   2HB   LYS  44          2HB       LYS  44   2.754  -8.977   3.159
  300   1HG   LYS  44          1HG       LYS  44   3.654  -9.996   0.847
  301   2HG   LYS  44          2HG       LYS  44   2.850  -8.562   0.207
  302   1HD   LYS  44          1HD       LYS  44   4.990  -7.741   0.678
  303   2HD   LYS  44          2HD       LYS  44   4.113  -7.324   2.149
  304   1HE   LYS  44          1HE       LYS  44   5.914  -8.396   3.131
  305   2HE   LYS  44          2HE       LYS  44   4.932  -9.834   2.797
  306   1HZ   LYS  44          1HZ       LYS  44   6.752  -8.668   0.771
  307   2HZ   LYS  44          2HZ       LYS  44   6.060 -10.220   0.796
  308   3HZ   LYS  44          3HZ       LYS  44   7.299  -9.820   1.889
  309    H    GLY   3           H        GLY   3   6.675  11.642   4.862
  310   1HA   GLY   3          1HA       GLY   3   5.585  10.305   7.309
  311   2HA   GLY   3          2HA       GLY   3   4.965  11.837   6.693
  312    HA   PRO   4           HA       PRO   4   2.643   8.211   4.825
  313   1HB   PRO   4          1HB       PRO   4   0.197   8.738   5.935
  314   2HB   PRO   4          2HB       PRO   4   1.402   7.686   6.703
  315   1HG   PRO   4          1HG       PRO   4   0.720  10.531   7.274
  316   2HG   PRO   4          2HG       PRO   4   1.122   9.222   8.396
  317   1HD   PRO   4          1HD       PRO   4   2.884  11.171   7.640
  318   2HD   PRO   4          2HD       PRO   4   3.378   9.544   8.152
  319    HA   PRO   5           HA       PRO   5   1.189  11.078   1.793
  320   1HB   PRO   5          1HB       PRO   5  -0.363   9.400   0.284
  321   2HB   PRO   5          2HB       PRO   5   1.411   9.386   0.236
  322   1HG   PRO   5          1HG       PRO   5  -0.466   7.573   1.676
  323   2HG   PRO   5          2HG       PRO   5   1.037   7.193   0.824
  324   1HD   PRO   5          1HD       PRO   5   0.854   7.395   3.538
  325   2HD   PRO   5          2HD       PRO   5   2.341   7.730   2.632
  326    HA   PRO   6           HA       PRO   6  -2.792  12.320   3.256
  327   1HB   PRO   6          1HB       PRO   6  -3.623  13.892   1.177
  328   2HB   PRO   6          2HB       PRO   6  -2.374  14.395   2.331
  329   1HG   PRO   6          1HG       PRO   6  -2.090  13.322  -0.433
  330   2HG   PRO   6          2HG       PRO   6  -1.167  14.592   0.382
  331   1HD   PRO   6          1HD       PRO   6  -0.271  12.025   0.047
  332   2HD   PRO   6          2HD       PRO   6   0.257  13.094   1.365
  333    H    TYR   7           H        TYR   7  -5.113  12.029   2.796
  334    HA   TYR   7           HA       TYR   7  -5.974  10.647   0.367
  335   1HB   TYR   7          1HB       TYR   7  -4.803   8.848   1.544
  336   2HB   TYR   7          2HB       TYR   7  -5.720   9.180   3.014
  337    HD1  TYR   7           HD1      TYR   7  -7.016   7.226   3.335
  338    HD2  TYR   7           HD2      TYR   7  -6.926   9.108  -0.528
  339    HE1  TYR   7           HE1      TYR   7  -8.815   5.712   2.551
  340    HE2  TYR   7           HE2      TYR   7  -8.728   7.595  -1.305
  341    HH   TYR   7           HH       TYR   7 -10.732   6.114   0.358
  342   1HN   NH2   8          1HN       NH2   8  -7.587  12.439   0.484
  343   2HN   NH2   8          2HN       NH2   8  -8.869  12.373   1.594
  344   1H1   OCT   2          1H1       OCT   2   7.692  11.784   7.413
  345   2H1   OCT   2          2H1       OCT   2   8.741  11.389   6.037
  346   1H2   OCT   2          1H2       OCT   2   7.608   8.993   6.327
  347   2H2   OCT   2          2H2       OCT   2   7.378   9.552   7.984
  348   1H3   OCT   2          1H3       OCT   2   9.731   9.864   8.298
  349   2H3   OCT   2          2H3       OCT   2  10.053   9.677   6.574
  350   1H4   OCT   2          1H4       OCT   2  10.634   7.573   7.459
  351   2H4   OCT   2          2H4       OCT   2   8.993   7.316   6.867
  352   1H5   OCT   2          1H5       OCT   2   8.733   8.324   9.496
  353   2H5   OCT   2          2H5       OCT   2  10.004   7.102   9.567
  354   1H6   OCT   2          1H6       OCT   2   8.094   5.928   7.935
  355   2H6   OCT   2          2H6       OCT   2   7.121   6.777   9.136
  356   1H7   OCT   2          1H7       OCT   2   8.233   5.645  10.945
  357   2H7   OCT   2          2H7       OCT   2   9.450   4.978   9.857
  358   1H8   OCT   2          1H8       OCT   2   6.484   4.365   9.685
  359   2H8   OCT   2          2H8       OCT   2   7.665   3.329  10.487
  360   3H8   OCT   2          3H8       OCT   2   7.773   3.607   8.749
  Start of MODEL    5
    1    H    PHE   5           H        PHE   5   8.946  -9.388   2.262
    2    HA   PHE   5           HA       PHE   5   7.014  -8.469   1.258
    3   1HB   PHE   5          1HB       PHE   5   9.306  -6.637   0.600
    4   2HB   PHE   5          2HB       PHE   5   7.710  -6.296  -0.070
    5    HD1  PHE   5           HD1      PHE   5   6.503  -4.738   1.160
    6    HD2  PHE   5           HD2      PHE   5   9.035  -7.524   3.227
    7    HE1  PHE   5           HE1      PHE   5   5.797  -3.768   3.331
    8    HE2  PHE   5           HE2      PHE   5   8.329  -6.554   5.399
    9    HZ   PHE   5           HZ       PHE   5   6.709  -4.676   5.450
   10    H    GLU   6           H        GLU   6   6.395 -10.091  -0.226
   11    HA   GLU   6           HA       GLU   6   7.663 -10.060  -2.929
   12   1HB   GLU   6          1HB       GLU   6   6.249 -12.001  -1.173
   13   2HB   GLU   6          2HB       GLU   6   5.989 -12.188  -2.908
   14   1HG   GLU   6          1HG       GLU   6   8.710 -12.005  -1.577
   15   2HG   GLU   6          2HG       GLU   6   7.943 -13.507  -2.094
   16    H    ILE   7           H        ILE   7   5.847  -7.909  -2.210
   17    HA   ILE   7           HA       ILE   7   3.190  -8.458  -3.255
   18    HB   ILE   7           HB       ILE   7   4.723  -5.872  -2.847
   19   1HG1  ILE   7          1HG1      ILE   7   4.574  -7.371  -0.827
   20   2HG1  ILE   7          2HG1      ILE   7   3.762  -5.822  -0.625
   21   1HG2  ILE   7          1HG2      ILE   7   2.718  -5.581  -4.228
   22   2HG2  ILE   7          2HG2      ILE   7   2.458  -4.880  -2.631
   23   3HG2  ILE   7          3HG2      ILE   7   1.749  -6.445  -3.033
   24   1HD1  ILE   7          1HD1      ILE   7   2.515  -7.994   0.114
   25   2HD1  ILE   7          2HD1      ILE   7   2.226  -8.220  -1.609
   26   3HD1  ILE   7          3HD1      ILE   7   1.622  -6.778  -0.798
   27    HA   PRO   8           HA       PRO   8   4.795  -8.201  -7.477
   28   1HB   PRO   8          1HB       PRO   8   2.484  -9.011  -8.700
   29   2HB   PRO   8          2HB       PRO   8   3.640 -10.141  -7.972
   30   1HG   PRO   8          1HG       PRO   8   1.068  -9.091  -6.889
   31   2HG   PRO   8          2HG       PRO   8   1.749 -10.721  -6.789
   32   1HD   PRO   8          1HD       PRO   8   1.840  -8.927  -4.739
   33   2HD   PRO   8          2HD       PRO   8   3.057 -10.197  -4.978
   34    H    ASP   9           H        ASP   9   3.730  -7.098  -9.533
   35    HA   ASP   9           HA       ASP   9   2.749  -4.447  -8.653
   36   1HB   ASP   9          1HB       ASP   9   3.819  -5.674 -11.199
   37   2HB   ASP   9          2HB       ASP   9   3.127  -4.051 -11.185
   38    H    ASP  10           H        ASP  10   0.837  -6.568  -8.355
   39    HA   ASP  10           HA       ASP  10  -1.412  -5.457  -9.799
   40   1HB   ASP  10          1HB       ASP  10  -0.170  -6.730 -11.576
   41   2HB   ASP  10          2HB       ASP  10  -0.419  -8.201 -10.634
   42    H    VAL  11           H        VAL  11  -2.054  -5.504  -7.485
   43    HA   VAL  11           HA       VAL  11  -3.119  -8.191  -6.704
   44    HB   VAL  11           HB       VAL  11  -1.808  -6.144  -4.884
   45   1HG1  VAL  11          1HG1      VAL  11  -2.052  -8.962  -4.060
   46   2HG1  VAL  11          2HG1      VAL  11  -3.597  -8.135  -4.255
   47   3HG1  VAL  11          3HG1      VAL  11  -2.386  -7.490  -3.147
   48   1HG2  VAL  11          1HG2      VAL  11  -0.735  -8.768  -5.971
   49   2HG2  VAL  11          2HG2      VAL  11   0.073  -7.744  -4.785
   50   3HG2  VAL  11          3HG2      VAL  11  -0.172  -7.160  -6.430
   51    HA   PRO  12           HA       PRO  12  -6.776  -5.671  -6.348
   52   1HB   PRO  12          1HB       PRO  12  -8.408  -7.537  -5.191
   53   2HB   PRO  12          2HB       PRO  12  -7.996  -7.542  -6.915
   54   1HG   PRO  12          1HG       PRO  12  -6.874  -9.174  -4.688
   55   2HG   PRO  12          2HG       PRO  12  -7.256  -9.648  -6.349
   56   1HD   PRO  12          1HD       PRO  12  -4.730  -9.106  -5.479
   57   2HD   PRO  12          2HD       PRO  12  -5.256  -8.880  -7.159
   58    H    LEU  13           H        LEU  13  -4.857  -6.758  -3.774
   59    HA   LEU  13           HA       LEU  13  -4.791  -6.182  -1.480
   60   1HB   LEU  13          1HB       LEU  13  -5.941  -3.977  -3.077
   61   2HB   LEU  13          2HB       LEU  13  -6.265  -3.857  -1.354
   62    HG   LEU  13           HG       LEU  13  -4.136  -2.719  -2.027
   63   1HD1  LEU  13          1HD1      LEU  13  -3.680  -5.158  -0.289
   64   2HD1  LEU  13          2HD1      LEU  13  -4.429  -3.660   0.260
   65   3HD1  LEU  13          3HD1      LEU  13  -2.749  -3.663  -0.267
   66   1HD2  LEU  13          1HD2      LEU  13  -2.202  -4.300  -2.550
   67   2HD2  LEU  13          2HD2      LEU  13  -3.378  -4.076  -3.844
   68   3HD2  LEU  13          3HD2      LEU  13  -3.416  -5.538  -2.859
   69    HA   PRO  14           HA       PRO  14  -8.538  -7.486   0.399
   70   1HB   PRO  14          1HB       PRO  14  -8.787  -6.028   2.700
   71   2HB   PRO  14          2HB       PRO  14  -7.562  -7.288   2.471
   72   1HG   PRO  14          1HG       PRO  14  -7.279  -4.357   2.471
   73   2HG   PRO  14          2HG       PRO  14  -6.095  -5.605   2.866
   74   1HD   PRO  14          1HD       PRO  14  -6.286  -4.139   0.474
   75   2HD   PRO  14          2HD       PRO  14  -5.244  -5.541   0.773
   76    H    ALA  15           H        ALA  15 -10.765  -6.742   1.344
   77    HA   ALA  15           HA       ALA  15 -12.082  -5.076  -0.565
   78   1HB   ALA  15          1HB       ALA  15 -13.880  -5.986   0.476
   79   2HB   ALA  15          2HB       ALA  15 -13.392  -5.330   2.040
   80   3HB   ALA  15          3HB       ALA  15 -12.717  -6.859   1.475
   81    H    GLY  16           H        GLY  16 -12.792  -2.918  -0.424
   82   1HA   GLY  16          1HA       GLY  16 -12.685  -0.666   0.222
   83   2HA   GLY  16          2HA       GLY  16 -12.760  -1.274   1.875
   84    H    TRP  17           H        TRP  17 -10.249  -1.648  -0.651
   85    HA   TRP  17           HA       TRP  17  -8.377  -0.047   1.013
   86   1HB   TRP  17          1HB       TRP  17  -8.453  -2.980   0.723
   87   2HB   TRP  17          2HB       TRP  17  -6.870  -2.272   0.416
   88    HD1  TRP  17           HD1      TRP  17  -9.359  -2.952   3.172
   89    HE1  TRP  17           HE1      TRP  17  -8.328  -2.267   5.435
   90    HE3  TRP  17           HE3      TRP  17  -5.181  -0.525   1.535
   91    HZ2  TRP  17           HZ2      TRP  17  -6.030  -0.873   6.419
   92    HZ3  TRP  17           HZ3      TRP  17  -3.591   0.471   3.148
   93    HH2  TRP  17           HH2      TRP  17  -4.007   0.301   5.586
   94    H    GLU  18           H        GLU  18  -8.302   1.409  -0.828
   95    HA   GLU  18           HA       GLU  18  -7.561   0.421  -3.486
   96   1HB   GLU  18          1HB       GLU  18  -8.867   2.572  -2.730
   97   2HB   GLU  18          2HB       GLU  18  -7.261   3.256  -2.478
   98   1HG   GLU  18          1HG       GLU  18  -7.048   3.647  -4.672
   99   2HG   GLU  18          2HG       GLU  18  -7.293   1.935  -5.019
  100    H    MET  19           H        MET  19  -5.482   1.856  -4.367
  101    HA   MET  19           HA       MET  19  -3.302   1.765  -2.358
  102   1HB   MET  19          1HB       MET  19  -1.955   0.367  -3.872
  103   2HB   MET  19          2HB       MET  19  -3.416  -0.455  -3.364
  104   1HG   MET  19          1HG       MET  19  -3.494   1.149  -5.888
  105   2HG   MET  19          2HG       MET  19  -2.708  -0.430  -5.914
  106   1HE   MET  19          1HE       MET  19  -3.548  -2.216  -4.549
  107   2HE   MET  19          2HE       MET  19  -5.034  -2.986  -5.092
  108   3HE   MET  19          3HE       MET  19  -5.025  -2.067  -3.590
  109    H    ALA  20           H        ALA  20  -1.290   2.746  -3.311
  110    HA   ALA  20           HA       ALA  20  -1.466   4.255  -5.780
  111   1HB   ALA  20          1HB       ALA  20  -2.873   5.801  -4.844
  112   2HB   ALA  20          2HB       ALA  20  -1.394   6.422  -4.107
  113   3HB   ALA  20          3HB       ALA  20  -2.444   5.331  -3.200
  114    H    LYS  21           H        LYS  21   0.585   5.123  -6.292
  115    HA   LYS  21           HA       LYS  21   2.762   4.374  -4.404
  116   1HB   LYS  21          1HB       LYS  21   2.806   5.169  -7.333
  117   2HB   LYS  21          2HB       LYS  21   4.147   4.470  -6.427
  118   1HG   LYS  21          1HG       LYS  21   2.330   2.580  -5.918
  119   2HG   LYS  21          2HG       LYS  21   1.651   3.171  -7.434
  120   1HD   LYS  21          1HD       LYS  21   4.586   2.742  -7.424
  121   2HD   LYS  21          2HD       LYS  21   3.601   1.284  -7.310
  122   1HE   LYS  21          1HE       LYS  21   3.391   1.429  -9.574
  123   2HE   LYS  21          2HE       LYS  21   2.328   2.818  -9.281
  124   1HZ   LYS  21          1HZ       LYS  21   5.277   2.839  -9.653
  125   2HZ   LYS  21          2HZ       LYS  21   4.402   4.178  -9.078
  126   3HZ   LYS  21          3HZ       LYS  21   4.112   3.577 -10.641
  127    H    THR  22           H        THR  22   3.617   6.010  -3.182
  128    HA   THR  22           HA       THR  22   3.268   8.821  -4.139
  129    HB   THR  22           HB       THR  22   2.492   8.172  -1.877
  130    HG1  THR  22           HG1      THR  22   3.123  10.051  -1.215
  131   1HG2  THR  22          1HG2      THR  22   3.913   6.397  -1.246
  132   2HG2  THR  22          2HG2      THR  22   4.393   7.726  -0.191
  133   3HG2  THR  22          3HG2      THR  22   5.370   7.323  -1.602
  134    H    SER  23           H        SER  23   5.337   6.812  -5.123
  135    HA   SER  23           HA       SER  23   7.567   8.606  -5.373
  136   1HB   SER  23          1HB       SER  23   7.373   7.286  -2.906
  137   2HB   SER  23          2HB       SER  23   8.585   6.369  -3.802
  138    HG   SER  23           HG       SER  23   8.554   9.159  -3.310
  139    H    SER  24           H        SER  24   9.595   6.504  -5.512
  140    HA   SER  24           HA       SER  24   9.292   5.561  -8.154
  141   1HB   SER  24          1HB       SER  24  11.432   5.565  -7.094
  142   2HB   SER  24          2HB       SER  24  10.845   4.595  -5.743
  143    HG   SER  24           HG       SER  24  11.517   2.969  -6.865
  144    H    GLY  25           H        GLY  25   9.150   3.424  -5.286
  145   1HA   GLY  25          1HA       GLY  25   6.905   1.957  -6.610
  146   2HA   GLY  25          2HA       GLY  25   8.240   1.090  -5.852
  147    H    GLN  26           H        GLN  26   7.075   4.052  -4.435
  148    HA   GLN  26           HA       GLN  26   6.519   2.746  -1.911
  149   1HB   GLN  26          1HB       GLN  26   6.712   5.413  -3.071
  150   2HB   GLN  26          2HB       GLN  26   5.391   5.304  -1.911
  151   1HG   GLN  26          1HG       GLN  26   7.006   5.637  -0.348
  152   2HG   GLN  26          2HG       GLN  26   7.386   3.935  -0.612
  153   1HE2  GLN  26          1HE2      GLN  26   8.724   7.057  -0.692
  154   2HE2  GLN  26          2HE2      GLN  26  10.099   6.711  -1.624
  155    H    ARG  27           H        ARG  27   4.918   1.269  -3.368
  156    HA   ARG  27           HA       ARG  27   2.294   2.267  -4.002
  157   1HB   ARG  27          1HB       ARG  27   1.722  -0.218  -3.815
  158   2HB   ARG  27          2HB       ARG  27   3.034   0.159  -4.919
  159   1HG   ARG  27          1HG       ARG  27   4.541  -0.981  -3.670
  160   2HG   ARG  27          2HG       ARG  27   3.962  -0.241  -2.179
  161   1HD   ARG  27          1HD       ARG  27   2.919  -2.156  -1.646
  162   2HD   ARG  27          2HD       ARG  27   1.938  -2.037  -3.117
  163    HE   ARG  27           HE       ARG  27   4.354  -3.662  -2.784
  164   1HH1  ARG  27          1HH1      ARG  27   2.308  -1.951  -5.023
  165   2HH1  ARG  27          2HH1      ARG  27   2.829  -2.886  -6.381
  166   1HH2  ARG  27          1HH2      ARG  27   5.013  -4.861  -4.562
  167   2HH2  ARG  27          2HH2      ARG  27   4.347  -4.520  -6.125
  168    H    TYR  28           H        TYR  28   2.045   3.586  -1.894
  169    HA   TYR  28           HA       TYR  28   1.576   2.079   0.555
  170   1HB   TYR  28          1HB       TYR  28   1.044   4.232   1.479
  171   2HB   TYR  28          2HB       TYR  28   2.330   4.519   0.310
  172    HD1  TYR  28           HD1      TYR  28   1.950   5.808  -1.676
  173    HD2  TYR  28           HD2      TYR  28  -1.315   4.736   0.894
  174    HE1  TYR  28           HE1      TYR  28   0.470   7.363  -2.906
  175    HE2  TYR  28           HE2      TYR  28  -2.789   6.292  -0.330
  176    HH   TYR  28           HH       TYR  28  -2.482   8.398  -1.745
  177    H    PHE  29           H        PHE  29  -0.366   1.282   1.295
  178    HA   PHE  29           HA       PHE  29  -2.475   1.144  -0.737
  179   1HB   PHE  29          1HB       PHE  29  -1.778  -0.306   1.796
  180   2HB   PHE  29          2HB       PHE  29  -3.318  -0.592   0.961
  181    HD1  PHE  29           HD1      PHE  29  -3.188  -0.859  -1.591
  182    HD2  PHE  29           HD2      PHE  29   0.169  -1.426   1.002
  183    HE1  PHE  29           HE1      PHE  29  -2.026  -2.105  -3.390
  184    HE2  PHE  29           HE2      PHE  29   1.327  -2.700  -0.780
  185    HZ   PHE  29           HZ       PHE  29   0.235  -3.030  -2.984
  186    H    LEU  30           H        LEU  30  -4.252   2.188  -0.725
  187    HA   LEU  30           HA       LEU  30  -4.884   4.199   1.291
  188   1HB   LEU  30          1HB       LEU  30  -5.711   3.289  -1.420
  189   2HB   LEU  30          2HB       LEU  30  -6.855   4.295  -0.528
  190    HG   LEU  30           HG       LEU  30  -3.964   4.968  -1.110
  191   1HD1  LEU  30          1HD1      LEU  30  -5.316   6.893  -2.351
  192   2HD1  LEU  30          2HD1      LEU  30  -6.579   5.662  -2.402
  193   3HD1  LEU  30          3HD1      LEU  30  -5.011   5.348  -3.146
  194   1HD2  LEU  30          1HD2      LEU  30  -4.347   6.190   0.809
  195   2HD2  LEU  30          2HD2      LEU  30  -6.096   6.150   0.606
  196   3HD2  LEU  30          3HD2      LEU  30  -5.126   7.287  -0.331
  197    H    ASN  31           H        ASN  31  -5.870   3.427   3.153
  198    HA   ASN  31           HA       ASN  31  -7.671   1.119   3.128
  199   1HB   ASN  31          1HB       ASN  31  -6.059   1.883   4.964
  200   2HB   ASN  31          2HB       ASN  31  -7.212   3.174   5.305
  201   1HD2  ASN  31          1HD2      ASN  31  -7.286   1.901   7.485
  202   2HD2  ASN  31          2HD2      ASN  31  -8.407   0.632   7.589
  203    H    HIS  32           H        HIS  32  -9.682   1.439   2.207
  204    HA   HIS  32           HA       HIS  32 -10.997   4.058   2.243
  205   1HB   HIS  32          1HB       HIS  32 -11.057   1.676   0.747
  206   2HB   HIS  32          2HB       HIS  32 -12.645   1.782   1.502
  207    HD1  HIS  32           HD1      HIS  32 -13.983   4.074   1.081
  208    HD2  HIS  32           HD2      HIS  32 -10.655   3.468  -1.355
  209    HE1  HIS  32           HE1      HIS  32 -14.198   5.704  -0.844
  210    H    ILE  33           H        ILE  33 -11.554   0.871   3.768
  211    HA   ILE  33           HA       ILE  33 -13.958   1.464   5.142
  212    HB   ILE  33           HB       ILE  33 -13.157  -0.379   6.652
  213   1HG1  ILE  33          1HG1      ILE  33 -10.713  -0.712   4.991
  214   2HG1  ILE  33          2HG1      ILE  33 -10.670   0.588   6.182
  215   1HG2  ILE  33          1HG2      ILE  33 -12.313  -1.498   4.111
  216   2HG2  ILE  33          2HG2      ILE  33 -13.712  -0.445   3.898
  217   3HG2  ILE  33          3HG2      ILE  33 -13.790  -1.802   5.023
  218   1HD1  ILE  33          1HD1      ILE  33  -9.866  -1.680   7.016
  219   2HD1  ILE  33          2HD1      ILE  33 -11.534  -2.232   6.866
  220   3HD1  ILE  33          3HD1      ILE  33 -11.134  -0.926   7.982
  221    H    ASP  34           H        ASP  34 -10.704   2.557   5.738
  222    HA   ASP  34           HA       ASP  34 -11.646   3.874   8.265
  223   1HB   ASP  34          1HB       ASP  34  -9.859   1.851   8.125
  224   2HB   ASP  34          2HB       ASP  34  -8.768   3.216   7.883
  225    H    GLN  35           H        GLN  35 -10.639   4.416   5.117
  226    HA   GLN  35           HA       GLN  35  -9.804   6.319   4.001
  227   1HB   GLN  35          1HB       GLN  35 -10.697   7.597   6.605
  228   2HB   GLN  35          2HB       GLN  35 -10.501   8.419   5.057
  229   1HG   GLN  35          1HG       GLN  35 -12.175   6.147   4.626
  230   2HG   GLN  35          2HG       GLN  35 -12.794   7.009   6.035
  231   1HE2  GLN  35          1HE2      GLN  35 -11.630   7.683   2.683
  232   2HE2  GLN  35          2HE2      GLN  35 -12.707   8.968   2.412
  233    H    THR  36           H        THR  36  -7.603   5.188   4.530
  234    HA   THR  36           HA       THR  36  -5.840   7.231   5.737
  235    HB   THR  36           HB       THR  36  -5.449   4.463   6.769
  236    HG1  THR  36           HG1      THR  36  -7.061   4.685   8.274
  237   1HG2  THR  36          1HG2      THR  36  -3.999   5.698   7.965
  238   2HG2  THR  36          2HG2      THR  36  -5.393   6.359   8.819
  239   3HG2  THR  36          3HG2      THR  36  -4.737   7.205   7.418
  240    H    THR  37           H        THR  37  -3.458   6.148   5.682
  241    HA   THR  37           HA       THR  37  -3.191   4.561   3.152
  242    HB   THR  37           HB       THR  37  -1.432   6.105   2.448
  243    HG1  THR  37           HG1      THR  37  -2.011   7.525   4.832
  244   1HG2  THR  37          1HG2      THR  37  -4.137   6.767   2.642
  245   2HG2  THR  37          2HG2      THR  37  -2.940   7.560   1.622
  246   3HG2  THR  37          3HG2      THR  37  -3.297   8.203   3.224
  247    H    THR  38           H        THR  38  -1.594   2.976   3.274
  248    HA   THR  38           HA       THR  38   0.269   3.068   5.620
  249    HB   THR  38           HB       THR  38  -1.736   1.618   6.016
  250    HG1  THR  38           HG1      THR  38  -0.375   0.482   7.102
  251   1HG2  THR  38          1HG2      THR  38  -0.665  -0.280   3.954
  252   2HG2  THR  38          2HG2      THR  38  -1.751   1.016   3.452
  253   3HG2  THR  38          3HG2      THR  38  -2.286  -0.175   4.636
  254    H    TRP  39           H        TRP  39   2.050   1.316   5.270
  255    HA   TRP  39           HA       TRP  39   2.915   1.448   2.406
  256   1HB   TRP  39          1HB       TRP  39   4.527   0.895   4.923
  257   2HB   TRP  39          2HB       TRP  39   5.165   1.278   3.327
  258    HD1  TRP  39           HD1      TRP  39   4.096   2.852   6.498
  259    HE1  TRP  39           HE1      TRP  39   4.057   5.418   6.267
  260    HE3  TRP  39           HE3      TRP  39   4.542   3.288   1.429
  261    HZ2  TRP  39           HZ2      TRP  39   4.197   7.394   4.207
  262    HZ3  TRP  39           HZ3      TRP  39   4.586   5.524   0.359
  263    HH2  TRP  39           HH2      TRP  39   4.413   7.577   1.742
  264    H    GLN  40           H        GLN  40   3.361  -0.751   5.209
  265    HA   GLN  40           HA       GLN  40   3.997  -3.083   3.743
  266   1HB   GLN  40          1HB       GLN  40   2.488  -2.722   6.355
  267   2HB   GLN  40          2HB       GLN  40   3.250  -4.224   5.832
  268   1HG   GLN  40          1HG       GLN  40   5.394  -3.409   6.154
  269   2HG   GLN  40          2HG       GLN  40   4.913  -1.736   5.865
  270   1HE2  GLN  40          1HE2      GLN  40   6.087  -1.254   7.960
  271   2HE2  GLN  40          2HE2      GLN  40   5.284  -1.531   9.431
  272    H    ASP  41           H        ASP  41   2.660  -4.840   3.014
  273    HA   ASP  41           HA       ASP  41   0.039  -4.036   2.005
  274   1HB   ASP  41          1HB       ASP  41   0.138  -6.293   0.992
  275   2HB   ASP  41          2HB       ASP  41   1.657  -5.431   0.756
  276    HA   PRO  42           HA       PRO  42  -2.112  -5.632   5.566
  277   1HB   PRO  42          1HB       PRO  42  -4.653  -5.465   4.576
  278   2HB   PRO  42          2HB       PRO  42  -3.742  -4.053   5.144
  279   1HG   PRO  42          1HG       PRO  42  -4.263  -4.992   2.373
  280   2HG   PRO  42          2HG       PRO  42  -4.157  -3.344   3.005
  281   1HD   PRO  42          1HD       PRO  42  -2.153  -4.625   1.610
  282   2HD   PRO  42          2HD       PRO  42  -1.898  -3.258   2.714
  283    H    ARG  43           H        ARG  43  -1.701  -7.194   2.620
  284    HA   ARG  43           HA       ARG  43  -2.851  -9.705   3.716
  285   1HB   ARG  43          1HB       ARG  43  -3.950 -10.086   1.479
  286   2HB   ARG  43          2HB       ARG  43  -4.630  -8.730   2.375
  287   1HG   ARG  43          1HG       ARG  43  -4.275  -7.515   0.496
  288   2HG   ARG  43          2HG       ARG  43  -2.568  -7.553   0.936
  289   1HD   ARG  43          1HD       ARG  43  -2.988 -10.021  -0.296
  290   2HD   ARG  43          2HD       ARG  43  -3.914  -8.878  -1.286
  291    HE   ARG  43           HE       ARG  43  -1.600  -7.493  -0.863
  292   1HH1  ARG  43          1HH1      ARG  43  -2.218 -10.764  -1.888
  293   2HH1  ARG  43          2HH1      ARG  43  -0.738 -10.880  -2.774
  294   1HH2  ARG  43          1HH2      ARG  43   0.309  -7.669  -2.025
  295   2HH2  ARG  43          2HH2      ARG  43   0.681  -9.144  -2.855
  296    H    LYS  44           H        LYS  44  -0.921 -10.846   3.786
  297    HA   LYS  44           HA       LYS  44   1.050 -11.894   3.004
  298   1HB   LYS  44          1HB       LYS  44  -0.672 -12.882   1.540
  299   2HB   LYS  44          2HB       LYS  44  -0.506 -11.529   0.421
  300   1HG   LYS  44          1HG       LYS  44   2.074 -12.278   0.553
  301   2HG   LYS  44          2HG       LYS  44   1.321 -13.836   0.895
  302   1HD   LYS  44          1HD       LYS  44  -0.124 -12.628  -1.249
  303   2HD   LYS  44          2HD       LYS  44   1.594 -12.517  -1.632
  304   1HE   LYS  44          1HE       LYS  44   0.562 -15.117  -0.552
  305   2HE   LYS  44          2HE       LYS  44   0.230 -14.715  -2.247
  306   1HZ   LYS  44          1HZ       LYS  44   2.520 -14.387  -2.665
  307   2HZ   LYS  44          2HZ       LYS  44   2.429 -15.847  -1.799
  308   3HZ   LYS  44          3HZ       LYS  44   2.916 -14.421  -1.016
  309    H    GLY   3           H        GLY   3   3.864  11.979   7.295
  310   1HA   GLY   3          1HA       GLY   3   5.901   9.795   7.130
  311   2HA   GLY   3          2HA       GLY   3   4.524   9.692   8.225
  312    HA   PRO   4           HA       PRO   4   2.411   7.688   4.923
  313   1HB   PRO   4          1HB       PRO   4  -0.156   7.949   5.837
  314   2HB   PRO   4          2HB       PRO   4   1.002   6.796   6.525
  315   1HG   PRO   4          1HG       PRO   4   0.154   9.468   7.532
  316   2HG   PRO   4          2HG       PRO   4   0.487   7.981   8.429
  317   1HD   PRO   4          1HD       PRO   4   2.242  10.069   8.247
  318   2HD   PRO   4          2HD       PRO   4   2.744   8.384   8.495
  319    HA   PRO   5           HA       PRO   5   1.125  10.994   2.296
  320   1HB   PRO   5          1HB       PRO   5  -0.356   9.609   0.456
  321   2HB   PRO   5          2HB       PRO   5   1.417   9.562   0.506
  322   1HG   PRO   5          1HG       PRO   5  -0.568   7.592   1.541
  323   2HG   PRO   5          2HG       PRO   5   0.971   7.310   0.716
  324   1HD   PRO   5          1HD       PRO   5   0.653   7.084   3.412
  325   2HD   PRO   5          2HD       PRO   5   2.190   7.537   2.648
  326    HA   PRO   6           HA       PRO   6  -2.929  12.142   3.589
  327   1HB   PRO   6          1HB       PRO   6  -3.726  13.788   1.555
  328   2HB   PRO   6          2HB       PRO   6  -2.511  14.256   2.758
  329   1HG   PRO   6          1HG       PRO   6  -2.145  13.289  -0.036
  330   2HG   PRO   6          2HG       PRO   6  -1.263  14.542   0.846
  331   1HD   PRO   6          1HD       PRO   6  -0.316  12.008   0.445
  332   2HD   PRO   6          2HD       PRO   6   0.152  13.028   1.822
  333    H    TYR   7           H        TYR   7  -5.287  12.085   2.849
  334    HA   TYR   7           HA       TYR   7  -6.053  10.712   0.428
  335   1HB   TYR   7          1HB       TYR   7  -4.895   8.862   1.523
  336   2HB   TYR   7          2HB       TYR   7  -5.818   9.121   3.003
  337    HD1  TYR   7           HD1      TYR   7  -7.131   7.175   3.246
  338    HD2  TYR   7           HD2      TYR   7  -6.985   9.178  -0.553
  339    HE1  TYR   7           HE1      TYR   7  -8.924   5.692   2.393
  340    HE2  TYR   7           HE2      TYR   7  -8.779   7.694  -1.404
  341    HH   TYR   7           HH       TYR   7 -10.732   5.877   0.533
  342   1HN   NH2   8          1HN       NH2   8  -7.081  10.762   3.905
  343   2HN   NH2   8          2HN       NH2   8  -8.641  11.353   3.592
  344   1H1   OCT   2          1H1       OCT   2   6.173  11.742   8.826
  345   2H1   OCT   2          2H1       OCT   2   5.703  13.275   8.068
  346   1H2   OCT   2          1H2       OCT   2   6.648  12.068   5.886
  347   2H2   OCT   2          2H2       OCT   2   7.579  11.154   7.071
  348   1H3   OCT   2          1H3       OCT   2   8.605  13.135   7.928
  349   2H3   OCT   2          2H3       OCT   2   7.465  14.177   7.076
  350   1H4   OCT   2          1H4       OCT   2   9.585  14.169   5.872
  351   2H4   OCT   2          2H4       OCT   2   8.378  13.314   4.909
  352   1H5   OCT   2          1H5       OCT   2   9.866  11.615   6.815
  353   2H5   OCT   2          2H5       OCT   2  10.852  12.312   5.530
  354   1H6   OCT   2          1H6       OCT   2   8.229  10.892   5.008
  355   2H6   OCT   2          2H6       OCT   2   9.787  10.066   4.985
  356   1H7   OCT   2          1H7       OCT   2  10.291  12.253   3.402
  357   2H7   OCT   2          2H7       OCT   2   8.604  11.914   3.015
  358   1H8   OCT   2          1H8       OCT   2   9.543   9.406   2.926
  359   2H8   OCT   2          2H8       OCT   2  11.038  10.255   2.535
  360   3H8   OCT   2          3H8       OCT   2   9.609  10.472   1.524
  Start of MODEL    6
    1    H    PHE   5           H        PHE   5   7.931  -6.040  -8.844
    2    HA   PHE   5           HA       PHE   5   5.707  -6.238 -10.776
    3   1HB   PHE   5          1HB       PHE   5   7.391  -8.027  -9.080
    4   2HB   PHE   5          2HB       PHE   5   5.796  -8.623  -9.541
    5    HD1  PHE   5           HD1      PHE   5   5.313  -7.653 -12.186
    6    HD2  PHE   5           HD2      PHE   5   9.022  -8.966 -10.460
    7    HE1  PHE   5           HE1      PHE   5   6.171  -8.202 -14.447
    8    HE2  PHE   5           HE2      PHE   5   9.879  -9.516 -12.721
    9    HZ   PHE   5           HZ       PHE   5   8.454  -9.134 -14.715
   10    H    GLU   6           H        GLU   6   3.757  -5.426 -10.072
   11    HA   GLU   6           HA       GLU   6   2.955  -4.898  -7.426
   12   1HB   GLU   6          1HB       GLU   6   1.414  -5.652  -9.924
   13   2HB   GLU   6          2HB       GLU   6   0.642  -5.028  -8.466
   14   1HG   GLU   6          1HG       GLU   6   1.012  -2.984  -9.388
   15   2HG   GLU   6          2HG       GLU   6   2.676  -3.217  -8.850
   16    H    ILE   7           H        ILE   7   1.051  -6.104  -6.316
   17    HA   ILE   7           HA       ILE   7   1.842  -8.692  -5.494
   18    HB   ILE   7           HB       ILE   7  -0.866  -7.321  -5.522
   19   1HG1  ILE   7          1HG1      ILE   7   0.942  -6.077  -4.370
   20   2HG1  ILE   7          2HG1      ILE   7  -0.257  -6.676  -3.222
   21   1HG2  ILE   7          1HG2      ILE   7  -1.537  -8.868  -3.802
   22   2HG2  ILE   7          2HG2      ILE   7   0.081  -9.565  -3.720
   23   3HG2  ILE   7          3HG2      ILE   7  -0.921  -9.825  -5.148
   24   1HD1  ILE   7          1HD1      ILE   7   2.464  -7.865  -3.824
   25   2HD1  ILE   7          2HD1      ILE   7   1.235  -8.692  -2.866
   26   3HD1  ILE   7          3HD1      ILE   7   1.916  -7.166  -2.300
   27    HA   PRO   8           HA       PRO   8   0.481 -11.120  -8.952
   28   1HB   PRO   8          1HB       PRO   8   0.524 -13.584  -7.761
   29   2HB   PRO   8          2HB       PRO   8   1.994 -12.730  -8.268
   30   1HG   PRO   8          1HG       PRO   8   0.785 -12.993  -5.558
   31   2HG   PRO   8          2HG       PRO   8   2.488 -13.008  -6.039
   32   1HD   PRO   8          1HD       PRO   8   1.227 -10.841  -4.938
   33   2HD   PRO   8          2HD       PRO   8   2.639 -10.724  -6.008
   34    H    ASP   9           H        ASP   9  -1.191 -13.209  -9.048
   35    HA   ASP   9           HA       ASP   9  -3.779 -12.112  -8.337
   36   1HB   ASP   9          1HB       ASP   9  -2.618 -14.162  -9.978
   37   2HB   ASP   9          2HB       ASP   9  -3.923 -14.872  -9.028
   38    H    ASP  10           H        ASP  10  -1.506 -13.794  -6.475
   39    HA   ASP  10           HA       ASP  10  -3.183 -15.586  -4.983
   40   1HB   ASP  10          1HB       ASP  10  -0.529 -14.214  -4.623
   41   2HB   ASP  10          2HB       ASP  10  -1.215 -15.149  -3.295
   42    H    VAL  11           H        VAL  11  -5.051 -13.962  -4.798
   43    HA   VAL  11           HA       VAL  11  -6.349 -12.498  -3.473
   44    HB   VAL  11           HB       VAL  11  -4.272 -13.497  -1.498
   45   1HG1  VAL  11          1HG1      VAL  11  -5.921 -12.880   0.235
   46   2HG1  VAL  11          2HG1      VAL  11  -6.967 -12.191  -1.008
   47   3HG1  VAL  11          3HG1      VAL  11  -5.397 -11.460  -0.672
   48   1HG2  VAL  11          1HG2      VAL  11  -6.852 -14.533  -2.588
   49   2HG2  VAL  11          2HG2      VAL  11  -6.496 -14.839  -0.888
   50   3HG2  VAL  11          3HG2      VAL  11  -5.392 -15.413  -2.136
   51    HA   PRO  12           HA       PRO  12  -3.515  -8.969  -4.010
   52   1HB   PRO  12          1HB       PRO  12  -5.472  -7.215  -4.790
   53   2HB   PRO  12          2HB       PRO  12  -4.693  -8.347  -5.907
   54   1HG   PRO  12          1HG       PRO  12  -7.326  -8.540  -4.528
   55   2HG   PRO  12          2HG       PRO  12  -6.891  -8.967  -6.188
   56   1HD   PRO  12          1HD       PRO  12  -7.173 -10.802  -4.193
   57   2HD   PRO  12          2HD       PRO  12  -6.081 -11.029  -5.575
   58    H    LEU  13           H        LEU  13  -4.623  -6.424  -3.312
   59    HA   LEU  13           HA       LEU  13  -4.346  -6.308  -0.526
   60   1HB   LEU  13          1HB       LEU  13  -5.485  -4.653  -2.711
   61   2HB   LEU  13          2HB       LEU  13  -5.985  -4.203  -1.084
   62    HG   LEU  13           HG       LEU  13  -3.914  -3.015  -1.843
   63   1HD1  LEU  13          1HD1      LEU  13  -3.391  -4.933   0.440
   64   2HD1  LEU  13          2HD1      LEU  13  -4.400  -3.494   0.574
   65   3HD1  LEU  13          3HD1      LEU  13  -2.684  -3.335   0.213
   66   1HD2  LEU  13          1HD2      LEU  13  -2.843  -4.645  -3.218
   67   2HD2  LEU  13          2HD2      LEU  13  -2.858  -5.849  -1.930
   68   3HD2  LEU  13          3HD2      LEU  13  -1.799  -4.445  -1.811
   69    HA   PRO  14           HA       PRO  14  -8.257  -7.557   1.052
   70   1HB   PRO  14          1HB       PRO  14  -8.706  -5.812   3.108
   71   2HB   PRO  14          2HB       PRO  14  -7.454  -7.063   3.153
   72   1HG   PRO  14          1HG       PRO  14  -7.191  -4.161   2.844
   73   2HG   PRO  14          2HG       PRO  14  -6.007  -5.347   3.393
   74   1HD   PRO  14          1HD       PRO  14  -6.206  -4.123   0.826
   75   2HD   PRO  14          2HD       PRO  14  -5.045  -5.355   1.353
   76    H    ALA  15           H        ALA  15 -10.570  -6.788   1.629
   77    HA   ALA  15           HA       ALA  15 -11.653  -5.260  -0.556
   78   1HB   ALA  15          1HB       ALA  15 -13.675  -5.942   0.359
   79   2HB   ALA  15          2HB       ALA  15 -13.128  -5.685   2.015
   80   3HB   ALA  15          3HB       ALA  15 -12.593  -7.107   1.121
   81    H    GLY  16           H        GLY  16 -12.618  -3.152  -0.494
   82   1HA   GLY  16          1HA       GLY  16 -12.730  -0.893   0.131
   83   2HA   GLY  16          2HA       GLY  16 -12.790  -1.480   1.793
   84    H    TRP  17           H        TRP  17 -10.178  -1.828  -0.615
   85    HA   TRP  17           HA       TRP  17  -8.475  -0.004   1.015
   86   1HB   TRP  17          1HB       TRP  17  -8.346  -2.940   0.832
   87   2HB   TRP  17          2HB       TRP  17  -6.811  -2.144   0.502
   88    HD1  TRP  17           HD1      TRP  17  -9.369  -2.696   3.268
   89    HE1  TRP  17           HE1      TRP  17  -8.339  -1.938   5.508
   90    HE3  TRP  17           HE3      TRP  17  -5.093  -0.501   1.566
   91    HZ2  TRP  17           HZ2      TRP  17  -5.999  -0.578   6.449
   92    HZ3  TRP  17           HZ3      TRP  17  -3.482   0.519   3.146
   93    HH2  TRP  17           HH2      TRP  17  -3.927   0.484   5.584
   94    H    GLU  18           H        GLU  18  -8.311   1.429  -0.801
   95    HA   GLU  18           HA       GLU  18  -7.557   0.426  -3.451
   96   1HB   GLU  18          1HB       GLU  18  -8.870   2.582  -2.711
   97   2HB   GLU  18          2HB       GLU  18  -7.263   3.269  -2.471
   98   1HG   GLU  18          1HG       GLU  18  -7.067   3.641  -4.671
   99   2HG   GLU  18          2HG       GLU  18  -7.290   1.920  -4.994
  100    H    MET  19           H        MET  19  -5.481   1.859  -4.332
  101    HA   MET  19           HA       MET  19  -3.303   1.801  -2.324
  102   1HB   MET  19          1HB       MET  19  -1.959   0.389  -3.866
  103   2HB   MET  19          2HB       MET  19  -3.364  -0.443  -3.220
  104   1HG   MET  19          1HG       MET  19  -3.674   1.048  -5.797
  105   2HG   MET  19          2HG       MET  19  -2.808  -0.489  -5.833
  106   1HE   MET  19          1HE       MET  19  -3.422  -2.332  -4.542
  107   2HE   MET  19          2HE       MET  19  -4.933  -3.155  -4.919
  108   3HE   MET  19          3HE       MET  19  -4.772  -2.277  -3.401
  109    H    ALA  20           H        ALA  20  -1.309   2.800  -3.250
  110    HA   ALA  20           HA       ALA  20  -1.473   4.221  -5.779
  111   1HB   ALA  20          1HB       ALA  20  -2.417   5.385  -3.212
  112   2HB   ALA  20          2HB       ALA  20  -2.925   5.747  -4.861
  113   3HB   ALA  20          3HB       ALA  20  -1.437   6.445  -4.223
  114    H    LYS  21           H        LYS  21   0.559   5.097  -6.314
  115    HA   LYS  21           HA       LYS  21   2.743   4.439  -4.402
  116   1HB   LYS  21          1HB       LYS  21   4.129   4.430  -6.428
  117   2HB   LYS  21          2HB       LYS  21   2.695   3.434  -6.677
  118   1HG   LYS  21          1HG       LYS  21   1.854   5.961  -7.461
  119   2HG   LYS  21          2HG       LYS  21   3.515   5.893  -8.043
  120   1HD   LYS  21          1HD       LYS  21   3.007   3.689  -9.104
  121   2HD   LYS  21          2HD       LYS  21   1.325   3.869  -8.603
  122   1HE   LYS  21          1HE       LYS  21   0.973   5.718 -10.048
  123   2HE   LYS  21          2HE       LYS  21   2.713   5.997 -10.250
  124   1HZ   LYS  21          1HZ       LYS  21   1.654   4.767 -12.129
  125   2HZ   LYS  21          2HZ       LYS  21   1.326   3.493 -11.054
  126   3HZ   LYS  21          3HZ       LYS  21   2.932   3.930 -11.394
  127    H    THR  22           H        THR  22   3.681   6.106  -3.314
  128    HA   THR  22           HA       THR  22   3.326   8.880  -4.382
  129    HB   THR  22           HB       THR  22   2.526   8.392  -2.108
  130    HG1  THR  22           HG1      THR  22   3.586  10.414  -2.592
  131   1HG2  THR  22          1HG2      THR  22   4.356   7.865  -0.382
  132   2HG2  THR  22          2HG2      THR  22   5.350   7.392  -1.758
  133   3HG2  THR  22          3HG2      THR  22   3.841   6.543  -1.428
  134    H    SER  23           H        SER  23   5.391   6.775  -5.226
  135    HA   SER  23           HA       SER  23   7.639   8.532  -5.571
  136   1HB   SER  23          1HB       SER  23   7.410   7.425  -3.022
  137   2HB   SER  23          2HB       SER  23   8.574   6.371  -3.826
  138    HG   SER  23           HG       SER  23   9.968   7.944  -3.908
  139    H    SER  24           H        SER  24   9.644   6.390  -5.536
  140    HA   SER  24           HA       SER  24   9.371   5.285  -8.118
  141   1HB   SER  24          1HB       SER  24  10.839   4.355  -5.632
  142   2HB   SER  24          2HB       SER  24  11.109   3.659  -7.228
  143    HG   SER  24           HG       SER  24  12.562   5.242  -7.163
  144    H    GLY  25           H        GLY  25   9.188   3.295  -5.155
  145   1HA   GLY  25          1HA       GLY  25   6.903   1.819  -6.402
  146   2HA   GLY  25          2HA       GLY  25   8.208   0.965  -5.576
  147    H    GLN  26           H        GLN  26   6.958   4.047  -4.448
  148    HA   GLN  26           HA       GLN  26   6.386   2.919  -1.816
  149   1HB   GLN  26          1HB       GLN  26   7.096   5.362  -2.854
  150   2HB   GLN  26          2HB       GLN  26   5.384   5.606  -2.512
  151   1HG   GLN  26          1HG       GLN  26   6.255   6.135  -0.439
  152   2HG   GLN  26          2HG       GLN  26   6.058   4.394  -0.226
  153   1HE2  GLN  26          1HE2      GLN  26   7.896   3.574   0.780
  154   2HE2  GLN  26          2HE2      GLN  26   9.492   4.035   0.429
  155    H    ARG  27           H        ARG  27   4.776   1.455  -3.365
  156    HA   ARG  27           HA       ARG  27   2.188   2.527  -4.000
  157   1HB   ARG  27          1HB       ARG  27   1.565  -0.007  -3.749
  158   2HB   ARG  27          2HB       ARG  27   2.650   0.481  -5.035
  159   1HG   ARG  27          1HG       ARG  27   3.317  -1.582  -3.684
  160   2HG   ARG  27          2HG       ARG  27   4.561  -0.364  -3.898
  161   1HD   ARG  27          1HD       ARG  27   3.940   0.536  -1.603
  162   2HD   ARG  27          2HD       ARG  27   2.880  -0.870  -1.420
  163    HE   ARG  27           HE       ARG  27   5.305  -1.936  -2.272
  164   1HH1  ARG  27          1HH1      ARG  27   4.263   0.100   0.355
  165   2HH1  ARG  27          2HH1      ARG  27   5.502  -0.460   1.423
  166   1HH2  ARG  27          1HH2      ARG  27   6.902  -2.646  -0.865
  167   2HH2  ARG  27          2HH2      ARG  27   6.984  -2.001   0.742
  168    H    TYR  28           H        TYR  28   2.107   3.778  -1.796
  169    HA   TYR  28           HA       TYR  28   1.523   2.286   0.596
  170   1HB   TYR  28          1HB       TYR  28   0.903   4.440   1.485
  171   2HB   TYR  28          2HB       TYR  28   2.229   4.731   0.361
  172    HD1  TYR  28           HD1      TYR  28   1.881   5.913  -1.716
  173    HD2  TYR  28           HD2      TYR  28  -1.415   4.966   0.861
  174    HE1  TYR  28           HE1      TYR  28   0.423   7.428  -3.021
  175    HE2  TYR  28           HE2      TYR  28  -2.867   6.481  -0.439
  176    HH   TYR  28           HH       TYR  28  -2.287   8.691  -2.015
  177    H    PHE  29           H        PHE  29  -0.345   1.365   1.266
  178    HA   PHE  29           HA       PHE  29  -2.473   1.193  -0.729
  179   1HB   PHE  29          1HB       PHE  29  -1.722  -0.218   1.810
  180   2HB   PHE  29          2HB       PHE  29  -3.252  -0.557   0.984
  181    HD1  PHE  29           HD1      PHE  29  -3.225  -1.170  -1.443
  182    HD2  PHE  29           HD2      PHE  29   0.373  -0.956   0.885
  183    HE1  PHE  29           HE1      PHE  29  -2.014  -2.402  -3.215
  184    HE2  PHE  29           HE2      PHE  29   1.583  -2.205  -0.879
  185    HZ   PHE  29           HZ       PHE  29   0.392  -2.922  -2.934
  186    H    LEU  30           H        LEU  30  -4.237   2.255  -0.725
  187    HA   LEU  30           HA       LEU  30  -4.900   4.246   1.296
  188   1HB   LEU  30          1HB       LEU  30  -5.707   3.329  -1.421
  189   2HB   LEU  30          2HB       LEU  30  -6.866   4.324  -0.532
  190    HG   LEU  30           HG       LEU  30  -3.976   5.025  -1.088
  191   1HD1  LEU  30          1HD1      LEU  30  -4.891   5.514  -3.127
  192   2HD1  LEU  30          2HD1      LEU  30  -5.493   6.945  -2.288
  193   3HD1  LEU  30          3HD1      LEU  30  -6.537   5.538  -2.494
  194   1HD2  LEU  30          1HD2      LEU  30  -4.360   6.299   0.782
  195   2HD2  LEU  30          2HD2      LEU  30  -6.109   6.147   0.645
  196   3HD2  LEU  30          3HD2      LEU  30  -5.248   7.329  -0.340
  197    H    ASN  31           H        ASN  31  -5.931   3.526   3.141
  198    HA   ASN  31           HA       ASN  31  -7.706   1.189   3.125
  199   1HB   ASN  31          1HB       ASN  31  -6.117   1.963   4.971
  200   2HB   ASN  31          2HB       ASN  31  -7.257   3.271   5.282
  201   1HD2  ASN  31          1HD2      ASN  31  -7.080   1.746   7.444
  202   2HD2  ASN  31          2HD2      ASN  31  -8.337   0.612   7.573
  203    H    HIS  32           H        HIS  32  -9.753   1.449   2.287
  204    HA   HIS  32           HA       HIS  32 -11.050   4.089   2.232
  205   1HB   HIS  32          1HB       HIS  32 -11.118   1.647   0.805
  206   2HB   HIS  32          2HB       HIS  32 -12.722   1.838   1.514
  207    HD1  HIS  32           HD1      HIS  32 -13.971   4.147   0.970
  208    HD2  HIS  32           HD2      HIS  32 -10.588   3.363  -1.338
  209    HE1  HIS  32           HE1      HIS  32 -14.076   5.718  -1.014
  210    H    ILE  33           H        ILE  33 -11.782   0.896   3.696
  211    HA   ILE  33           HA       ILE  33 -14.132   1.571   5.090
  212    HB   ILE  33           HB       ILE  33 -13.392  -0.295   6.608
  213   1HG1  ILE  33          1HG1      ILE  33 -10.967  -0.701   4.932
  214   2HG1  ILE  33          2HG1      ILE  33 -10.877   0.578   6.141
  215   1HG2  ILE  33          1HG2      ILE  33 -12.754  -0.910   3.717
  216   2HG2  ILE  33          2HG2      ILE  33 -14.399  -0.601   4.275
  217   3HG2  ILE  33          3HG2      ILE  33 -13.494  -1.972   4.915
  218   1HD1  ILE  33          1HD1      ILE  33 -10.951  -2.340   6.503
  219   2HD1  ILE  33          2HD1      ILE  33 -12.068  -1.466   7.551
  220   3HD1  ILE  33          3HD1      ILE  33 -10.345  -1.089   7.589
  221    H    ASP  34           H        ASP  34 -10.838   2.537   5.730
  222    HA   ASP  34           HA       ASP  34 -11.776   3.918   8.222
  223   1HB   ASP  34          1HB       ASP  34  -9.826   1.866   7.852
  224   2HB   ASP  34          2HB       ASP  34  -8.969   3.342   8.295
  225    H    GLN  35           H        GLN  35 -10.675   4.392   5.111
  226    HA   GLN  35           HA       GLN  35  -9.655   6.213   4.013
  227   1HB   GLN  35          1HB       GLN  35 -10.569   7.578   6.562
  228   2HB   GLN  35          2HB       GLN  35 -10.267   8.362   5.011
  229   1HG   GLN  35          1HG       GLN  35 -12.050   6.933   3.994
  230   2HG   GLN  35          2HG       GLN  35 -12.398   6.283   5.597
  231   1HE2  GLN  35          1HE2      GLN  35 -12.517   8.358   7.292
  232   2HE2  GLN  35          2HE2      GLN  35 -13.590   9.565   6.771
  233    H    THR  36           H        THR  36  -7.498   5.129   4.447
  234    HA   THR  36           HA       THR  36  -5.728   7.004   5.892
  235    HB   THR  36           HB       THR  36  -5.393   4.145   6.653
  236    HG1  THR  36           HG1      THR  36  -7.219   4.001   7.661
  237   1HG2  THR  36          1HG2      THR  36  -3.875   5.432   7.790
  238   2HG2  THR  36          2HG2      THR  36  -5.221   5.572   8.922
  239   3HG2  THR  36          3HG2      THR  36  -4.907   6.862   7.761
  240    H    THR  37           H        THR  37  -3.362   5.917   5.775
  241    HA   THR  37           HA       THR  37  -3.042   4.512   3.150
  242    HB   THR  37           HB       THR  37  -1.265   6.143   2.590
  243    HG1  THR  37           HG1      THR  37  -0.721   6.640   4.762
  244   1HG2  THR  37          1HG2      THR  37  -2.833   7.442   1.643
  245   2HG2  THR  37          2HG2      THR  37  -3.271   8.130   3.207
  246   3HG2  THR  37          3HG2      THR  37  -4.035   6.642   2.653
  247    H    THR  38           H        THR  38  -1.636   2.803   3.388
  248    HA   THR  38           HA       THR  38   0.334   2.920   5.650
  249    HB   THR  38           HB       THR  38  -1.654   1.434   6.025
  250    HG1  THR  38           HG1      THR  38   0.756   0.002   5.619
  251   1HG2  THR  38          1HG2      THR  38  -2.226  -0.287   4.597
  252   2HG2  THR  38          2HG2      THR  38  -0.583  -0.469   3.987
  253   3HG2  THR  38          3HG2      THR  38  -1.589   0.864   3.423
  254    H    TRP  39           H        TRP  39   2.241   1.431   5.254
  255    HA   TRP  39           HA       TRP  39   3.007   1.542   2.368
  256   1HB   TRP  39          1HB       TRP  39   4.689   1.102   4.860
  257   2HB   TRP  39          2HB       TRP  39   5.284   1.480   3.245
  258    HD1  TRP  39           HD1      TRP  39   4.211   3.069   6.402
  259    HE1  TRP  39           HE1      TRP  39   4.030   5.625   6.115
  260    HE3  TRP  39           HE3      TRP  39   4.497   3.409   1.314
  261    HZ2  TRP  39           HZ2      TRP  39   4.008   7.557   4.008
  262    HZ3  TRP  39           HZ3      TRP  39   4.392   5.618   0.195
  263    HH2  TRP  39           HH2      TRP  39   4.148   7.691   1.534
  264    H    GLN  40           H        GLN  40   3.838  -0.626   5.101
  265    HA   GLN  40           HA       GLN  40   4.423  -2.906   3.518
  266   1HB   GLN  40          1HB       GLN  40   3.315  -2.690   6.338
  267   2HB   GLN  40          2HB       GLN  40   4.161  -4.090   5.678
  268   1HG   GLN  40          1HG       GLN  40   6.181  -3.135   6.013
  269   2HG   GLN  40          2HG       GLN  40   5.661  -1.618   5.277
  270   1HE2  GLN  40          1HE2      GLN  40   6.423  -0.167   6.907
  271   2HE2  GLN  40          2HE2      GLN  40   5.854  -0.187   8.505
  272    H    ASP  41           H        ASP  41   2.879  -3.523   1.985
  273    HA   ASP  41           HA       ASP  41   0.081  -3.383   2.156
  274   1HB   ASP  41          1HB       ASP  41   0.153  -5.124   0.413
  275   2HB   ASP  41          2HB       ASP  41   1.448  -3.955   0.161
  276    HA   PRO  42           HA       PRO  42  -0.941  -6.345   5.265
  277   1HB   PRO  42          1HB       PRO  42  -3.516  -6.908   4.523
  278   2HB   PRO  42          2HB       PRO  42  -3.048  -5.394   5.322
  279   1HG   PRO  42          1HG       PRO  42  -3.548  -5.942   2.433
  280   2HG   PRO  42          2HG       PRO  42  -4.008  -4.538   3.407
  281   1HD   PRO  42          1HD       PRO  42  -1.880  -4.548   1.708
  282   2HD   PRO  42          2HD       PRO  42  -1.945  -3.550   3.177
  283    H    ARG  43           H        ARG  43  -1.034  -7.065   1.866
  284    HA   ARG  43           HA       ARG  43  -1.643  -9.915   2.188
  285   1HB   ARG  43          1HB       ARG  43  -0.599  -8.230  -0.111
  286   2HB   ARG  43          2HB       ARG  43  -1.120  -9.907  -0.260
  287   1HG   ARG  43          1HG       ARG  43  -2.824  -7.538   0.571
  288   2HG   ARG  43          2HG       ARG  43  -2.963  -8.467  -0.920
  289   1HD   ARG  43          1HD       ARG  43  -3.528  -9.452   1.898
  290   2HD   ARG  43          2HD       ARG  43  -4.691  -9.272   0.575
  291    HE   ARG  43           HE       ARG  43  -2.792 -10.923  -0.527
  292   1HH1  ARG  43          1HH1      ARG  43  -4.571 -10.988   2.464
  293   2HH1  ARG  43          2HH1      ARG  43  -4.518 -12.713   2.585
  294   1HH2  ARG  43          1HH2      ARG  43  -2.736 -13.160  -0.347
  295   2HH2  ARG  43          2HH2      ARG  43  -3.488 -13.935   1.007
  296    H    LYS  44           H        LYS  44   1.197  -8.480   0.563
  297    HA   LYS  44           HA       LYS  44   3.159  -9.622   2.345
  298   1HB   LYS  44          1HB       LYS  44   3.824 -11.505   0.855
  299   2HB   LYS  44          2HB       LYS  44   2.178 -11.693   1.459
  300   1HG   LYS  44          1HG       LYS  44   1.710 -12.041  -0.757
  301   2HG   LYS  44          2HG       LYS  44   1.689 -10.277  -0.803
  302   1HD   LYS  44          1HD       LYS  44   3.442 -10.280  -2.213
  303   2HD   LYS  44          2HD       LYS  44   4.407 -11.158  -1.028
  304   1HE   LYS  44          1HE       LYS  44   3.450 -13.301  -1.844
  305   2HE   LYS  44          2HE       LYS  44   2.514 -12.406  -3.056
  306   1HZ   LYS  44          1HZ       LYS  44   4.628 -11.425  -3.833
  307   2HZ   LYS  44          2HZ       LYS  44   4.593 -13.114  -4.026
  308   3HZ   LYS  44          3HZ       LYS  44   5.475 -12.419  -2.751
  309    H    GLY   3           H        GLY   3   6.988   9.360   6.751
  310   1HA   GLY   3          1HA       GLY   3   4.970  10.233   7.628
  311   2HA   GLY   3          2HA       GLY   3   5.109  11.589   6.507
  312    HA   PRO   4           HA       PRO   4   2.309   8.053   4.884
  313   1HB   PRO   4          1HB       PRO   4  -0.100   8.595   6.062
  314   2HB   PRO   4          2HB       PRO   4   1.072   7.452   6.741
  315   1HG   PRO   4          1HG       PRO   4   0.511  10.277   7.506
  316   2HG   PRO   4          2HG       PRO   4   0.871   8.883   8.534
  317   1HD   PRO   4          1HD       PRO   4   2.703  10.803   7.889
  318   2HD   PRO   4          2HD       PRO   4   3.136   9.125   8.277
  319    HA   PRO   5           HA       PRO   5   0.963  11.215   2.094
  320   1HB   PRO   5          1HB       PRO   5  -0.540   9.681   0.396
  321   2HB   PRO   5          2HB       PRO   5   1.234   9.676   0.392
  322   1HG   PRO   5          1HG       PRO   5  -0.672   7.727   1.594
  323   2HG   PRO   5          2HG       PRO   5   0.864   7.437   0.764
  324   1HD   PRO   5          1HD       PRO   5   0.573   7.386   3.481
  325   2HD   PRO   5          2HD       PRO   5   2.096   7.785   2.661
  326    HA   PRO   6           HA       PRO   6  -3.063  12.309   3.541
  327   1HB   PRO   6          1HB       PRO   6  -3.865  14.026   1.566
  328   2HB   PRO   6          2HB       PRO   6  -2.647  14.452   2.782
  329   1HG   PRO   6          1HG       PRO   6  -2.289  13.589  -0.047
  330   2HG   PRO   6          2HG       PRO   6  -1.400  14.805   0.881
  331   1HD   PRO   6          1HD       PRO   6  -0.465  12.283   0.381
  332   2HD   PRO   6          2HD       PRO   6   0.017  13.252   1.788
  333    H    TYR   7           H        TYR   7  -5.334  11.910   3.089
  334    HA   TYR   7           HA       TYR   7  -6.133  10.746   0.511
  335   1HB   TYR   7          1HB       TYR   7  -4.957   8.887   1.599
  336   2HB   TYR   7          2HB       TYR   7  -5.933   9.098   3.054
  337    HD1  TYR   7           HD1      TYR   7  -7.289   7.180   3.215
  338    HD2  TYR   7           HD2      TYR   7  -6.923   9.205  -0.557
  339    HE1  TYR   7           HE1      TYR   7  -9.037   5.709   2.253
  340    HE2  TYR   7           HE2      TYR   7  -8.673   7.735  -1.514
  341    HH   TYR   7           HH       TYR   7 -10.600   5.647   0.453
  342   1HN   NH2   8          1HN       NH2   8  -7.784  12.489   0.700
  343   2HN   NH2   8          2HN       NH2   8  -9.088  12.333   1.777
  344   1H1   OCT   2          1H1       OCT   2   6.776  12.062   5.551
  345   2H1   OCT   2          2H1       OCT   2   7.699  10.855   4.635
  346   1H2   OCT   2          1H2       OCT   2   8.786  10.402   7.027
  347   2H2   OCT   2          2H2       OCT   2   8.287  12.068   7.319
  348   1H3   OCT   2          1H3       OCT   2  10.014  11.115   5.013
  349   2H3   OCT   2          2H3       OCT   2  10.588  11.983   6.437
  350   1H4   OCT   2          1H4       OCT   2  10.190  13.889   5.291
  351   2H4   OCT   2          2H4       OCT   2   8.471  13.540   5.482
  352   1H5   OCT   2          1H5       OCT   2   9.052  13.901   3.104
  353   2H5   OCT   2          2H5       OCT   2   8.500  12.248   3.380
  354   1H6   OCT   2          1H6       OCT   2  11.300  12.266   3.846
  355   2H6   OCT   2          2H6       OCT   2  11.031  13.150   2.344
  356   1H7   OCT   2          1H7       OCT   2   9.421  10.693   2.612
  357   2H7   OCT   2          2H7       OCT   2  11.160  10.414   2.536
  358   1H8   OCT   2          1H8       OCT   2   9.462  11.936   0.538
  359   2H8   OCT   2          2H8       OCT   2  10.304  10.410   0.271
  360   3H8   OCT   2          3H8       OCT   2  11.225  11.898   0.498
  Start of MODEL    7
    1    H    PHE   5           H        PHE   5  12.962 -13.413  -0.005
    2    HA   PHE   5           HA       PHE   5  13.325 -11.209  -0.783
    3   1HB   PHE   5          1HB       PHE   5  12.306 -12.874  -2.805
    4   2HB   PHE   5          2HB       PHE   5  11.392 -11.373  -2.952
    5    HD1  PHE   5           HD1      PHE   5  14.897 -12.626  -2.517
    6    HD2  PHE   5           HD2      PHE   5  12.338  -9.541  -4.060
    7    HE1  PHE   5           HE1      PHE   5  16.855 -11.534  -3.579
    8    HE2  PHE   5           HE2      PHE   5  14.295  -8.448  -5.122
    9    HZ   PHE   5           HZ       PHE   5  16.553  -9.446  -4.881
   10    H    GLU   6           H        GLU   6  11.355  -9.578  -2.191
   11    HA   GLU   6           HA       GLU   6   9.928  -8.486   0.090
   12   1HB   GLU   6          1HB       GLU   6   9.745  -7.957  -2.895
   13   2HB   GLU   6          2HB       GLU   6   9.111  -6.901  -1.634
   14   1HG   GLU   6          1HG       GLU   6  11.983  -7.711  -1.458
   15   2HG   GLU   6          2HG       GLU   6  11.541  -6.519  -2.680
   16    H    ILE   7           H        ILE   7   7.454  -7.784  -1.110
   17    HA   ILE   7           HA       ILE   7   5.798 -10.001  -0.446
   18    HB   ILE   7           HB       ILE   7   5.151  -7.606  -0.470
   19   1HG1  ILE   7          1HG1      ILE   7   3.516  -9.350  -2.341
   20   2HG1  ILE   7          2HG1      ILE   7   3.389  -9.325  -0.583
   21   1HG2  ILE   7          1HG2      ILE   7   5.292  -7.956  -3.481
   22   2HG2  ILE   7          2HG2      ILE   7   6.356  -6.944  -2.505
   23   3HG2  ILE   7          3HG2      ILE   7   4.646  -6.538  -2.655
   24   1HD1  ILE   7          1HD1      ILE   7   1.806  -7.733  -0.880
   25   2HD1  ILE   7          2HD1      ILE   7   2.276  -7.466  -2.557
   26   3HD1  ILE   7          3HD1      ILE   7   3.145  -6.650  -1.257
   27    HA   PRO   8           HA       PRO   8   6.120 -12.388  -4.165
   28   1HB   PRO   8          1HB       PRO   8   3.879 -13.930  -3.870
   29   2HB   PRO   8          2HB       PRO   8   5.363 -14.194  -2.936
   30   1HG   PRO   8          1HG       PRO   8   2.832 -12.839  -2.142
   31   2HG   PRO   8          2HG       PRO   8   3.888 -13.897  -1.197
   32   1HD   PRO   8          1HD       PRO   8   3.865 -11.169  -0.977
   33   2HD   PRO   8          2HD       PRO   8   5.277 -12.176  -0.602
   34    H    ASP   9           H        ASP   9   3.992 -13.294  -5.719
   35    HA   ASP   9           HA       ASP   9   2.534 -10.782  -6.473
   36   1HB   ASP   9          1HB       ASP   9   4.632 -11.629  -7.822
   37   2HB   ASP   9          2HB       ASP   9   3.494 -12.808  -8.477
   38    H    ASP  10           H        ASP  10   1.830 -13.423  -5.001
   39    HA   ASP  10           HA       ASP  10  -0.439 -14.226  -6.795
   40   1HB   ASP  10          1HB       ASP  10   1.128 -15.772  -4.703
   41   2HB   ASP  10          2HB       ASP  10  -0.247 -16.415  -5.600
   42    H    VAL  11           H        VAL  11  -0.798 -11.994  -5.159
   43    HA   VAL  11           HA       VAL  11  -3.054 -12.780  -3.537
   44    HB   VAL  11           HB       VAL  11  -1.245 -13.616  -2.111
   45   1HG1  VAL  11          1HG1      VAL  11   0.371 -11.816  -3.135
   46   2HG1  VAL  11          2HG1      VAL  11   0.613 -12.347  -1.471
   47   3HG1  VAL  11          3HG1      VAL  11  -0.197 -10.815  -1.798
   48   1HG2  VAL  11          1HG2      VAL  11  -3.291 -12.349  -1.169
   49   2HG2  VAL  11          2HG2      VAL  11  -2.168 -11.020  -0.878
   50   3HG2  VAL  11          3HG2      VAL  11  -1.914 -12.576  -0.091
   51    HA   PRO  12           HA       PRO  12  -3.199  -8.406  -4.744
   52   1HB   PRO  12          1HB       PRO  12  -5.928  -8.194  -4.602
   53   2HB   PRO  12          2HB       PRO  12  -5.084  -8.874  -6.004
   54   1HG   PRO  12          1HG       PRO  12  -6.436 -10.258  -3.737
   55   2HG   PRO  12          2HG       PRO  12  -6.457 -10.645  -5.463
   56   1HD   PRO  12          1HD       PRO  12  -4.908 -11.968  -3.661
   57   2HD   PRO  12          2HD       PRO  12  -4.446 -11.758  -5.365
   58    H    LEU  13           H        LEU  13  -5.223  -6.815  -3.528
   59    HA   LEU  13           HA       LEU  13  -4.266  -6.829  -0.708
   60   1HB   LEU  13          1HB       LEU  13  -4.779  -4.893  -2.749
   61   2HB   LEU  13          2HB       LEU  13  -5.873  -4.561  -1.406
   62    HG   LEU  13           HG       LEU  13  -3.488  -5.142  -0.128
   63   1HD1  LEU  13          1HD1      LEU  13  -2.273  -5.122  -2.258
   64   2HD1  LEU  13          2HD1      LEU  13  -1.803  -3.730  -1.282
   65   3HD1  LEU  13          3HD1      LEU  13  -2.923  -3.525  -2.629
   66   1HD2  LEU  13          1HD2      LEU  13  -5.035  -2.702  -0.822
   67   2HD2  LEU  13          2HD2      LEU  13  -3.400  -2.450  -0.225
   68   3HD2  LEU  13          3HD2      LEU  13  -4.565  -3.324   0.759
   69    HA   PRO  14           HA       PRO  14  -8.347  -7.599   0.787
   70   1HB   PRO  14          1HB       PRO  14  -8.747  -5.748   2.763
   71   2HB   PRO  14          2HB       PRO  14  -7.582  -7.076   2.893
   72   1HG   PRO  14          1HG       PRO  14  -7.111  -4.216   2.552
   73   2HG   PRO  14          2HG       PRO  14  -6.000  -5.479   3.080
   74   1HD   PRO  14          1HD       PRO  14  -6.229  -4.254   0.479
   75   2HD   PRO  14          2HD       PRO  14  -5.031  -5.439   1.038
   76    H    ALA  15           H        ALA  15 -10.633  -6.720   1.195
   77    HA   ALA  15           HA       ALA  15 -11.488  -5.095  -1.047
   78   1HB   ALA  15          1HB       ALA  15 -13.529  -5.934  -0.446
   79   2HB   ALA  15          2HB       ALA  15 -13.300  -5.531   1.256
   80   3HB   ALA  15          3HB       ALA  15 -12.571  -6.992   0.589
   81    H    GLY  16           H        GLY  16 -12.883  -3.102  -0.712
   82   1HA   GLY  16          1HA       GLY  16 -12.999  -0.859  -0.012
   83   2HA   GLY  16          2HA       GLY  16 -12.964  -1.534   1.618
   84    H    TRP  17           H        TRP  17 -10.317  -2.130  -0.560
   85    HA   TRP  17           HA       TRP  17  -8.653  -0.114   0.909
   86   1HB   TRP  17          1HB       TRP  17  -8.566  -3.037   0.784
   87   2HB   TRP  17          2HB       TRP  17  -7.025  -2.303   0.350
   88    HD1  TRP  17           HD1      TRP  17  -9.448  -2.717   3.247
   89    HE1  TRP  17           HE1      TRP  17  -8.295  -1.934   5.417
   90    HE3  TRP  17           HE3      TRP  17  -5.202  -0.669   1.294
   91    HZ2  TRP  17           HZ2      TRP  17  -5.885  -0.611   6.216
   92    HZ3  TRP  17           HZ3      TRP  17  -3.498   0.343   2.773
   93    HH2  TRP  17           HH2      TRP  17  -3.831   0.376   5.233
   94    H    GLU  18           H        GLU  18  -8.230   1.325  -0.785
   95    HA   GLU  18           HA       GLU  18  -7.632   0.310  -3.500
   96   1HB   GLU  18          1HB       GLU  18  -8.944   2.458  -2.747
   97   2HB   GLU  18          2HB       GLU  18  -7.337   3.153  -2.517
   98   1HG   GLU  18          1HG       GLU  18  -7.155   3.529  -4.718
   99   2HG   GLU  18          2HG       GLU  18  -7.386   1.812  -5.047
  100    H    MET  19           H        MET  19  -5.569   1.753  -4.413
  101    HA   MET  19           HA       MET  19  -3.369   1.677  -2.420
  102   1HB   MET  19          1HB       MET  19  -2.034   0.292  -3.970
  103   2HB   MET  19          2HB       MET  19  -3.469  -0.543  -3.412
  104   1HG   MET  19          1HG       MET  19  -3.739   1.035  -5.912
  105   2HG   MET  19          2HG       MET  19  -2.791  -0.452  -5.997
  106   1HE   MET  19          1HE       MET  19  -4.580  -2.222  -3.545
  107   2HE   MET  19          2HE       MET  19  -3.409  -2.490  -4.834
  108   3HE   MET  19          3HE       MET  19  -5.001  -3.238  -4.931
  109    H    ALA  20           H        ALA  20  -1.394   2.717  -3.329
  110    HA   ALA  20           HA       ALA  20  -1.538   4.179  -5.830
  111   1HB   ALA  20          1HB       ALA  20  -1.615   6.413  -4.402
  112   2HB   ALA  20          2HB       ALA  20  -2.410   5.376  -3.219
  113   3HB   ALA  20          3HB       ALA  20  -3.111   5.578  -4.823
  114    H    LYS  21           H        LYS  21   0.520   4.969  -6.341
  115    HA   LYS  21           HA       LYS  21   2.641   4.433  -4.315
  116   1HB   LYS  21          1HB       LYS  21   4.102   4.444  -6.360
  117   2HB   LYS  21          2HB       LYS  21   2.818   3.240  -6.424
  118   1HG   LYS  21          1HG       LYS  21   1.530   4.533  -7.939
  119   2HG   LYS  21          2HG       LYS  21   2.459   5.995  -7.610
  120   1HD   LYS  21          1HD       LYS  21   4.465   4.889  -8.614
  121   2HD   LYS  21          2HD       LYS  21   3.450   3.512  -9.040
  122   1HE   LYS  21          1HE       LYS  21   3.028   4.629 -10.983
  123   2HE   LYS  21          2HE       LYS  21   2.025   5.717 -10.005
  124   1HZ   LYS  21          1HZ       LYS  21   3.867   6.838 -11.260
  125   2HZ   LYS  21          2HZ       LYS  21   4.970   5.999 -10.278
  126   3HZ   LYS  21          3HZ       LYS  21   3.888   7.110  -9.585
  127    H    THR  22           H        THR  22   3.969   6.084  -3.589
  128    HA   THR  22           HA       THR  22   3.442   8.815  -4.733
  129    HB   THR  22           HB       THR  22   2.572   8.565  -2.484
  130    HG1  THR  22           HG1      THR  22   3.424  10.389  -1.925
  131   1HG2  THR  22          1HG2      THR  22   3.779   6.625  -1.729
  132   2HG2  THR  22          2HG2      THR  22   4.161   7.945  -0.622
  133   3HG2  THR  22          3HG2      THR  22   5.322   7.470  -1.861
  134    H    SER  23           H        SER  23   5.544   6.764  -5.480
  135    HA   SER  23           HA       SER  23   7.778   8.540  -5.790
  136   1HB   SER  23          1HB       SER  23   7.507   7.448  -3.230
  137   2HB   SER  23          2HB       SER  23   8.728   6.433  -3.998
  138    HG   SER  23           HG       SER  23   9.489   8.407  -2.934
  139    H    SER  24           H        SER  24   9.833   6.498  -5.720
  140    HA   SER  24           HA       SER  24   9.616   5.322  -8.273
  141   1HB   SER  24          1HB       SER  24  11.430   5.452  -6.153
  142   2HB   SER  24          2HB       SER  24  11.125   3.725  -6.343
  143    HG   SER  24           HG       SER  24  12.076   3.752  -8.219
  144    H    GLY  25           H        GLY  25   9.272   3.587  -5.152
  145   1HA   GLY  25          1HA       GLY  25   7.180   1.889  -6.429
  146   2HA   GLY  25          2HA       GLY  25   8.517   1.124  -5.569
  147    H    GLN  26           H        GLN  26   7.339   4.158  -4.362
  148    HA   GLN  26           HA       GLN  26   6.682   3.005  -1.792
  149   1HB   GLN  26          1HB       GLN  26   6.841   5.619  -3.122
  150   2HB   GLN  26          2HB       GLN  26   5.578   5.541  -1.896
  151   1HG   GLN  26          1HG       GLN  26   7.312   6.037  -0.485
  152   2HG   GLN  26          2HG       GLN  26   7.586   4.297  -0.571
  153   1HE2  GLN  26          1HE2      GLN  26   9.248   7.145  -0.770
  154   2HE2  GLN  26          2HE2      GLN  26  10.492   6.686  -1.830
  155    H    ARG  27           H        ARG  27   5.119   1.436  -3.158
  156    HA   ARG  27           HA       ARG  27   2.510   2.468  -3.901
  157   1HB   ARG  27          1HB       ARG  27   1.937  -0.006  -3.813
  158   2HB   ARG  27          2HB       ARG  27   3.314   0.375  -4.833
  159   1HG   ARG  27          1HG       ARG  27   4.730  -0.813  -3.526
  160   2HG   ARG  27          2HG       ARG  27   4.084  -0.089  -2.054
  161   1HD   ARG  27          1HD       ARG  27   2.901  -1.961  -1.621
  162   2HD   ARG  27          2HD       ARG  27   2.118  -1.869  -3.209
  163    HE   ARG  27           HE       ARG  27   3.676  -3.472  -3.972
  164   1HH1  ARG  27          1HH1      ARG  27   4.892  -1.838  -1.149
  165   2HH1  ARG  27          2HH1      ARG  27   6.317  -2.814  -1.062
  166   1HH2  ARG  27          1HH2      ARG  27   5.533  -4.727  -3.838
  167   2HH2  ARG  27          2HH2      ARG  27   6.679  -4.438  -2.572
  168    H    TYR  28           H        TYR  28   1.969   3.730  -1.903
  169    HA   TYR  28           HA       TYR  28   1.596   2.199   0.575
  170   1HB   TYR  28          1HB       TYR  28   1.005   4.318   1.513
  171   2HB   TYR  28          2HB       TYR  28   2.261   4.673   0.333
  172    HD1  TYR  28           HD1      TYR  28   1.782   5.896  -1.688
  173    HD2  TYR  28           HD2      TYR  28  -1.357   4.804   1.023
  174    HE1  TYR  28           HE1      TYR  28   0.231   7.411  -2.879
  175    HE2  TYR  28           HE2      TYR  28  -2.902   6.317  -0.161
  176    HH   TYR  28           HH       TYR  28  -2.010   7.892  -3.169
  177    H    PHE  29           H        PHE  29  -0.366   1.413   1.333
  178    HA   PHE  29           HA       PHE  29  -2.425   1.208  -0.761
  179   1HB   PHE  29          1HB       PHE  29  -1.696  -0.301   1.736
  180   2HB   PHE  29          2HB       PHE  29  -3.219  -0.615   0.884
  181    HD1  PHE  29           HD1      PHE  29   0.147  -1.624   1.005
  182    HD2  PHE  29           HD2      PHE  29  -2.927  -0.529  -1.744
  183    HE1  PHE  29           HE1      PHE  29   1.364  -2.790  -0.818
  184    HE2  PHE  29           HE2      PHE  29  -1.732  -1.689  -3.585
  185    HZ   PHE  29           HZ       PHE  29   0.423  -2.822  -3.117
  186    H    LEU  30           H        LEU  30  -4.261   2.124  -0.740
  187    HA   LEU  30           HA       LEU  30  -4.989   4.099   1.283
  188   1HB   LEU  30          1HB       LEU  30  -5.784   3.167  -1.436
  189   2HB   LEU  30          2HB       LEU  30  -6.939   4.161  -0.541
  190    HG   LEU  30           HG       LEU  30  -4.050   4.863  -1.110
  191   1HD1  LEU  30          1HD1      LEU  30  -6.484   6.275  -2.195
  192   2HD1  LEU  30          2HD1      LEU  30  -5.817   4.870  -3.027
  193   3HD1  LEU  30          3HD1      LEU  30  -4.827   6.311  -2.799
  194   1HD2  LEU  30          1HD2      LEU  30  -6.268   6.099   0.485
  195   2HD2  LEU  30          2HD2      LEU  30  -5.151   7.173  -0.358
  196   3HD2  LEU  30          3HD2      LEU  30  -4.544   6.031   0.841
  197    H    ASN  31           H        ASN  31  -6.340   3.674   2.971
  198    HA   ASN  31           HA       ASN  31  -8.042   1.217   2.893
  199   1HB   ASN  31          1HB       ASN  31  -6.283   1.700   4.696
  200   2HB   ASN  31          2HB       ASN  31  -7.342   2.999   5.240
  201   1HD2  ASN  31          1HD2      ASN  31  -7.201   1.335   7.231
  202   2HD2  ASN  31          2HD2      ASN  31  -8.452   0.190   7.289
  203    H    HIS  32           H        HIS  32 -10.088   1.752   2.143
  204    HA   HIS  32           HA       HIS  32 -11.201   4.439   2.537
  205   1HB   HIS  32          1HB       HIS  32 -11.979   1.851   1.224
  206   2HB   HIS  32          2HB       HIS  32 -13.222   3.070   1.497
  207    HD1  HIS  32           HD1      HIS  32 -13.046   5.286   0.170
  208    HD2  HIS  32           HD2      HIS  32  -9.974   2.595  -0.672
  209    HE1  HIS  32           HE1      HIS  32 -11.858   6.173  -1.883
  210    H    ILE  33           H        ILE  33 -12.001   1.135   3.689
  211    HA   ILE  33           HA       ILE  33 -14.232   1.740   5.297
  212    HB   ILE  33           HB       ILE  33 -13.457  -0.287   6.584
  213   1HG1  ILE  33          1HG1      ILE  33 -11.180  -0.610   4.694
  214   2HG1  ILE  33          2HG1      ILE  33 -10.950   0.541   6.010
  215   1HG2  ILE  33          1HG2      ILE  33 -14.685  -0.978   4.760
  216   2HG2  ILE  33          2HG2      ILE  33 -13.123  -1.662   4.310
  217   3HG2  ILE  33          3HG2      ILE  33 -13.650  -0.130   3.611
  218   1HD1  ILE  33          1HD1      ILE  33 -12.023  -2.236   6.512
  219   2HD1  ILE  33          2HD1      ILE  33 -11.306  -1.114   7.670
  220   3HD1  ILE  33          3HD1      ILE  33 -10.290  -1.910   6.468
  221    H    ASP  34           H        ASP  34 -10.865   2.508   5.793
  222    HA   ASP  34           HA       ASP  34 -11.572   3.737   8.434
  223   1HB   ASP  34          1HB       ASP  34  -9.948   1.534   7.976
  224   2HB   ASP  34          2HB       ASP  34  -8.793   2.860   8.093
  225    H    GLN  35           H        GLN  35 -10.976   4.560   5.398
  226    HA   GLN  35           HA       GLN  35  -9.743   6.227   4.250
  227   1HB   GLN  35          1HB       GLN  35 -10.225   8.421   5.356
  228   2HB   GLN  35          2HB       GLN  35 -11.629   7.360   5.267
  229   1HG   GLN  35          1HG       GLN  35 -11.427   6.753   7.574
  230   2HG   GLN  35          2HG       GLN  35  -9.834   7.500   7.699
  231   1HE2  GLN  35          1HE2      GLN  35  -9.805   9.958   7.334
  232   2HE2  GLN  35          2HE2      GLN  35 -11.158  10.848   7.842
  233    H    THR  36           H        THR  36  -7.657   4.899   4.943
  234    HA   THR  36           HA       THR  36  -5.788   6.886   6.140
  235    HB   THR  36           HB       THR  36  -4.863   4.729   7.383
  236    HG1  THR  36           HG1      THR  36  -6.461   3.278   7.837
  237   1HG2  THR  36          1HG2      THR  36  -7.307   6.318   8.208
  238   2HG2  THR  36          2HG2      THR  36  -5.621   6.693   8.570
  239   3HG2  THR  36          3HG2      THR  36  -6.390   5.285   9.305
  240    H    THR  37           H        THR  37  -3.465   6.157   5.760
  241    HA   THR  37           HA       THR  37  -3.246   4.437   3.309
  242    HB   THR  37           HB       THR  37  -1.610   6.065   2.480
  243    HG1  THR  37           HG1      THR  37  -2.216   7.617   4.762
  244   1HG2  THR  37          1HG2      THR  37  -4.348   6.514   2.766
  245   2HG2  THR  37          2HG2      THR  37  -3.259   7.369   1.672
  246   3HG2  THR  37          3HG2      THR  37  -3.606   8.034   3.269
  247    H    THR  38           H        THR  38  -1.745   2.813   3.534
  248    HA   THR  38           HA       THR  38   0.307   3.107   5.710
  249    HB   THR  38           HB       THR  38  -1.432   1.522   6.338
  250    HG1  THR  38           HG1      THR  38   0.551   0.791   6.922
  251   1HG2  THR  38          1HG2      THR  38  -2.363   1.059   4.149
  252   2HG2  THR  38          2HG2      THR  38  -1.869  -0.466   4.884
  253   3HG2  THR  38          3HG2      THR  38  -0.868   0.276   3.636
  254    H    TRP  39           H        TRP  39   2.211   1.538   5.281
  255    HA   TRP  39           HA       TRP  39   2.890   1.660   2.364
  256   1HB   TRP  39          1HB       TRP  39   4.698   1.435   4.797
  257   2HB   TRP  39          2HB       TRP  39   5.197   1.796   3.145
  258    HD1  TRP  39           HD1      TRP  39   3.893   3.386   6.273
  259    HE1  TRP  39           HE1      TRP  39   3.608   5.924   5.916
  260    HE3  TRP  39           HE3      TRP  39   4.544   3.645   1.214
  261    HZ2  TRP  39           HZ2      TRP  39   3.648   7.808   3.772
  262    HZ3  TRP  39           HZ3      TRP  39   4.414   5.826   0.041
  263    HH2  TRP  39           HH2      TRP  39   3.965   7.908   1.312
  264    H    GLN  40           H        GLN  40   3.504  -0.372   5.259
  265    HA   GLN  40           HA       GLN  40   4.557  -2.646   3.986
  266   1HB   GLN  40          1HB       GLN  40   3.789  -1.863   6.517
  267   2HB   GLN  40          2HB       GLN  40   2.657  -3.171   6.175
  268   1HG   GLN  40          1HG       GLN  40   4.862  -4.380   5.303
  269   2HG   GLN  40          2HG       GLN  40   5.639  -3.253   6.414
  270   1HE2  GLN  40          1HE2      GLN  40   3.555  -6.083   6.212
  271   2HE2  GLN  40          2HE2      GLN  40   3.474  -6.375   7.882
  272    H    ASP  41           H        ASP  41   3.644  -3.756   2.299
  273    HA   ASP  41           HA       ASP  41   1.001  -3.633   1.371
  274   1HB   ASP  41          1HB       ASP  41   3.010  -5.906   1.313
  275   2HB   ASP  41          2HB       ASP  41   1.607  -5.785   0.253
  276    HA   PRO  42           HA       PRO  42  -0.794  -5.847   4.900
  277   1HB   PRO  42          1HB       PRO  42  -3.387  -5.167   4.345
  278   2HB   PRO  42          2HB       PRO  42  -2.266  -4.089   5.199
  279   1HG   PRO  42          1HG       PRO  42  -3.113  -4.076   2.342
  280   2HG   PRO  42          2HG       PRO  42  -2.832  -2.717   3.439
  281   1HD   PRO  42          1HD       PRO  42  -1.044  -3.524   1.539
  282   2HD   PRO  42          2HD       PRO  42  -0.575  -2.708   3.044
  283    H    ARG  43           H        ARG  43   0.027  -7.549   3.040
  284    HA   ARG  43           HA       ARG  43  -2.195  -9.407   2.688
  285   1HB   ARG  43          1HB       ARG  43  -2.051  -9.354   0.185
  286   2HB   ARG  43          2HB       ARG  43  -2.641  -7.838   0.866
  287   1HG   ARG  43          1HG       ARG  43  -0.529  -6.768   0.568
  288   2HG   ARG  43          2HG       ARG  43   0.284  -8.302   0.250
  289   1HD   ARG  43          1HD       ARG  43  -0.615  -8.473  -1.914
  290   2HD   ARG  43          2HD       ARG  43  -1.969  -7.391  -1.540
  291    HE   ARG  43           HE       ARG  43   0.230  -5.784  -1.129
  292   1HH1  ARG  43          1HH1      ARG  43  -0.787  -7.839  -3.750
  293   2HH1  ARG  43          2HH1      ARG  43  -0.006  -6.874  -4.954
  294   1HH2  ARG  43          1HH2      ARG  43   1.235  -4.548  -2.712
  295   2HH2  ARG  43          2HH2      ARG  43   1.129  -5.025  -4.374
  296    H    LYS  44           H        LYS  44   0.623  -9.261   3.756
  297    HA   LYS  44           HA       LYS  44   2.058 -11.164   1.973
  298   1HB   LYS  44          1HB       LYS  44   2.698  -9.080   3.886
  299   2HB   LYS  44          2HB       LYS  44   3.547 -10.572   4.293
  300   1HG   LYS  44          1HG       LYS  44   4.333 -10.720   1.927
  301   2HG   LYS  44          2HG       LYS  44   3.570  -9.162   1.607
  302   1HD   LYS  44          1HD       LYS  44   5.690  -8.420   2.137
  303   2HD   LYS  44          2HD       LYS  44   4.999  -8.457   3.759
  304   1HE   LYS  44          1HE       LYS  44   5.867 -10.860   3.936
  305   2HE   LYS  44          2HE       LYS  44   6.791 -10.528   2.458
  306   1HZ   LYS  44          1HZ       LYS  44   7.943  -8.793   3.484
  307   2HZ   LYS  44          2HZ       LYS  44   7.886  -9.980   4.697
  308   3HZ   LYS  44          3HZ       LYS  44   6.823  -8.657   4.750
  309    H    GLY   3           H        GLY   3   5.125  10.709   2.737
  310   1HA   GLY   3          1HA       GLY   3   4.960  10.721   5.630
  311   2HA   GLY   3          2HA       GLY   3   4.658  12.325   4.959
  312    HA   PRO   4           HA       PRO   4   0.580  10.315   4.917
  313   1HB   PRO   4          1HB       PRO   4  -0.831  12.657   5.058
  314   2HB   PRO   4          2HB       PRO   4  -0.177  11.832   6.484
  315   1HG   PRO   4          1HG       PRO   4   0.906  14.169   4.979
  316   2HG   PRO   4          2HG       PRO   4   0.843  13.888   6.724
  317   1HD   PRO   4          1HD       PRO   4   3.094  13.530   5.244
  318   2HD   PRO   4          2HD       PRO   4   2.743  12.592   6.711
  319    HA   PRO   5           HA       PRO   5   0.608  11.231   0.481
  320   1HB   PRO   5          1HB       PRO   5  -0.958   9.101  -0.241
  321   2HB   PRO   5          2HB       PRO   5   0.784   8.965   0.067
  322   1HG   PRO   5          1HG       PRO   5  -1.517   8.302   1.844
  323   2HG   PRO   5          2HG       PRO   5  -0.002   7.424   1.593
  324   1HD   PRO   5          1HD       PRO   5  -0.460   9.012   3.751
  325   2HD   PRO   5          2HD       PRO   5   1.158   8.761   3.062
  326    HA   PRO   6           HA       PRO   6  -3.323  13.170   0.036
  327   1HB   PRO   6          1HB       PRO   6  -3.965  12.773  -2.595
  328   2HB   PRO   6          2HB       PRO   6  -2.689  13.887  -2.066
  329   1HG   PRO   6          1HG       PRO   6  -2.469  11.123  -3.156
  330   2HG   PRO   6          2HG       PRO   6  -1.439  12.532  -3.442
  331   1HD   PRO   6          1HD       PRO   6  -0.794  10.489  -1.740
  332   2HD   PRO   6          2HD       PRO   6  -0.184  12.148  -1.568
  333    H    TYR   7           H        TYR   7  -5.314  12.487   0.734
  334    HA   TYR   7           HA       TYR   7  -6.861  10.442  -0.590
  335   1HB   TYR   7          1HB       TYR   7  -5.025   9.123   0.528
  336   2HB   TYR   7          2HB       TYR   7  -5.625   9.704   2.081
  337    HD1  TYR   7           HD1      TYR   7  -6.512   7.768   3.110
  338    HD2  TYR   7           HD2      TYR   7  -7.581   8.690  -0.951
  339    HE1  TYR   7           HE1      TYR   7  -8.189   5.947   3.134
  340    HE2  TYR   7           HE2      TYR   7  -9.261   6.873  -0.919
  341    HH   TYR   7           HH       TYR   7 -10.640   5.680   1.142
  342   1HN   NH2   8          1HN       NH2   8  -6.458  11.337   2.893
  343   2HN   NH2   8          2HN       NH2   8  -8.023  11.973   3.068
  344   1H1   OCT   2          1H1       OCT   2   6.800   9.283   3.880
  345   2H1   OCT   2          2H1       OCT   2   7.009  10.585   5.066
  346   1H2   OCT   2          1H2       OCT   2   7.541  12.007   2.873
  347   2H2   OCT   2          2H2       OCT   2   7.970  10.422   2.225
  348   1H3   OCT   2          1H3       OCT   2   9.910  10.425   3.373
  349   2H3   OCT   2          2H3       OCT   2   9.063  10.748   4.886
  350   1H4   OCT   2          1H4       OCT   2   9.372  13.009   2.956
  351   2H4   OCT   2          2H4       OCT   2  10.803  12.499   3.855
  352   1H5   OCT   2          1H5       OCT   2   9.302  12.620   5.950
  353   2H5   OCT   2          2H5       OCT   2   8.170  13.517   4.937
  354   1H6   OCT   2          1H6       OCT   2   9.592  15.337   4.733
  355   2H6   OCT   2          2H6       OCT   2  11.044  14.358   4.946
  356   1H7   OCT   2          1H7       OCT   2   9.119  14.588   7.231
  357   2H7   OCT   2          2H7       OCT   2  10.189  15.948   6.890
  358   1H8   OCT   2          1H8       OCT   2  11.760  14.835   8.080
  359   2H8   OCT   2          2H8       OCT   2  11.859  13.722   6.717
  360   3H8   OCT   2          3H8       OCT   2  10.806  13.352   8.083
  Start of MODEL    8
    1    H    PHE   5           H        PHE   5   1.739  -4.471  -9.833
    2    HA   PHE   5           HA       PHE   5   2.653  -7.201 -10.614
    3   1HB   PHE   5          1HB       PHE   5   4.272  -4.846 -10.167
    4   2HB   PHE   5          2HB       PHE   5   4.649  -6.070  -8.955
    5    HD1  PHE   5           HD1      PHE   5   5.265  -8.403  -9.697
    6    HD2  PHE   5           HD2      PHE   5   4.922  -5.120 -12.446
    7    HE1  PHE   5           HE1      PHE   5   6.554  -9.683 -11.385
    8    HE2  PHE   5           HE2      PHE   5   6.211  -6.400 -14.134
    9    HZ   PHE   5           HZ       PHE   5   7.027  -8.682 -13.604
   10    H    GLU   6           H        GLU   6   0.394  -6.568  -9.033
   11    HA   GLU   6           HA       GLU   6   0.955  -6.484  -6.207
   12   1HB   GLU   6          1HB       GLU   6  -1.421  -7.511  -7.795
   13   2HB   GLU   6          2HB       GLU   6  -1.442  -7.137  -6.073
   14   1HG   GLU   6          1HG       GLU   6  -1.727  -4.941  -6.494
   15   2HG   GLU   6          2HG       GLU   6  -0.335  -4.922  -7.577
   16    H    ILE   7           H        ILE   7  -0.549  -8.647  -5.202
   17    HA   ILE   7           HA       ILE   7   1.210 -10.976  -5.902
   18    HB   ILE   7           HB       ILE   7  -0.105 -10.124  -3.301
   19   1HG1  ILE   7          1HG1      ILE   7   2.452 -10.097  -2.693
   20   2HG1  ILE   7          2HG1      ILE   7   2.674  -9.952  -4.437
   21   1HG2  ILE   7          1HG2      ILE   7   0.032 -12.338  -2.818
   22   2HG2  ILE   7          2HG2      ILE   7   1.770 -12.058  -2.710
   23   3HG2  ILE   7          3HG2      ILE   7   1.066 -12.665  -4.209
   24   1HD1  ILE   7          1HD1      ILE   7   0.634  -8.168  -3.212
   25   2HD1  ILE   7          2HD1      ILE   7   1.784  -7.837  -4.509
   26   3HD1  ILE   7          3HD1      ILE   7   2.317  -7.810  -2.827
   27    HA   PRO   8           HA       PRO   8  -3.280 -12.036  -6.681
   28   1HB   PRO   8          1HB       PRO   8  -2.957 -12.922  -9.250
   29   2HB   PRO   8          2HB       PRO   8  -3.303 -11.229  -8.846
   30   1HG   PRO   8          1HG       PRO   8  -0.714 -12.523  -9.552
   31   2HG   PRO   8          2HG       PRO   8  -1.341 -10.935 -10.013
   32   1HD   PRO   8          1HD       PRO   8   0.513 -11.322  -8.043
   33   2HD   PRO   8          2HD       PRO   8  -0.617  -9.952  -8.074
   34    H    ASP   9           H        ASP   9  -0.194 -13.611  -7.122
   35    HA   ASP   9           HA       ASP   9  -0.910 -16.277  -7.666
   36   1HB   ASP   9          1HB       ASP   9   1.378 -15.188  -7.432
   37   2HB   ASP   9          2HB       ASP   9   1.187 -15.342  -5.685
   38    H    ASP  10           H        ASP  10  -1.299 -14.420  -4.707
   39    HA   ASP  10           HA       ASP  10  -2.526 -16.839  -3.419
   40   1HB   ASP  10          1HB       ASP  10  -0.556 -14.787  -2.463
   41   2HB   ASP  10          2HB       ASP  10  -1.664 -15.504  -1.293
   42    H    VAL  11           H        VAL  11  -2.309 -13.489  -2.270
   43    HA   VAL  11           HA       VAL  11  -5.196 -13.063  -2.837
   44    HB   VAL  11           HB       VAL  11  -5.590 -12.561  -0.447
   45   1HG1  VAL  11          1HG1      VAL  11  -5.829 -14.902  -1.395
   46   2HG1  VAL  11          2HG1      VAL  11  -5.560 -14.833   0.346
   47   3HG1  VAL  11          3HG1      VAL  11  -4.233 -15.254  -0.735
   48   1HG2  VAL  11          1HG2      VAL  11  -3.514 -11.808   0.375
   49   2HG2  VAL  11          2HG2      VAL  11  -2.644 -13.185  -0.299
   50   3HG2  VAL  11          3HG2      VAL  11  -3.681 -13.402   1.110
   51    HA   PRO  12           HA       PRO  12  -3.248  -9.087  -3.553
   52   1HB   PRO  12          1HB       PRO  12  -5.505  -7.753  -4.349
   53   2HB   PRO  12          2HB       PRO  12  -4.623  -8.867  -5.404
   54   1HG   PRO  12          1HG       PRO  12  -7.101  -9.311  -3.813
   55   2HG   PRO  12          2HG       PRO  12  -6.704  -9.847  -5.452
   56   1HD   PRO  12          1HD       PRO  12  -6.565 -11.472  -3.268
   57   2HD   PRO  12          2HD       PRO  12  -5.538 -11.680  -4.702
   58    H    LEU  13           H        LEU  13  -4.680  -6.685  -3.031
   59    HA   LEU  13           HA       LEU  13  -4.340  -6.359  -0.222
   60   1HB   LEU  13          1HB       LEU  13  -5.461  -4.876  -2.539
   61   2HB   LEU  13          2HB       LEU  13  -6.001  -4.330  -0.954
   62    HG   LEU  13           HG       LEU  13  -3.945  -3.150  -1.750
   63   1HD1  LEU  13          1HD1      LEU  13  -4.464  -3.484   0.683
   64   2HD1  LEU  13          2HD1      LEU  13  -2.744  -3.311   0.342
   65   3HD1  LEU  13          3HD1      LEU  13  -3.422  -4.906   0.660
   66   1HD2  LEU  13          1HD2      LEU  13  -1.802  -4.569  -1.537
   67   2HD2  LEU  13          2HD2      LEU  13  -2.769  -4.777  -2.997
   68   3HD2  LEU  13          3HD2      LEU  13  -2.861  -5.966  -1.700
   69    HA   PRO  14           HA       PRO  14  -8.283  -7.561   1.322
   70   1HB   PRO  14          1HB       PRO  14  -8.782  -5.699   3.268
   71   2HB   PRO  14          2HB       PRO  14  -7.543  -6.952   3.415
   72   1HG   PRO  14          1HG       PRO  14  -7.247  -4.082   2.983
   73   2HG   PRO  14          2HG       PRO  14  -6.077  -5.250   3.587
   74   1HD   PRO  14          1HD       PRO  14  -6.260  -4.126   0.959
   75   2HD   PRO  14          2HD       PRO  14  -5.084  -5.311   1.561
   76    H    ALA  15           H        ALA  15 -10.612  -6.762   1.810
   77    HA   ALA  15           HA       ALA  15 -11.640  -5.357  -0.488
   78   1HB   ALA  15          1HB       ALA  15 -12.720  -6.364   2.142
   79   2HB   ALA  15          2HB       ALA  15 -13.011  -6.996   0.521
   80   3HB   ALA  15          3HB       ALA  15 -13.758  -5.479   1.025
   81    H    GLY  16           H        GLY  16 -12.675  -3.270  -0.532
   82   1HA   GLY  16          1HA       GLY  16 -12.804  -0.981  -0.029
   83   2HA   GLY  16          2HA       GLY  16 -12.926  -1.492   1.654
   84    H    TRP  17           H        TRP  17 -10.244  -1.831  -0.689
   85    HA   TRP  17           HA       TRP  17  -8.602   0.001   0.995
   86   1HB   TRP  17          1HB       TRP  17  -8.433  -2.929   0.783
   87   2HB   TRP  17          2HB       TRP  17  -6.905  -2.116   0.479
   88    HD1  TRP  17           HD1      TRP  17  -9.553  -2.584   3.203
   89    HE1  TRP  17           HE1      TRP  17  -8.522  -1.885   5.463
   90    HE3  TRP  17           HE3      TRP  17  -5.125  -0.668   1.580
   91    HZ2  TRP  17           HZ2      TRP  17  -6.118  -0.672   6.445
   92    HZ3  TRP  17           HZ3      TRP  17  -3.477   0.247   3.183
   93    HH2  TRP  17           HH2      TRP  17  -3.967   0.249   5.616
   94    H    GLU  18           H        GLU  18  -8.400   1.462  -0.798
   95    HA   GLU  18           HA       GLU  18  -7.599   0.513  -3.446
   96   1HB   GLU  18          1HB       GLU  18  -8.871   2.690  -2.648
   97   2HB   GLU  18          2HB       GLU  18  -7.240   3.327  -2.431
   98   1HG   GLU  18          1HG       GLU  18  -7.101   3.729  -4.631
   99   2HG   GLU  18          2HG       GLU  18  -7.306   2.007  -4.953
  100    H    MET  19           H        MET  19  -5.498   1.848  -4.292
  101    HA   MET  19           HA       MET  19  -3.335   1.814  -2.266
  102   1HB   MET  19          1HB       MET  19  -2.008   0.318  -3.778
  103   2HB   MET  19          2HB       MET  19  -3.399  -0.470  -3.049
  104   1HG   MET  19          1HG       MET  19  -3.779   0.884  -5.691
  105   2HG   MET  19          2HG       MET  19  -2.906  -0.649  -5.674
  106   1HE   MET  19          1HE       MET  19  -3.423  -2.415  -4.364
  107   2HE   MET  19          2HE       MET  19  -4.808  -3.293  -5.006
  108   3HE   MET  19          3HE       MET  19  -4.865  -2.650  -3.368
  109    H    ALA  20           H        ALA  20  -1.362   2.834  -3.142
  110    HA   ALA  20           HA       ALA  20  -1.473   4.097  -5.776
  111   1HB   ALA  20          1HB       ALA  20  -2.824   5.758  -4.993
  112   2HB   ALA  20          2HB       ALA  20  -1.363   6.368  -4.217
  113   3HB   ALA  20          3HB       ALA  20  -2.486   5.356  -3.310
  114    H    LYS  21           H        LYS  21   0.556   5.137  -6.273
  115    HA   LYS  21           HA       LYS  21   2.763   4.297  -4.471
  116   1HB   LYS  21          1HB       LYS  21   4.133   4.760  -6.519
  117   2HB   LYS  21          2HB       LYS  21   2.841   3.596  -6.805
  118   1HG   LYS  21          1HG       LYS  21   1.514   5.178  -7.959
  119   2HG   LYS  21          2HG       LYS  21   2.430   6.542  -7.320
  120   1HD   LYS  21          1HD       LYS  21   3.076   6.182  -9.639
  121   2HD   LYS  21          2HD       LYS  21   4.426   5.734  -8.597
  122   1HE   LYS  21          1HE       LYS  21   4.358   3.845  -9.955
  123   2HE   LYS  21          2HE       LYS  21   3.187   3.338  -8.722
  124   1HZ   LYS  21          1HZ       LYS  21   2.147   3.124 -10.852
  125   2HZ   LYS  21          2HZ       LYS  21   2.610   4.694 -11.307
  126   3HZ   LYS  21          3HZ       LYS  21   1.453   4.468 -10.084
  127    H    THR  22           H        THR  22   4.137   5.782  -3.492
  128    HA   THR  22           HA       THR  22   3.513   8.684  -3.993
  129    HB   THR  22           HB       THR  22   2.710   7.880  -1.833
  130    HG1  THR  22           HG1      THR  22   3.666   9.941  -1.872
  131   1HG2  THR  22          1HG2      THR  22   4.385   6.993  -0.184
  132   2HG2  THR  22          2HG2      THR  22   5.556   6.911  -1.499
  133   3HG2  THR  22          3HG2      THR  22   4.096   5.923  -1.554
  134    H    SER  23           H        SER  23   5.794   6.560  -4.803
  135    HA   SER  23           HA       SER  23   7.890   8.484  -5.169
  136   1HB   SER  23          1HB       SER  23   7.631   7.503  -2.545
  137   2HB   SER  23          2HB       SER  23   8.990   6.611  -3.229
  138    HG   SER  23           HG       SER  23   9.938   8.418  -2.581
  139    H    SER  24           H        SER  24   8.012   7.454  -7.223
  140    HA   SER  24           HA       SER  24   8.795   5.894  -8.803
  141   1HB   SER  24          1HB       SER  24  10.917   5.723  -7.950
  142   2HB   SER  24          2HB       SER  24  10.346   5.468  -6.306
  143    HG   SER  24           HG       SER  24  10.780   3.629  -8.360
  144    H    GLY  25           H        GLY  25   8.700   3.732  -5.995
  145   1HA   GLY  25          1HA       GLY  25   6.248   2.456  -7.093
  146   2HA   GLY  25          2HA       GLY  25   7.648   1.444  -6.756
  147    H    GLN  26           H        GLN  26   7.179   4.160  -4.656
  148    HA   GLN  26           HA       GLN  26   7.023   2.586  -2.285
  149   1HB   GLN  26          1HB       GLN  26   7.559   5.105  -2.711
  150   2HB   GLN  26          2HB       GLN  26   5.814   5.336  -2.614
  151   1HG   GLN  26          1HG       GLN  26   6.583   5.677  -0.394
  152   2HG   GLN  26          2HG       GLN  26   5.947   4.031  -0.394
  153   1HE2  GLN  26          1HE2      GLN  26   7.342   2.864   0.960
  154   2HE2  GLN  26          2HE2      GLN  26   9.035   2.871   0.836
  155    H    ARG  27           H        ARG  27   5.404   0.982  -2.686
  156    HA   ARG  27           HA       ARG  27   2.707   1.626  -3.481
  157   1HB   ARG  27          1HB       ARG  27   4.366  -0.675  -2.798
  158   2HB   ARG  27          2HB       ARG  27   2.705  -0.858  -2.237
  159   1HG   ARG  27          1HG       ARG  27   2.255   0.153  -4.699
  160   2HG   ARG  27          2HG       ARG  27   3.762  -0.709  -5.005
  161   1HD   ARG  27          1HD       ARG  27   2.137  -2.413  -3.400
  162   2HD   ARG  27          2HD       ARG  27   1.123  -1.808  -4.723
  163    HE   ARG  27           HE       ARG  27   2.524  -2.959  -6.250
  164   1HH1  ARG  27          1HH1      ARG  27   4.048  -2.667  -3.134
  165   2HH1  ARG  27          2HH1      ARG  27   5.382  -3.679  -3.569
  166   1HH2  ARG  27          1HH2      ARG  27   4.265  -4.269  -6.791
  167   2HH2  ARG  27          2HH2      ARG  27   5.506  -4.581  -5.623
  168    H    TYR  28           H        TYR  28   1.882   3.178  -1.960
  169    HA   TYR  28           HA       TYR  28   1.574   2.154   0.821
  170   1HB   TYR  28          1HB       TYR  28   1.316   4.417   1.471
  171   2HB   TYR  28          2HB       TYR  28   2.501   4.519   0.173
  172    HD1  TYR  28           HD1      TYR  28   2.042   5.726  -1.817
  173    HD2  TYR  28           HD2      TYR  28  -1.114   4.865   0.960
  174    HE1  TYR  28           HE1      TYR  28   0.530   7.228  -3.072
  175    HE2  TYR  28           HE2      TYR  28  -2.626   6.368  -0.289
  176    HH   TYR  28           HH       TYR  28  -2.828   7.280  -2.591
  177    H    PHE  29           H        PHE  29  -0.324   1.262   1.348
  178    HA   PHE  29           HA       PHE  29  -2.415   1.252  -0.692
  179   1HB   PHE  29          1HB       PHE  29  -1.830  -0.230   1.853
  180   2HB   PHE  29          2HB       PHE  29  -3.327  -0.488   0.941
  181    HD1  PHE  29           HD1      PHE  29   0.358  -0.753   0.854
  182    HD2  PHE  29           HD2      PHE  29  -3.288  -1.368  -1.324
  183    HE1  PHE  29           HE1      PHE  29   1.596  -2.037  -0.862
  184    HE2  PHE  29           HE2      PHE  29  -2.054  -2.663  -3.029
  185    HZ   PHE  29           HZ       PHE  29   0.388  -2.996  -2.804
  186    H    LEU  30           H        LEU  30  -4.298   2.157  -0.624
  187    HA   LEU  30           HA       LEU  30  -4.875   4.203   1.408
  188   1HB   LEU  30          1HB       LEU  30  -5.680   3.386  -1.355
  189   2HB   LEU  30          2HB       LEU  30  -6.756   4.468  -0.456
  190    HG   LEU  30           HG       LEU  30  -3.796   4.946  -0.892
  191   1HD1  LEU  30          1HD1      LEU  30  -6.252   5.851  -2.391
  192   2HD1  LEU  30          2HD1      LEU  30  -4.743   5.204  -3.035
  193   3HD1  LEU  30          3HD1      LEU  30  -4.790   6.839  -2.376
  194   1HD2  LEU  30          1HD2      LEU  30  -6.057   6.588   0.289
  195   2HD2  LEU  30          2HD2      LEU  30  -4.510   7.291  -0.187
  196   3HD2  LEU  30          3HD2      LEU  30  -4.572   6.077   1.089
  197    H    ASN  31           H        ASN  31  -5.888   3.298   3.216
  198    HA   ASN  31           HA       ASN  31  -7.781   1.089   3.023
  199   1HB   ASN  31          1HB       ASN  31  -6.242   1.717   4.959
  200   2HB   ASN  31          2HB       ASN  31  -7.338   3.060   5.281
  201   1HD2  ASN  31          1HD2      ASN  31  -7.322   1.456   7.388
  202   2HD2  ASN  31          2HD2      ASN  31  -8.626   0.369   7.419
  203    H    HIS  32           H        HIS  32  -9.841   1.400   2.252
  204    HA   HIS  32           HA       HIS  32 -11.023   4.094   2.153
  205   1HB   HIS  32          1HB       HIS  32 -11.207   1.612   0.779
  206   2HB   HIS  32          2HB       HIS  32 -12.805   1.940   1.447
  207    HD1  HIS  32           HD1      HIS  32 -14.127   3.893   0.465
  208    HD2  HIS  32           HD2      HIS  32 -10.254   3.639  -1.055
  209    HE1  HIS  32           HE1      HIS  32 -14.010   5.520  -1.473
  210    H    ILE  33           H        ILE  33 -11.932   0.944   3.613
  211    HA   ILE  33           HA       ILE  33 -14.226   1.761   5.025
  212    HB   ILE  33           HB       ILE  33 -13.593  -0.162   6.530
  213   1HG1  ILE  33          1HG1      ILE  33 -11.228  -0.734   4.823
  214   2HG1  ILE  33          2HG1      ILE  33 -11.030   0.546   6.018
  215   1HG2  ILE  33          1HG2      ILE  33 -14.745  -0.952   4.686
  216   2HG2  ILE  33          2HG2      ILE  33 -13.198  -1.759   4.436
  217   3HG2  ILE  33          3HG2      ILE  33 -13.579  -0.287   3.543
  218   1HD1  ILE  33          1HD1      ILE  33 -12.124  -1.159   7.667
  219   2HD1  ILE  33          2HD1      ILE  33 -10.431  -1.378   7.225
  220   3HD1  ILE  33          3HD1      ILE  33 -11.676  -2.362   6.456
  221    H    ASP  34           H        ASP  34 -10.870   2.484   5.642
  222    HA   ASP  34           HA       ASP  34 -11.649   3.830   8.209
  223   1HB   ASP  34          1HB       ASP  34  -9.963   1.743   7.927
  224   2HB   ASP  34          2HB       ASP  34  -8.828   3.062   7.645
  225    H    GLN  35           H        GLN  35 -10.555   4.305   5.016
  226    HA   GLN  35           HA       GLN  35  -9.700   6.191   3.895
  227   1HB   GLN  35          1HB       GLN  35 -10.690   7.524   6.436
  228   2HB   GLN  35          2HB       GLN  35 -10.434   8.314   4.882
  229   1HG   GLN  35          1HG       GLN  35 -12.335   5.987   5.268
  230   2HG   GLN  35          2HG       GLN  35 -12.840   7.674   5.363
  231   1HE2  GLN  35          1HE2      GLN  35 -13.416   8.634   3.398
  232   2HE2  GLN  35          2HE2      GLN  35 -13.012   8.023   1.867
  233    H    THR  36           H        THR  36  -7.501   5.156   4.422
  234    HA   THR  36           HA       THR  36  -5.783   7.200   5.662
  235    HB   THR  36           HB       THR  36  -4.848   5.183   7.138
  236    HG1  THR  36           HG1      THR  36  -6.807   4.038   7.860
  237   1HG2  THR  36          1HG2      THR  36  -5.866   6.206   8.949
  238   2HG2  THR  36          2HG2      THR  36  -7.414   6.368   8.120
  239   3HG2  THR  36          3HG2      THR  36  -6.083   7.453   7.720
  240    H    THR  37           H        THR  37  -3.413   6.480   5.491
  241    HA   THR  37           HA       THR  37  -3.052   4.634   3.147
  242    HB   THR  37           HB       THR  37  -1.322   6.172   2.386
  243    HG1  THR  37           HG1      THR  37  -1.092   8.148   3.698
  244   1HG2  THR  37          1HG2      THR  37  -3.044   8.370   2.907
  245   2HG2  THR  37          2HG2      THR  37  -4.064   6.938   2.763
  246   3HG2  THR  37          3HG2      THR  37  -2.969   7.378   1.452
  247    H    THR  38           H        THR  38  -1.585   2.990   3.494
  248    HA   THR  38           HA       THR  38   0.352   3.286   5.763
  249    HB   THR  38           HB       THR  38  -1.549   1.979   6.532
  250    HG1  THR  38           HG1      THR  38   0.274   1.081   7.287
  251   1HG2  THR  38          1HG2      THR  38  -1.956  -0.243   5.232
  252   2HG2  THR  38          2HG2      THR  38  -1.169   0.592   3.890
  253   3HG2  THR  38          3HG2      THR  38  -2.645   1.252   4.598
  254    H    TRP  39           H        TRP  39   2.075   1.480   5.590
  255    HA   TRP  39           HA       TRP  39   2.909   1.270   2.729
  256   1HB   TRP  39          1HB       TRP  39   4.494   0.789   5.275
  257   2HB   TRP  39          2HB       TRP  39   5.141   1.047   3.657
  258    HD1  TRP  39           HD1      TRP  39   4.274   2.846   6.749
  259    HE1  TRP  39           HE1      TRP  39   4.347   5.395   6.375
  260    HE3  TRP  39           HE3      TRP  39   4.497   2.982   1.650
  261    HZ2  TRP  39           HZ2      TRP  39   4.481   7.248   4.201
  262    HZ3  TRP  39           HZ3      TRP  39   4.597   5.149   0.456
  263    HH2  TRP  39           HH2      TRP  39   4.589   7.282   1.723
  264    H    GLN  40           H        GLN  40   4.430  -0.830   2.508
  265    HA   GLN  40           HA       GLN  40   4.387  -3.180   2.242
  266   1HB   GLN  40          1HB       GLN  40   3.889  -2.470   5.086
  267   2HB   GLN  40          2HB       GLN  40   3.582  -4.148   4.641
  268   1HG   GLN  40          1HG       GLN  40   6.001  -3.497   3.375
  269   2HG   GLN  40          2HG       GLN  40   6.121  -2.778   4.981
  270   1HE2  GLN  40          1HE2      GLN  40   6.757  -4.196   6.617
  271   2HE2  GLN  40          2HE2      GLN  40   6.647  -5.887   6.535
  272    H    ASP  41           H        ASP  41   2.799  -5.186   2.866
  273    HA   ASP  41           HA       ASP  41   0.043  -4.311   2.067
  274   1HB   ASP  41          1HB       ASP  41   1.543  -6.904   1.561
  275   2HB   ASP  41          2HB       ASP  41  -0.051  -6.495   0.927
  276    HA   PRO  42           HA       PRO  42  -1.382  -6.147   5.814
  277   1HB   PRO  42          1HB       PRO  42  -3.940  -6.797   5.096
  278   2HB   PRO  42          2HB       PRO  42  -3.420  -5.133   5.417
  279   1HG   PRO  42          1HG       PRO  42  -3.819  -6.530   2.817
  280   2HG   PRO  42          2HG       PRO  42  -4.199  -4.863   3.269
  281   1HD   PRO  42          1HD       PRO  42  -2.001  -5.574   1.811
  282   2HD   PRO  42          2HD       PRO  42  -2.071  -4.131   2.844
  283    H    ARG  43           H        ARG  43  -1.397  -7.890   2.802
  284    HA   ARG  43           HA       ARG  43  -1.603 -10.480   4.305
  285   1HB   ARG  43          1HB       ARG  43  -2.479  -9.571   1.561
  286   2HB   ARG  43          2HB       ARG  43  -2.299 -11.285   1.939
  287   1HG   ARG  43          1HG       ARG  43  -4.115 -11.303   3.338
  288   2HG   ARG  43          2HG       ARG  43  -3.823  -9.658   3.907
  289   1HD   ARG  43          1HD       ARG  43  -5.244  -8.791   2.357
  290   2HD   ARG  43          2HD       ARG  43  -4.516  -9.751   1.057
  291    HE   ARG  43           HE       ARG  43  -6.086 -11.362   2.917
  292   1HH1  ARG  43          1HH1      ARG  43  -6.186  -9.337   0.088
  293   2HH1  ARG  43          2HH1      ARG  43  -7.637 -10.061  -0.515
  294   1HH2  ARG  43          1HH2      ARG  43  -7.968 -12.288   2.114
  295   2HH2  ARG  43          2HH2      ARG  43  -8.639 -11.719   0.622
  296    H    LYS  44           H        LYS  44  -0.512  -9.799   0.992
  297    HA   LYS  44           HA       LYS  44   1.513 -10.369  -0.089
  298   1HB   LYS  44          1HB       LYS  44   1.957  -8.765   2.162
  299   2HB   LYS  44          2HB       LYS  44   3.156 -10.051   2.300
  300   1HG   LYS  44          1HG       LYS  44   2.862  -8.988  -0.429
  301   2HG   LYS  44          2HG       LYS  44   3.442  -7.801   0.739
  302   1HD   LYS  44          1HD       LYS  44   4.638 -10.568   0.574
  303   2HD   LYS  44          2HD       LYS  44   5.220  -9.249  -0.443
  304   1HE   LYS  44          1HE       LYS  44   6.230  -8.179   1.319
  305   2HE   LYS  44          2HE       LYS  44   4.930  -8.608   2.448
  306   1HZ   LYS  44          1HZ       LYS  44   6.964 -10.484   1.346
  307   2HZ   LYS  44          2HZ       LYS  44   5.716 -10.898   2.421
  308   3HZ   LYS  44          3HZ       LYS  44   6.963  -9.859   2.922
  309    H    GLY   3           H        GLY   3   6.182  11.205   5.774
  310   1HA   GLY   3          1HA       GLY   3   4.984  10.179   8.029
  311   2HA   GLY   3          2HA       GLY   3   3.994  11.594   7.670
  312    HA   PRO   4           HA       PRO   4   2.383   8.074   5.157
  313   1HB   PRO   4          1HB       PRO   4  -0.255   8.513   5.739
  314   2HB   PRO   4          2HB       PRO   4   0.803   7.509   6.747
  315   1HG   PRO   4          1HG       PRO   4  -0.081  10.328   7.139
  316   2HG   PRO   4          2HG       PRO   4   0.130   9.038   8.331
  317   1HD   PRO   4          1HD       PRO   4   1.939  11.048   7.931
  318   2HD   PRO   4          2HD       PRO   4   2.375   9.440   8.550
  319    HA   PRO   5           HA       PRO   5   1.450  10.869   1.864
  320   1HB   PRO   5          1HB       PRO   5   0.277   9.137   0.100
  321   2HB   PRO   5          2HB       PRO   5   2.024   9.174   0.403
  322   1HG   PRO   5          1HG       PRO   5  -0.047   7.307   1.449
  323   2HG   PRO   5          2HG       PRO   5   1.613   6.977   0.936
  324   1HD   PRO   5          1HD       PRO   5   0.839   7.194   3.552
  325   2HD   PRO   5          2HD       PRO   5   2.484   7.536   2.977
  326    HA   PRO   6           HA       PRO   6  -2.772  12.037   2.348
  327   1HB   PRO   6          1HB       PRO   6  -3.320  13.226  -0.054
  328   2HB   PRO   6          2HB       PRO   6  -2.295  13.975   1.184
  329   1HG   PRO   6          1HG       PRO   6  -1.521  12.516  -1.297
  330   2HG   PRO   6          2HG       PRO   6  -0.801  13.957  -0.566
  331   1HD   PRO   6          1HD       PRO   6   0.257  11.448  -0.339
  332   2HD   PRO   6          2HD       PRO   6   0.499  12.731   0.866
  333    H    TYR   7           H        TYR   7  -4.991  11.878   1.066
  334    HA   TYR   7           HA       TYR   7  -5.107   9.138  -0.136
  335   1HB   TYR   7          1HB       TYR   7  -6.330  10.012   2.045
  336   2HB   TYR   7          2HB       TYR   7  -7.473  10.682   0.880
  337    HD1  TYR   7           HD1      TYR   7  -7.805   8.837  -1.210
  338    HD2  TYR   7           HD2      TYR   7  -7.046   7.983   2.932
  339    HE1  TYR   7           HE1      TYR   7  -8.843   6.603  -1.480
  340    HE2  TYR   7           HE2      TYR   7  -8.085   5.749   2.660
  341    HH   TYR   7           HH       TYR   7  -8.544   4.144   0.856
  342   1HN   NH2   8          1HN       NH2   8  -4.986   9.489  -2.416
  343   2HN   NH2   8          2HN       NH2   8  -6.007  10.548  -3.264
  344   1H1   OCT   2          1H1       OCT   2   7.425  11.310   8.025
  345   2H1   OCT   2          2H1       OCT   2   6.209  12.521   8.468
  346   1H2   OCT   2          1H2       OCT   2   6.944  13.587   6.136
  347   2H2   OCT   2          2H2       OCT   2   8.437  12.704   6.464
  348   1H3   OCT   2          1H3       OCT   2   7.867  13.889   8.902
  349   2H3   OCT   2          2H3       OCT   2   7.378  15.122   7.740
  350   1H4   OCT   2          1H4       OCT   2   9.949  13.780   7.146
  351   2H4   OCT   2          2H4       OCT   2   9.944  14.780   8.599
  352   1H5   OCT   2          1H5       OCT   2   8.632  15.971   6.223
  353   2H5   OCT   2          2H5       OCT   2  10.379  15.763   6.101
  354   1H6   OCT   2          1H6       OCT   2  10.778  17.409   7.608
  355   2H6   OCT   2          2H6       OCT   2   9.525  16.820   8.702
  356   1H7   OCT   2          1H7       OCT   2   8.060  17.806   6.572
  357   2H7   OCT   2          2H7       OCT   2   9.400  18.949   6.680
  358   1H8   OCT   2          1H8       OCT   2   8.861  18.847   9.268
  359   2H8   OCT   2          2H8       OCT   2   7.279  18.307   8.705
  360   3H8   OCT   2          3H8       OCT   2   7.906  19.879   8.204
  Start of MODEL    9
    1    H    PHE   5           H        PHE   5  10.321 -12.643  -3.378
    2    HA   PHE   5           HA       PHE   5  11.763 -10.674  -1.664
    3   1HB   PHE   5          1HB       PHE   5   9.896 -10.639  -3.999
    4   2HB   PHE   5          2HB       PHE   5   9.861  -9.251  -2.912
    5    HD1  PHE   5           HD1      PHE   5  11.667  -7.677  -2.833
    6    HD2  PHE   5           HD2      PHE   5  12.042 -11.298  -5.113
    7    HE1  PHE   5           HE1      PHE   5  13.739  -6.804  -3.880
    8    HE2  PHE   5           HE2      PHE   5  14.113 -10.424  -6.161
    9    HZ   PHE   5           HZ       PHE   5  14.962  -8.177  -5.543
   10    H    GLU   6           H        GLU   6  10.576  -9.481  -0.048
   11    HA   GLU   6           HA       GLU   6   8.685 -10.984   1.489
   12   1HB   GLU   6          1HB       GLU   6   8.546  -8.869   2.772
   13   2HB   GLU   6          2HB       GLU   6  10.218  -9.245   2.353
   14   1HG   GLU   6          1HG       GLU   6   9.622  -7.798   0.196
   15   2HG   GLU   6          2HG       GLU   6   8.429  -7.098   1.288
   16    H    ILE   7           H        ILE   7   8.294  -8.533  -1.028
   17    HA   ILE   7           HA       ILE   7   5.318  -8.754  -0.716
   18    HB   ILE   7           HB       ILE   7   6.316  -6.527  -0.313
   19   1HG1  ILE   7          1HG1      ILE   7   5.061  -5.302  -2.184
   20   2HG1  ILE   7          2HG1      ILE   7   4.697  -6.895  -2.844
   21   1HG2  ILE   7          1HG2      ILE   7   7.089  -5.724  -2.897
   22   2HG2  ILE   7          2HG2      ILE   7   7.861  -7.289  -2.643
   23   3HG2  ILE   7          3HG2      ILE   7   8.144  -5.971  -1.506
   24   1HD1  ILE   7          1HD1      ILE   7   4.115  -7.057  -0.087
   25   2HD1  ILE   7          2HD1      ILE   7   2.958  -7.022  -1.417
   26   3HD1  ILE   7          3HD1      ILE   7   3.444  -5.520  -0.630
   27    HA   PRO   8           HA       PRO   8   6.591 -10.646  -4.782
   28   1HB   PRO   8          1HB       PRO   8   5.181 -12.973  -4.493
   29   2HB   PRO   8          2HB       PRO   8   6.846 -12.769  -3.916
   30   1HG   PRO   8          1HG       PRO   8   4.281 -12.674  -2.402
   31   2HG   PRO   8          2HG       PRO   8   5.844 -13.356  -1.931
   32   1HD   PRO   8          1HD       PRO   8   4.909 -10.931  -1.067
   33   2HD   PRO   8          2HD       PRO   8   6.633 -11.342  -1.181
   34    H    ASP   9           H        ASP   9   3.765  -9.573  -3.251
   35    HA   ASP   9           HA       ASP   9   1.633  -8.977  -4.073
   36   1HB   ASP   9          1HB       ASP   9   3.561  -8.882  -6.362
   37   2HB   ASP   9          2HB       ASP   9   1.846  -8.679  -6.719
   38    H    ASP  10           H        ASP  10   2.564 -11.931  -4.041
   39    HA   ASP  10           HA       ASP  10   1.394 -13.342  -6.227
   40   1HB   ASP  10          1HB       ASP  10   2.733 -13.874  -3.840
   41   2HB   ASP  10          2HB       ASP  10   1.154 -14.628  -3.607
   42    H    VAL  11           H        VAL  11   0.007 -12.756  -2.966
   43    HA   VAL  11           HA       VAL  11  -2.671 -13.540  -3.873
   44    HB   VAL  11           HB       VAL  11  -3.223 -13.039  -1.513
   45   1HG1  VAL  11          1HG1      VAL  11  -0.705 -14.579  -2.130
   46   2HG1  VAL  11          2HG1      VAL  11  -2.315 -15.201  -1.762
   47   3HG1  VAL  11          3HG1      VAL  11  -1.330 -14.491  -0.482
   48   1HG2  VAL  11          1HG2      VAL  11  -0.515 -12.420  -0.653
   49   2HG2  VAL  11          2HG2      VAL  11  -2.019 -11.574  -0.291
   50   3HG2  VAL  11          3HG2      VAL  11  -1.128 -11.195  -1.764
   51    HA   PRO  12           HA       PRO  12  -4.121  -9.525  -4.942
   52   1HB   PRO  12          1HB       PRO  12  -6.706  -9.582  -4.032
   53   2HB   PRO  12          2HB       PRO  12  -6.164 -10.489  -5.455
   54   1HG   PRO  12          1HG       PRO  12  -6.607 -11.414  -2.658
   55   2HG   PRO  12          2HG       PRO  12  -7.006 -12.213  -4.185
   56   1HD   PRO  12          1HD       PRO  12  -4.831 -12.861  -2.676
   57   2HD   PRO  12          2HD       PRO  12  -4.883 -13.055  -4.441
   58    H    LEU  13           H        LEU  13  -5.984  -7.914  -3.528
   59    HA   LEU  13           HA       LEU  13  -4.412  -7.267  -1.061
   60   1HB   LEU  13          1HB       LEU  13  -5.305  -5.804  -3.351
   61   2HB   LEU  13          2HB       LEU  13  -6.142  -5.159  -1.940
   62    HG   LEU  13           HG       LEU  13  -3.599  -5.455  -0.966
   63   1HD1  LEU  13          1HD1      LEU  13  -3.176  -4.269  -3.695
   64   2HD1  LEU  13          2HD1      LEU  13  -3.047  -6.015  -3.472
   65   3HD1  LEU  13          3HD1      LEU  13  -1.986  -4.930  -2.572
   66   1HD2  LEU  13          1HD2      LEU  13  -5.403  -3.383  -1.574
   67   2HD2  LEU  13          2HD2      LEU  13  -3.872  -2.898  -2.296
   68   3HD2  LEU  13          3HD2      LEU  13  -3.955  -3.262  -0.574
   69    HA   PRO  14           HA       PRO  14  -8.161  -7.552   1.258
   70   1HB   PRO  14          1HB       PRO  14  -8.188  -5.313   2.831
   71   2HB   PRO  14          2HB       PRO  14  -7.039  -6.641   3.052
   72   1HG   PRO  14          1HG       PRO  14  -6.597  -3.948   2.007
   73   2HG   PRO  14          2HG       PRO  14  -5.433  -5.107   2.647
   74   1HD   PRO  14          1HD       PRO  14  -6.004  -4.482  -0.093
   75   2HD   PRO  14          2HD       PRO  14  -4.802  -5.620   0.543
   76    H    ALA  15           H        ALA  15 -10.397  -6.876   1.433
   77    HA   ALA  15           HA       ALA  15 -11.415  -5.382  -0.812
   78   1HB   ALA  15          1HB       ALA  15 -12.747  -7.120   0.083
   79   2HB   ALA  15          2HB       ALA  15 -13.565  -5.654   0.624
   80   3HB   ALA  15          3HB       ALA  15 -12.531  -6.549   1.737
   81    H    GLY  16           H        GLY  16 -12.607  -3.356  -0.730
   82   1HA   GLY  16          1HA       GLY  16 -12.811  -1.094  -0.133
   83   2HA   GLY  16          2HA       GLY  16 -12.934  -1.690   1.521
   84    H    TRP  17           H        TRP  17 -10.219  -1.782  -0.802
   85    HA   TRP  17           HA       TRP  17  -8.666   0.007   1.011
   86   1HB   TRP  17          1HB       TRP  17  -8.410  -2.893   0.630
   87   2HB   TRP  17          2HB       TRP  17  -6.900  -2.028   0.361
   88    HD1  TRP  17           HD1      TRP  17  -9.567  -2.598   3.066
   89    HE1  TRP  17           HE1      TRP  17  -8.517  -2.054   5.358
   90    HE3  TRP  17           HE3      TRP  17  -5.075  -0.752   1.544
   91    HZ2  TRP  17           HZ2      TRP  17  -6.075  -0.977   6.402
   92    HZ3  TRP  17           HZ3      TRP  17  -3.399   0.026   3.194
   93    HH2  TRP  17           HH2      TRP  17  -3.893  -0.082   5.621
   94    H    GLU  18           H        GLU  18  -8.489   1.588  -0.688
   95    HA   GLU  18           HA       GLU  18  -7.675   0.851  -3.388
   96   1HB   GLU  18          1HB       GLU  18  -8.936   2.962  -2.418
   97   2HB   GLU  18          2HB       GLU  18  -7.302   3.577  -2.157
   98   1HG   GLU  18          1HG       GLU  18  -7.153   4.138  -4.321
   99   2HG   GLU  18          2HG       GLU  18  -7.401   2.453  -4.779
  100    H    MET  19           H        MET  19  -5.590   2.267  -4.135
  101    HA   MET  19           HA       MET  19  -3.406   2.118  -2.152
  102   1HB   MET  19          1HB       MET  19  -2.079   0.712  -3.760
  103   2HB   MET  19          2HB       MET  19  -3.426  -0.132  -3.009
  104   1HG   MET  19          1HG       MET  19  -3.900   1.299  -5.607
  105   2HG   MET  19          2HG       MET  19  -3.028  -0.233  -5.650
  106   1HE   MET  19          1HE       MET  19  -5.172  -2.573  -3.690
  107   2HE   MET  19          2HE       MET  19  -3.574  -1.984  -4.136
  108   3HE   MET  19          3HE       MET  19  -4.577  -2.777  -5.343
  109    H    ALA  20           H        ALA  20  -1.519   3.270  -2.913
  110    HA   ALA  20           HA       ALA  20  -1.668   4.640  -5.512
  111   1HB   ALA  20          1HB       ALA  20  -1.500   6.841  -3.964
  112   2HB   ALA  20          2HB       ALA  20  -2.412   5.804  -2.867
  113   3HB   ALA  20          3HB       ALA  20  -3.050   6.169  -4.469
  114    H    LYS  21           H        LYS  21   0.401   5.336  -6.137
  115    HA   LYS  21           HA       LYS  21   2.604   4.621  -4.261
  116   1HB   LYS  21          1HB       LYS  21   2.119   4.632  -7.189
  117   2HB   LYS  21          2HB       LYS  21   3.763   5.014  -6.681
  118   1HG   LYS  21          1HG       LYS  21   3.979   2.941  -5.505
  119   2HG   LYS  21          2HG       LYS  21   2.250   2.614  -5.631
  120   1HD   LYS  21          1HD       LYS  21   2.398   1.953  -7.836
  121   2HD   LYS  21          2HD       LYS  21   3.765   3.017  -8.172
  122   1HE   LYS  21          1HE       LYS  21   4.790   1.246  -6.285
  123   2HE   LYS  21          2HE       LYS  21   3.772   0.218  -7.310
  124   1HZ   LYS  21          1HZ       LYS  21   5.717   2.222  -8.336
  125   2HZ   LYS  21          2HZ       LYS  21   4.821   1.114  -9.259
  126   3HZ   LYS  21          3HZ       LYS  21   6.043   0.562  -8.216
  127    H    THR  22           H        THR  22   4.139   6.143  -3.646
  128    HA   THR  22           HA       THR  22   3.730   8.938  -4.683
  129    HB   THR  22           HB       THR  22   2.982   8.771  -2.399
  130    HG1  THR  22           HG1      THR  22   5.648   9.714  -2.303
  131   1HG2  THR  22          1HG2      THR  22   4.013   6.657  -1.781
  132   2HG2  THR  22          2HG2      THR  22   4.500   7.891  -0.620
  133   3HG2  THR  22          3HG2      THR  22   5.620   7.375  -1.880
  134    H    SER  23           H        SER  23   5.598   6.734  -5.577
  135    HA   SER  23           HA       SER  23   7.941   8.292  -6.085
  136   1HB   SER  23          1HB       SER  23   7.771   7.266  -3.468
  137   2HB   SER  23          2HB       SER  23   8.900   6.199  -4.303
  138    HG   SER  23           HG       SER  23  10.232   7.769  -3.831
  139    H    SER  24           H        SER  24   9.804   6.005  -6.017
  140    HA   SER  24           HA       SER  24   9.328   4.782  -8.516
  141   1HB   SER  24          1HB       SER  24  10.891   4.088  -6.036
  142   2HB   SER  24          2HB       SER  24  10.867   2.962  -7.394
  143    HG   SER  24           HG       SER  24  12.547   4.727  -7.284
  144    H    GLY  25           H        GLY  25   9.293   2.746  -5.608
  145   1HA   GLY  25          1HA       GLY  25   6.702   1.593  -6.559
  146   2HA   GLY  25          2HA       GLY  25   7.964   0.591  -5.845
  147    H    GLN  26           H        GLN  26   7.306   3.813  -4.645
  148    HA   GLN  26           HA       GLN  26   6.863   2.877  -1.942
  149   1HB   GLN  26          1HB       GLN  26   7.020   5.389  -3.473
  150   2HB   GLN  26          2HB       GLN  26   5.900   5.470  -2.113
  151   1HG   GLN  26          1HG       GLN  26   7.946   6.068  -1.127
  152   2HG   GLN  26          2HG       GLN  26   7.836   4.345  -0.768
  153   1HE2  GLN  26          1HE2      GLN  26  10.354   5.824  -0.998
  154   2HE2  GLN  26          2HE2      GLN  26  11.201   5.164  -2.313
  155    H    ARG  27           H        ARG  27   5.153   1.315  -2.781
  156    HA   ARG  27           HA       ARG  27   2.551   2.332  -3.578
  157   1HB   ARG  27          1HB       ARG  27   4.025  -0.108  -3.443
  158   2HB   ARG  27          2HB       ARG  27   2.511  -0.349  -2.577
  159   1HG   ARG  27          1HG       ARG  27   2.773   0.754  -5.386
  160   2HG   ARG  27          2HG       ARG  27   2.273  -0.881  -4.959
  161   1HD   ARG  27          1HD       ARG  27   0.323   0.033  -3.730
  162   2HD   ARG  27          2HD       ARG  27   0.821   1.675  -4.181
  163    HE   ARG  27           HE       ARG  27   0.021   1.244  -6.364
  164   1HH1  ARG  27          1HH1      ARG  27   0.549  -1.732  -4.636
  165   2HH1  ARG  27          2HH1      ARG  27  -0.114  -2.712  -5.898
  166   1HH2  ARG  27          1HH2      ARG  27  -0.836  -0.049  -7.989
  167   2HH2  ARG  27          2HH2      ARG  27  -0.892  -1.768  -7.782
  168    H    TYR  28           H        TYR  28   1.850   3.716  -1.792
  169    HA   TYR  28           HA       TYR  28   1.528   2.337   0.814
  170   1HB   TYR  28          1HB       TYR  28   1.167   4.523   1.708
  171   2HB   TYR  28          2HB       TYR  28   2.409   4.754   0.480
  172    HD1  TYR  28           HD1      TYR  28   2.000   6.077  -1.467
  173    HD2  TYR  28           HD2      TYR  28  -1.217   5.076   1.190
  174    HE1  TYR  28           HE1      TYR  28   0.533   7.683  -2.640
  175    HE2  TYR  28           HE2      TYR  28  -2.683   6.679   0.022
  176    HH   TYR  28           HH       TYR  28  -1.576   8.444  -2.863
  177    H    PHE  29           H        PHE  29  -0.300   1.307   1.239
  178    HA   PHE  29           HA       PHE  29  -2.456   1.418  -0.692
  179   1HB   PHE  29          1HB       PHE  29  -1.807  -0.145   1.787
  180   2HB   PHE  29          2HB       PHE  29  -3.317  -0.387   0.892
  181    HD1  PHE  29           HD1      PHE  29  -3.328  -1.329  -1.310
  182    HD2  PHE  29           HD2      PHE  29   0.391  -0.466   0.644
  183    HE1  PHE  29           HE1      PHE  29  -2.120  -2.562  -3.075
  184    HE2  PHE  29           HE2      PHE  29   1.600  -1.705  -1.122
  185    HZ   PHE  29           HZ       PHE  29   0.344  -2.750  -2.986
  186    H    LEU  30           H        LEU  30  -4.388   2.267  -0.508
  187    HA   LEU  30           HA       LEU  30  -4.882   4.210   1.660
  188   1HB   LEU  30          1HB       LEU  30  -5.689   3.662  -1.166
  189   2HB   LEU  30          2HB       LEU  30  -6.729   4.703  -0.184
  190    HG   LEU  30           HG       LEU  30  -3.745   5.109  -0.390
  191   1HD1  LEU  30          1HD1      LEU  30  -4.573   5.266  -2.657
  192   2HD1  LEU  30          2HD1      LEU  30  -4.315   6.906  -2.062
  193   3HD1  LEU  30          3HD1      LEU  30  -5.947   6.241  -2.139
  194   1HD2  LEU  30          1HD2      LEU  30  -4.862   6.225   1.476
  195   2HD2  LEU  30          2HD2      LEU  30  -6.103   6.858   0.398
  196   3HD2  LEU  30          3HD2      LEU  30  -4.444   7.439   0.268
  197    H    ASN  31           H        ASN  31  -5.796   2.974   3.369
  198    HA   ASN  31           HA       ASN  31  -7.749   0.892   3.038
  199   1HB   ASN  31          1HB       ASN  31  -6.280   1.449   5.042
  200   2HB   ASN  31          2HB       ASN  31  -7.376   2.789   5.374
  201   1HD2  ASN  31          1HD2      ASN  31  -7.127   0.700   7.271
  202   2HD2  ASN  31          2HD2      ASN  31  -8.566  -0.200   7.298
  203    H    HIS  32           H        HIS  32  -9.772   1.231   2.178
  204    HA   HIS  32           HA       HIS  32 -10.973   3.905   2.113
  205   1HB   HIS  32          1HB       HIS  32 -11.277   1.274   0.887
  206   2HB   HIS  32          2HB       HIS  32 -12.839   1.979   1.305
  207    HD1  HIS  32           HD1      HIS  32 -13.756   3.495  -0.439
  208    HD2  HIS  32           HD2      HIS  32  -9.588   3.383  -0.563
  209    HE1  HIS  32           HE1      HIS  32 -13.056   4.970  -2.376
  210    H    ILE  33           H        ILE  33 -12.004   0.747   3.481
  211    HA   ILE  33           HA       ILE  33 -14.258   1.637   4.917
  212    HB   ILE  33           HB       ILE  33 -13.766  -0.385   6.326
  213   1HG1  ILE  33          1HG1      ILE  33 -11.324  -0.812   4.621
  214   2HG1  ILE  33          2HG1      ILE  33 -11.199   0.144   6.098
  215   1HG2  ILE  33          1HG2      ILE  33 -13.161  -1.684   3.897
  216   2HG2  ILE  33          2HG2      ILE  33 -14.063  -0.236   3.453
  217   3HG2  ILE  33          3HG2      ILE  33 -14.762  -1.399   4.580
  218   1HD1  ILE  33          1HD1      ILE  33 -10.695  -2.202   6.589
  219   2HD1  ILE  33          2HD1      ILE  33 -12.232  -2.702   5.887
  220   3HD1  ILE  33          3HD1      ILE  33 -12.210  -1.745   7.368
  221    H    ASP  34           H        ASP  34 -10.869   2.133   5.570
  222    HA   ASP  34           HA       ASP  34 -11.543   3.291   8.253
  223   1HB   ASP  34          1HB       ASP  34  -9.872   1.288   7.773
  224   2HB   ASP  34          2HB       ASP  34  -8.767   2.596   7.355
  225    H    GLN  35           H        GLN  35 -10.598   4.079   5.056
  226    HA   GLN  35           HA       GLN  35  -9.851   6.093   4.080
  227   1HB   GLN  35          1HB       GLN  35 -11.284   6.775   6.612
  228   2HB   GLN  35          2HB       GLN  35 -10.404   8.071   5.804
  229   1HG   GLN  35          1HG       GLN  35 -11.612   7.577   3.705
  230   2HG   GLN  35          2HG       GLN  35 -12.500   6.291   4.522
  231   1HE2  GLN  35          1HE2      GLN  35 -14.599   7.104   4.792
  232   2HE2  GLN  35          2HE2      GLN  35 -14.966   8.625   5.452
  233    H    THR  36           H        THR  36  -7.650   4.865   4.774
  234    HA   THR  36           HA       THR  36  -5.960   6.972   6.012
  235    HB   THR  36           HB       THR  36  -4.966   4.940   7.392
  236    HG1  THR  36           HG1      THR  36  -6.906   3.657   8.003
  237   1HG2  THR  36          1HG2      THR  36  -6.672   7.061   7.944
  238   2HG2  THR  36          2HG2      THR  36  -5.870   6.043   9.141
  239   3HG2  THR  36          3HG2      THR  36  -7.514   5.667   8.621
  240    H    THR  37           H        THR  37  -3.605   6.463   5.692
  241    HA   THR  37           HA       THR  37  -3.196   4.722   3.279
  242    HB   THR  37           HB       THR  37  -1.456   6.325   2.664
  243    HG1  THR  37           HG1      THR  37  -2.150   7.763   4.998
  244   1HG2  THR  37          1HG2      THR  37  -3.174   7.452   1.747
  245   2HG2  THR  37          2HG2      THR  37  -3.170   8.480   3.181
  246   3HG2  THR  37          3HG2      THR  37  -4.227   7.070   3.111
  247    H    THR  38           H        THR  38  -1.448   3.276   3.334
  248    HA   THR  38           HA       THR  38   0.433   3.357   5.630
  249    HB   THR  38           HB       THR  38  -1.562   2.093   6.374
  250    HG1  THR  38           HG1      THR  38   0.650   0.423   5.772
  251   1HG2  THR  38          1HG2      THR  38  -1.994  -0.115   5.192
  252   2HG2  THR  38          2HG2      THR  38  -0.975   0.484   3.884
  253   3HG2  THR  38          3HG2      THR  38  -2.466   1.328   4.295
  254    H    TRP  39           H        TRP  39   2.408   2.328   5.120
  255    HA   TRP  39           HA       TRP  39   2.916   1.831   2.286
  256   1HB   TRP  39          1HB       TRP  39   4.692   1.322   4.694
  257   2HB   TRP  39          2HB       TRP  39   5.212   1.611   3.037
  258    HD1  TRP  39           HD1      TRP  39   4.317   3.359   6.209
  259    HE1  TRP  39           HE1      TRP  39   4.443   5.913   5.879
  260    HE3  TRP  39           HE3      TRP  39   4.765   3.574   1.126
  261    HZ2  TRP  39           HZ2      TRP  39   4.701   7.796   3.746
  262    HZ3  TRP  39           HZ3      TRP  39   4.950   5.759  -0.028
  263    HH2  TRP  39           HH2      TRP  39   4.918   7.870   1.275
  264    H    GLN  40           H        GLN  40   3.600  -0.226   5.141
  265    HA   GLN  40           HA       GLN  40   3.080  -2.620   3.418
  266   1HB   GLN  40          1HB       GLN  40   5.083  -1.812   5.347
  267   2HB   GLN  40          2HB       GLN  40   4.330  -3.325   5.852
  268   1HG   GLN  40          1HG       GLN  40   5.376  -4.475   4.216
  269   2HG   GLN  40          2HG       GLN  40   4.850  -3.320   2.992
  270   1HE2  GLN  40          1HE2      GLN  40   7.129  -3.199   5.804
  271   2HE2  GLN  40          2HE2      GLN  40   8.392  -2.478   4.929
  272    H    ASP  41           H        ASP  41   1.254  -3.776   3.874
  273    HA   ASP  41           HA       ASP  41   0.329  -4.351   6.533
  274   1HB   ASP  41          1HB       ASP  41  -0.488  -1.842   5.272
  275   2HB   ASP  41          2HB       ASP  41  -1.873  -2.838   5.721
  276    HA   PRO  42           HA       PRO  42  -2.948  -5.892   3.441
  277   1HB   PRO  42          1HB       PRO  42  -2.899  -4.971   0.865
  278   2HB   PRO  42          2HB       PRO  42  -3.801  -4.161   2.162
  279   1HG   PRO  42          1HG       PRO  42  -1.154  -3.482   0.977
  280   2HG   PRO  42          2HG       PRO  42  -2.460  -2.413   1.504
  281   1HD   PRO  42          1HD       PRO  42  -0.201  -2.895   2.967
  282   2HD   PRO  42          2HD       PRO  42  -1.758  -2.428   3.680
  283    H    ARG  43           H        ARG  43  -2.833  -7.625   1.749
  284    HA   ARG  43           HA       ARG  43  -1.651  -9.393   0.712
  285   1HB   ARG  43          1HB       ARG  43   0.123  -7.023   0.034
  286   2HB   ARG  43          2HB       ARG  43   0.123  -8.572  -0.811
  287   1HG   ARG  43          1HG       ARG  43  -2.565  -7.809  -0.767
  288   2HG   ARG  43          2HG       ARG  43  -1.694  -6.312  -1.101
  289   1HD   ARG  43          1HD       ARG  43  -0.895  -8.796  -2.592
  290   2HD   ARG  43          2HD       ARG  43  -2.350  -7.917  -3.102
  291    HE   ARG  43           HE       ARG  43  -0.075  -6.158  -2.596
  292   1HH1  ARG  43          1HH1      ARG  43  -1.643  -8.217  -4.923
  293   2HH1  ARG  43          2HH1      ARG  43  -0.958  -7.392  -6.280
  294   1HH2  ARG  43          1HH2      ARG  43   0.804  -5.104  -4.374
  295   2HH2  ARG  43          2HH2      ARG  43   0.419  -5.642  -5.973
  296    H    LYS  44           H        LYS  44  -0.863  -8.409   3.540
  297    HA   LYS  44           HA       LYS  44   1.749  -9.872   3.629
  298   1HB   LYS  44          1HB       LYS  44   1.066  -7.104   4.331
  299   2HB   LYS  44          2HB       LYS  44   1.890  -7.963   5.631
  300   1HG   LYS  44          1HG       LYS  44   3.566  -8.724   3.828
  301   2HG   LYS  44          2HG       LYS  44   2.852  -7.472   2.810
  302   1HD   LYS  44          1HD       LYS  44   3.586  -5.740   4.209
  303   2HD   LYS  44          2HD       LYS  44   3.763  -6.808   5.600
  304   1HE   LYS  44          1HE       LYS  44   5.532  -7.956   3.857
  305   2HE   LYS  44          2HE       LYS  44   5.672  -6.245   3.408
  306   1HZ   LYS  44          1HZ       LYS  44   5.742  -7.284   6.197
  307   2HZ   LYS  44          2HZ       LYS  44   5.973  -5.671   5.715
  308   3HZ   LYS  44          3HZ       LYS  44   7.118  -6.856   5.302
  309    H    GLY   3           H        GLY   3   6.355  10.242   7.154
  310   1HA   GLY   3          1HA       GLY   3   4.258   9.720   9.145
  311   2HA   GLY   3          2HA       GLY   3   4.149  11.293   8.353
  312    HA   PRO   4           HA       PRO   4   2.409   7.778   5.679
  313   1HB   PRO   4          1HB       PRO   4  -0.266   8.119   6.148
  314   2HB   PRO   4          2HB       PRO   4   0.745   6.999   7.082
  315   1HG   PRO   4          1HG       PRO   4  -0.205   9.736   7.781
  316   2HG   PRO   4          2HG       PRO   4  -0.048   8.303   8.806
  317   1HD   PRO   4          1HD       PRO   4   1.751  10.360   8.787
  318   2HD   PRO   4          2HD       PRO   4   2.174   8.689   9.213
  319    HA   PRO   5           HA       PRO   5   1.544  10.914   2.698
  320   1HB   PRO   5          1HB       PRO   5   0.308   9.444   0.750
  321   2HB   PRO   5          2HB       PRO   5   2.050   9.361   1.065
  322   1HG   PRO   5          1HG       PRO   5  -0.118   7.488   1.863
  323   2HG   PRO   5          2HG       PRO   5   1.542   7.144   1.362
  324   1HD   PRO   5          1HD       PRO   5   0.673   7.130   3.969
  325   2HD   PRO   5          2HD       PRO   5   2.358   7.395   3.478
  326    HA   PRO   6           HA       PRO   6  -2.629  12.220   3.261
  327   1HB   PRO   6          1HB       PRO   6  -3.118  13.632   0.968
  328   2HB   PRO   6          2HB       PRO   6  -2.065  14.228   2.264
  329   1HG   PRO   6          1HG       PRO   6  -1.349  12.955  -0.333
  330   2HG   PRO   6          2HG       PRO   6  -0.569  14.295   0.517
  331   1HD   PRO   6          1HD       PRO   6   0.378  11.730   0.527
  332   2HD   PRO   6          2HD       PRO   6   0.676  12.894   1.834
  333    H    TYR   7           H        TYR   7  -4.707  11.423   2.835
  334    HA   TYR   7           HA       TYR   7  -4.939   9.189   0.952
  335   1HB   TYR   7          1HB       TYR   7  -5.936   9.566   3.344
  336   2HB   TYR   7          2HB       TYR   7  -7.185  10.475   2.494
  337    HD1  TYR   7           HD1      TYR   7  -6.116   7.233   3.522
  338    HD2  TYR   7           HD2      TYR   7  -8.288   9.290   0.437
  339    HE1  TYR   7           HE1      TYR   7  -7.236   5.114   2.897
  340    HE2  TYR   7           HE2      TYR   7  -9.410   7.168  -0.185
  341    HH   TYR   7           HH       TYR   7  -8.340   4.175   0.779
  342   1HN   NH2   8          1HN       NH2   8  -5.874  12.607   0.996
  343   2HN   NH2   8          2HN       NH2   8  -6.673  12.602  -0.501
  344   1H1   OCT   2          1H1       OCT   2   6.253  12.009   9.262
  345   2H1   OCT   2          2H1       OCT   2   7.742  11.121   8.891
  346   1H2   OCT   2          1H2       OCT   2   6.441   9.143  10.121
  347   2H2   OCT   2          2H2       OCT   2   5.592  10.485  10.890
  348   1H3   OCT   2          1H3       OCT   2   7.356  10.344  12.355
  349   2H3   OCT   2          2H3       OCT   2   8.130  11.367  11.145
  350   1H4   OCT   2          1H4       OCT   2   8.605   8.900  10.094
  351   2H4   OCT   2          2H4       OCT   2   8.619   8.522  11.818
  352   1H5   OCT   2          1H5       OCT   2  10.515   9.753  12.202
  353   2H5   OCT   2          2H5       OCT   2  10.096  10.967  10.994
  354   1H6   OCT   2          1H6       OCT   2  10.486   8.730   9.442
  355   2H6   OCT   2          2H6       OCT   2  11.687   8.503  10.714
  356   1H7   OCT   2          1H7       OCT   2  12.109  11.107  10.217
  357   2H7   OCT   2          2H7       OCT   2  11.498  10.632   8.632
  358   1H8   OCT   2          1H8       OCT   2  13.694  10.075   8.280
  359   2H8   OCT   2          2H8       OCT   2  13.216   8.589   9.101
  360   3H8   OCT   2          3H8       OCT   2  14.023   9.872  10.001
  Start of MODEL   10
    1    H    PHE   5           H        PHE   5  12.402 -11.804  -5.657
    2    HA   PHE   5           HA       PHE   5  13.826 -10.819  -3.340
    3   1HB   PHE   5          1HB       PHE   5  15.608 -10.837  -5.100
    4   2HB   PHE   5          2HB       PHE   5  14.627  -9.727  -6.058
    5    HD1  PHE   5           HD1      PHE   5  15.075  -7.455  -5.849
    6    HD2  PHE   5           HD2      PHE   5  15.894 -10.063  -2.536
    7    HE1  PHE   5           HE1      PHE   5  15.987  -5.538  -4.566
    8    HE2  PHE   5           HE2      PHE   5  16.806  -8.146  -1.252
    9    HZ   PHE   5           HZ       PHE   5  16.853  -5.884  -2.267
   10    H    GLU   6           H        GLU   6  11.136 -10.827  -3.782
   11    HA   GLU   6           HA       GLU   6  10.419  -8.025  -3.625
   12   1HB   GLU   6          1HB       GLU   6  10.810  -8.975  -6.179
   13   2HB   GLU   6          2HB       GLU   6   9.077  -9.216  -5.967
   14   1HG   GLU   6          1HG       GLU   6   9.392  -6.716  -4.904
   15   2HG   GLU   6          2HG       GLU   6  10.620  -6.703  -6.170
   16    H    ILE   7           H        ILE   7   7.957  -7.814  -3.495
   17    HA   ILE   7           HA       ILE   7   6.822  -9.615  -1.652
   18    HB   ILE   7           HB       ILE   7   6.057  -7.313  -2.154
   19   1HG1  ILE   7          1HG1      ILE   7   3.937  -9.439  -2.611
   20   2HG1  ILE   7          2HG1      ILE   7   4.500  -8.866  -1.042
   21   1HG2  ILE   7          1HG2      ILE   7   6.072  -8.285  -4.807
   22   2HG2  ILE   7          2HG2      ILE   7   5.599  -6.675  -4.264
   23   3HG2  ILE   7          3HG2      ILE   7   4.383  -7.941  -4.424
   24   1HD1  ILE   7          1HD1      ILE   7   2.713  -7.537  -3.014
   25   2HD1  ILE   7          2HD1      ILE   7   3.856  -6.498  -2.164
   26   3HD1  ILE   7          3HD1      ILE   7   2.697  -7.463  -1.252
   27    HA   PRO   8           HA       PRO   8   5.784 -13.053  -4.249
   28   1HB   PRO   8          1HB       PRO   8   3.979 -14.287  -2.606
   29   2HB   PRO   8          2HB       PRO   8   5.730 -14.338  -2.329
   30   1HG   PRO   8          1HG       PRO   8   3.643 -12.659  -1.025
   31   2HG   PRO   8          2HG       PRO   8   5.075 -13.424  -0.324
   32   1HD   PRO   8          1HD       PRO   8   4.915 -10.765  -0.971
   33   2HD   PRO   8          2HD       PRO   8   6.436 -11.678  -0.901
   34    H    ASP   9           H        ASP   9   4.112 -13.580  -5.723
   35    HA   ASP   9           HA       ASP   9   1.769 -11.729  -5.710
   36   1HB   ASP   9          1HB       ASP   9   3.608 -12.837  -7.658
   37   2HB   ASP   9          2HB       ASP   9   1.942 -13.187  -8.119
   38    H    ASP  10           H        ASP  10   0.944 -13.338  -3.935
   39    HA   ASP  10           HA       ASP  10  -0.366 -15.695  -5.252
   40   1HB   ASP  10          1HB       ASP  10   1.402 -15.894  -3.342
   41   2HB   ASP  10          2HB       ASP  10   0.097 -15.341  -2.294
   42    H    VAL  11           H        VAL  11  -0.852 -12.735  -3.486
   43    HA   VAL  11           HA       VAL  11  -3.802 -13.235  -3.543
   44    HB   VAL  11           HB       VAL  11  -2.116 -12.146  -1.264
   45   1HG1  VAL  11          1HG1      VAL  11  -5.108 -12.623  -1.328
   46   2HG1  VAL  11          2HG1      VAL  11  -4.376 -11.040  -1.598
   47   3HG1  VAL  11          3HG1      VAL  11  -4.172 -11.853  -0.046
   48   1HG2  VAL  11          1HG2      VAL  11  -3.286 -14.777  -1.938
   49   2HG2  VAL  11          2HG2      VAL  11  -3.583 -14.234  -0.287
   50   3HG2  VAL  11          3HG2      VAL  11  -1.929 -14.387  -0.882
   51    HA   PRO  12           HA       PRO  12  -3.723  -9.193  -5.327
   52   1HB   PRO  12          1HB       PRO  12  -6.371  -8.543  -5.035
   53   2HB   PRO  12          2HB       PRO  12  -5.772  -9.672  -6.266
   54   1HG   PRO  12          1HG       PRO  12  -7.107 -10.227  -3.666
   55   2HG   PRO  12          2HG       PRO  12  -7.236 -11.081  -5.208
   56   1HD   PRO  12          1HD       PRO  12  -5.731 -11.940  -3.071
   57   2HD   PRO  12          2HD       PRO  12  -5.438 -12.406  -4.758
   58    H    LEU  13           H        LEU  13  -6.320  -8.625  -2.989
   59    HA   LEU  13           HA       LEU  13  -4.590  -7.320  -1.028
   60   1HB   LEU  13          1HB       LEU  13  -5.629  -5.926  -3.361
   61   2HB   LEU  13          2HB       LEU  13  -6.214  -5.187  -1.871
   62    HG   LEU  13           HG       LEU  13  -3.458  -5.818  -1.491
   63   1HD1  LEU  13          1HD1      LEU  13  -4.157  -4.952  -4.219
   64   2HD1  LEU  13          2HD1      LEU  13  -2.672  -5.689  -3.619
   65   3HD1  LEU  13          3HD1      LEU  13  -2.932  -3.954  -3.437
   66   1HD2  LEU  13          1HD2      LEU  13  -3.602  -3.095  -1.798
   67   2HD2  LEU  13          2HD2      LEU  13  -4.010  -3.953  -0.316
   68   3HD2  LEU  13          3HD2      LEU  13  -5.279  -3.503  -1.453
   69    HA   PRO  14           HA       PRO  14  -8.375  -7.546   1.237
   70   1HB   PRO  14          1HB       PRO  14  -8.281  -5.348   2.868
   71   2HB   PRO  14          2HB       PRO  14  -7.206  -6.742   3.051
   72   1HG   PRO  14          1HG       PRO  14  -6.604  -4.051   2.112
   73   2HG   PRO  14          2HG       PRO  14  -5.505  -5.317   2.656
   74   1HD   PRO  14          1HD       PRO  14  -6.153  -4.518  -0.042
   75   2HD   PRO  14          2HD       PRO  14  -4.941  -5.696   0.503
   76    H    ALA  15           H        ALA  15 -10.567  -6.708   1.510
   77    HA   ALA  15           HA       ALA  15 -11.500  -5.083  -0.707
   78   1HB   ALA  15          1HB       ALA  15 -12.527  -6.754   1.451
   79   2HB   ALA  15          2HB       ALA  15 -13.224  -6.436  -0.138
   80   3HB   ALA  15          3HB       ALA  15 -13.534  -5.329   1.200
   81    H    GLY  16           H        GLY  16 -12.712  -3.038  -0.440
   82   1HA   GLY  16          1HA       GLY  16 -12.869  -0.825   0.336
   83   2HA   GLY  16          2HA       GLY  16 -12.826  -1.525   1.955
   84    H    TRP  17           H        TRP  17 -10.236  -1.981  -0.363
   85    HA   TRP  17           HA       TRP  17  -8.526  -0.053   1.169
   86   1HB   TRP  17          1HB       TRP  17  -8.386  -2.989   0.866
   87   2HB   TRP  17          2HB       TRP  17  -6.864  -2.155   0.573
   88    HD1  TRP  17           HD1      TRP  17  -9.541  -2.582   3.306
   89    HE1  TRP  17           HE1      TRP  17  -8.447  -2.070   5.584
   90    HE3  TRP  17           HE3      TRP  17  -4.964  -0.997   1.732
   91    HZ2  TRP  17           HZ2      TRP  17  -5.940  -1.117   6.601
   92    HZ3  TRP  17           HZ3      TRP  17  -3.241  -0.296   3.365
   93    HH2  TRP  17           HH2      TRP  17  -3.718  -0.354   5.794
   94    H    GLU  18           H        GLU  18  -8.286   1.430  -0.588
   95    HA   GLU  18           HA       GLU  18  -7.662   0.420  -3.289
   96   1HB   GLU  18          1HB       GLU  18  -8.974   2.573  -2.537
   97   2HB   GLU  18          2HB       GLU  18  -7.367   3.274  -2.345
   98   1HG   GLU  18          1HG       GLU  18  -7.211   3.609  -4.552
   99   2HG   GLU  18          2HG       GLU  18  -7.455   1.886  -4.848
  100    H    MET  19           H        MET  19  -5.622   1.807  -4.251
  101    HA   MET  19           HA       MET  19  -3.405   1.825  -2.284
  102   1HB   MET  19          1HB       MET  19  -2.107   0.273  -3.584
  103   2HB   MET  19          2HB       MET  19  -3.659  -0.454  -3.236
  104   1HG   MET  19          1HG       MET  19  -4.395   0.511  -5.529
  105   2HG   MET  19          2HG       MET  19  -2.667   0.678  -5.823
  106   1HE   MET  19          1HE       MET  19  -4.023  -2.344  -3.539
  107   2HE   MET  19          2HE       MET  19  -4.848  -3.233  -4.812
  108   3HE   MET  19          3HE       MET  19  -5.343  -1.585  -4.436
  109    H    ALA  20           H        ALA  20  -1.415   2.756  -3.307
  110    HA   ALA  20           HA       ALA  20  -1.607   4.144  -5.843
  111   1HB   ALA  20          1HB       ALA  20  -3.166   5.558  -4.794
  112   2HB   ALA  20          2HB       ALA  20  -1.656   6.428  -4.532
  113   3HB   ALA  20          3HB       ALA  20  -2.351   5.456  -3.234
  114    H    LYS  21           H        LYS  21   0.440   5.027  -6.389
  115    HA   LYS  21           HA       LYS  21   2.619   4.357  -4.479
  116   1HB   LYS  21          1HB       LYS  21   2.222   4.546  -7.411
  117   2HB   LYS  21          2HB       LYS  21   3.813   5.038  -6.831
  118   1HG   LYS  21          1HG       LYS  21   4.120   2.907  -5.707
  119   2HG   LYS  21          2HG       LYS  21   2.470   2.421  -6.094
  120   1HD   LYS  21          1HD       LYS  21   4.054   3.244  -8.437
  121   2HD   LYS  21          2HD       LYS  21   4.679   1.813  -7.618
  122   1HE   LYS  21          1HE       LYS  21   2.352   0.834  -7.705
  123   2HE   LYS  21          2HE       LYS  21   1.873   2.212  -8.712
  124   1HZ   LYS  21          1HZ       LYS  21   4.197   0.449  -9.292
  125   2HZ   LYS  21          2HZ       LYS  21   3.560   1.664 -10.296
  126   3HZ   LYS  21          3HZ       LYS  21   2.669   0.247 -10.001
  127    H    THR  22           H        THR  22   3.755   5.959  -3.464
  128    HA   THR  22           HA       THR  22   3.296   8.779  -4.391
  129    HB   THR  22           HB       THR  22   2.386   8.186  -2.181
  130    HG1  THR  22           HG1      THR  22   4.750   9.675  -1.773
  131   1HG2  THR  22          1HG2      THR  22   3.674   6.374  -1.433
  132   2HG2  THR  22          2HG2      THR  22   4.213   7.693  -0.395
  133   3HG2  THR  22          3HG2      THR  22   5.197   7.196  -1.770
  134    H    SER  23           H        SER  23   5.526   6.612  -5.000
  135    HA   SER  23           HA       SER  23   7.698   8.494  -5.252
  136   1HB   SER  23          1HB       SER  23   7.300   7.385  -2.700
  137   2HB   SER  23          2HB       SER  23   8.664   6.496  -3.378
  138    HG   SER  23           HG       SER  23   9.353   8.395  -2.342
  139    H    SER  24           H        SER  24   9.821   6.543  -4.972
  140    HA   SER  24           HA       SER  24   9.687   5.241  -7.529
  141   1HB   SER  24          1HB       SER  24  11.474   4.841  -5.107
  142   2HB   SER  24          2HB       SER  24  11.823   4.231  -6.726
  143    HG   SER  24           HG       SER  24  11.995   6.786  -5.712
  144    H    GLY  25           H        GLY  25   7.520   4.131  -7.047
  145   1HA   GLY  25          1HA       GLY  25   6.544   1.967  -6.958
  146   2HA   GLY  25          2HA       GLY  25   8.047   1.344  -6.283
  147    H    GLN  26           H        GLN  26   6.875   4.176  -4.724
  148    HA   GLN  26           HA       GLN  26   6.471   2.733  -2.237
  149   1HB   GLN  26          1HB       GLN  26   7.220   5.212  -2.850
  150   2HB   GLN  26          2HB       GLN  26   5.490   5.523  -2.726
  151   1HG   GLN  26          1HG       GLN  26   6.165   5.869  -0.522
  152   2HG   GLN  26          2HG       GLN  26   5.717   4.163  -0.475
  153   1HE2  GLN  26          1HE2      GLN  26   8.040   6.083   0.721
  154   2HE2  GLN  26          2HE2      GLN  26   9.390   5.058   0.624
  155    H    ARG  27           H        ARG  27   4.771   1.366  -3.679
  156    HA   ARG  27           HA       ARG  27   2.144   2.410  -4.153
  157   1HB   ARG  27          1HB       ARG  27   1.542  -0.079  -3.990
  158   2HB   ARG  27          2HB       ARG  27   2.787   0.322  -5.162
  159   1HG   ARG  27          1HG       ARG  27   4.350  -0.876  -4.048
  160   2HG   ARG  27          2HG       ARG  27   3.883  -0.170  -2.502
  161   1HD   ARG  27          1HD       ARG  27   2.834  -2.079  -1.952
  162   2HD   ARG  27          2HD       ARG  27   1.777  -1.913  -3.365
  163    HE   ARG  27           HE       ARG  27   4.342  -2.801  -4.252
  164   1HH1  ARG  27          1HH1      ARG  27   1.603  -3.918  -2.416
  165   2HH1  ARG  27          2HH1      ARG  27   1.847  -5.574  -2.851
  166   1HH2  ARG  27          1HH2      ARG  27   4.640  -4.956  -4.801
  167   2HH2  ARG  27          2HH2      ARG  27   3.552  -6.158  -4.192
  168    H    TYR  28           H        TYR  28   1.983   3.676  -2.023
  169    HA   TYR  28           HA       TYR  28   1.611   2.155   0.424
  170   1HB   TYR  28          1HB       TYR  28   1.145   4.291   1.383
  171   2HB   TYR  28          2HB       TYR  28   2.322   4.616   0.114
  172    HD1  TYR  28           HD1      TYR  28  -1.236   4.815   1.052
  173    HD2  TYR  28           HD2      TYR  28   1.725   5.853  -1.872
  174    HE1  TYR  28           HE1      TYR  28  -2.833   6.367  -0.007
  175    HE2  TYR  28           HE2      TYR  28   0.125   7.405  -2.943
  176    HH   TYR  28           HH       TYR  28  -2.672   8.467  -1.469
  177    H    PHE  29           H        PHE  29  -0.301   1.373   1.263
  178    HA   PHE  29           HA       PHE  29  -2.484   1.209  -0.695
  179   1HB   PHE  29          1HB       PHE  29  -1.646  -0.251   1.791
  180   2HB   PHE  29          2HB       PHE  29  -3.227  -0.545   1.044
  181    HD1  PHE  29           HD1      PHE  29   0.233  -1.415   0.893
  182    HD2  PHE  29           HD2      PHE  29  -3.214  -0.718  -1.535
  183    HE1  PHE  29           HE1      PHE  29   1.300  -2.643  -0.974
  184    HE2  PHE  29           HE2      PHE  29  -2.156  -1.942  -3.411
  185    HZ   PHE  29           HZ       PHE  29   0.104  -2.904  -3.132
  186    H    LEU  30           H        LEU  30  -4.218   2.287  -0.629
  187    HA   LEU  30           HA       LEU  30  -4.807   4.285   1.401
  188   1HB   LEU  30          1HB       LEU  30  -5.876   3.299  -1.224
  189   2HB   LEU  30          2HB       LEU  30  -6.769   4.525  -0.313
  190    HG   LEU  30           HG       LEU  30  -3.831   4.888  -0.750
  191   1HD1  LEU  30          1HD1      LEU  30  -5.938   5.521  -2.836
  192   2HD1  LEU  30          2HD1      LEU  30  -4.740   4.234  -2.966
  193   3HD1  LEU  30          3HD1      LEU  30  -4.224   5.921  -2.934
  194   1HD2  LEU  30          1HD2      LEU  30  -6.148   6.846  -0.866
  195   2HD2  LEU  30          2HD2      LEU  30  -4.438   7.230  -0.669
  196   3HD2  LEU  30          3HD2      LEU  30  -5.319   6.426   0.632
  197    H    ASN  31           H        ASN  31  -5.782   3.583   3.286
  198    HA   ASN  31           HA       ASN  31  -7.491   1.238   3.445
  199   1HB   ASN  31          1HB       ASN  31  -7.061   3.604   5.304
  200   2HB   ASN  31          2HB       ASN  31  -7.807   2.074   5.762
  201   1HD2  ASN  31          1HD2      ASN  31  -6.114   1.513   7.282
  202   2HD2  ASN  31          2HD2      ASN  31  -4.546   1.111   6.772
  203    H    HIS  32           H        HIS  32  -9.390   1.415   2.210
  204    HA   HIS  32           HA       HIS  32 -10.865   3.932   2.006
  205   1HB   HIS  32          1HB       HIS  32 -10.651   1.465   0.658
  206   2HB   HIS  32          2HB       HIS  32 -12.311   1.531   1.246
  207    HD1  HIS  32           HD1      HIS  32 -13.871   3.302   0.235
  208    HD2  HIS  32           HD2      HIS  32  -9.961   3.567  -1.186
  209    HE1  HIS  32           HE1      HIS  32 -13.927   4.908  -1.723
  210    H    ILE  33           H        ILE  33 -11.268   0.851   3.752
  211    HA   ILE  33           HA       ILE  33 -13.867   1.387   4.837
  212    HB   ILE  33           HB       ILE  33 -13.166  -0.412   6.442
  213   1HG1  ILE  33          1HG1      ILE  33 -10.584  -0.768   5.035
  214   2HG1  ILE  33          2HG1      ILE  33 -10.657   0.617   6.124
  215   1HG2  ILE  33          1HG2      ILE  33 -12.068  -1.529   3.988
  216   2HG2  ILE  33          2HG2      ILE  33 -13.496  -0.545   3.666
  217   3HG2  ILE  33          3HG2      ILE  33 -13.591  -1.896   4.795
  218   1HD1  ILE  33          1HD1      ILE  33 -11.720  -1.084   7.804
  219   2HD1  ILE  33          2HD1      ILE  33  -9.974  -1.111   7.557
  220   3HD1  ILE  33          3HD1      ILE  33 -10.996  -2.307   6.758
  221    H    ASP  34           H        ASP  34 -10.704   2.583   5.675
  222    HA   ASP  34           HA       ASP  34 -11.902   3.948   8.060
  223   1HB   ASP  34          1HB       ASP  34 -10.070   1.896   8.103
  224   2HB   ASP  34          2HB       ASP  34  -9.025   3.316   8.154
  225    H    GLN  35           H        GLN  35 -10.794   4.520   5.049
  226    HA   GLN  35           HA       GLN  35  -9.763   6.362   3.985
  227   1HB   GLN  35          1HB       GLN  35 -10.747   7.599   6.578
  228   2HB   GLN  35          2HB       GLN  35 -10.331   8.497   5.119
  229   1HG   GLN  35          1HG       GLN  35 -12.044   6.934   3.938
  230   2HG   GLN  35          2HG       GLN  35 -12.625   6.596   5.570
  231   1HE2  GLN  35          1HE2      GLN  35 -14.373   7.912   3.826
  232   2HE2  GLN  35          2HE2      GLN  35 -14.538   9.538   4.288
  233    H    THR  36           H        THR  36  -7.606   5.245   4.422
  234    HA   THR  36           HA       THR  36  -5.828   7.105   5.878
  235    HB   THR  36           HB       THR  36  -5.646   4.200   6.605
  236    HG1  THR  36           HG1      THR  36  -7.339   6.037   7.933
  237   1HG2  THR  36          1HG2      THR  36  -4.411   6.637   7.373
  238   2HG2  THR  36          2HG2      THR  36  -4.135   5.030   8.042
  239   3HG2  THR  36          3HG2      THR  36  -5.358   6.081   8.752
  240    H    THR  37           H        THR  37  -3.482   5.818   5.827
  241    HA   THR  37           HA       THR  37  -3.150   4.411   3.231
  242    HB   THR  37           HB       THR  37  -1.525   6.097   2.469
  243    HG1  THR  37           HG1      THR  37  -0.870   6.752   4.568
  244   1HG2  THR  37          1HG2      THR  37  -4.007   7.562   3.374
  245   2HG2  THR  37          2HG2      THR  37  -4.047   6.353   2.093
  246   3HG2  THR  37          3HG2      THR  37  -3.074   7.810   1.899
  247    H    THR  38           H        THR  38  -1.572   2.859   3.457
  248    HA   THR  38           HA       THR  38   0.463   3.217   5.629
  249    HB   THR  38           HB       THR  38  -1.416   1.732   6.305
  250    HG1  THR  38           HG1      THR  38   0.835   0.124   5.764
  251   1HG2  THR  38          1HG2      THR  38  -1.900   0.999   3.929
  252   2HG2  THR  38          2HG2      THR  38  -1.892  -0.300   5.121
  253   3HG2  THR  38          3HG2      THR  38  -0.506  -0.073   4.055
  254    H    TRP  39           H        TRP  39   2.230   1.388   5.272
  255    HA   TRP  39           HA       TRP  39   2.955   1.460   2.370
  256   1HB   TRP  39          1HB       TRP  39   4.673   0.923   4.817
  257   2HB   TRP  39          2HB       TRP  39   5.243   1.274   3.186
  258    HD1  TRP  39           HD1      TRP  39   4.467   2.910   6.380
  259    HE1  TRP  39           HE1      TRP  39   4.397   5.472   6.108
  260    HE3  TRP  39           HE3      TRP  39   4.376   3.257   1.284
  261    HZ2  TRP  39           HZ2      TRP  39   4.316   7.412   4.010
  262    HZ3  TRP  39           HZ3      TRP  39   4.302   5.474   0.178
  263    HH2  TRP  39           HH2      TRP  39   4.271   7.550   1.534
  264    H    GLN  40           H        GLN  40   3.397  -0.714   5.192
  265    HA   GLN  40           HA       GLN  40   4.082  -3.066   3.821
  266   1HB   GLN  40          1HB       GLN  40   2.504  -2.513   6.343
  267   2HB   GLN  40          2HB       GLN  40   2.977  -4.145   5.872
  268   1HG   GLN  40          1HG       GLN  40   5.011  -3.790   6.768
  269   2HG   GLN  40          2HG       GLN  40   5.279  -2.494   5.600
  270   1HE2  GLN  40          1HE2      GLN  40   4.921  -3.148   8.934
  271   2HE2  GLN  40          2HE2      GLN  40   4.674  -1.554   9.464
  272    H    ASP  41           H        ASP  41   2.962  -4.076   2.203
  273    HA   ASP  41           HA       ASP  41   0.203  -3.579   1.583
  274   1HB   ASP  41          1HB       ASP  41   0.590  -5.487   0.015
  275   2HB   ASP  41          2HB       ASP  41   1.889  -4.295  -0.042
  276    HA   PRO  42           HA       PRO  42  -1.222  -6.385   4.837
  277   1HB   PRO  42          1HB       PRO  42  -3.875  -5.744   4.606
  278   2HB   PRO  42          2HB       PRO  42  -2.715  -4.753   5.511
  279   1HG   PRO  42          1HG       PRO  42  -3.805  -4.371   2.762
  280   2HG   PRO  42          2HG       PRO  42  -3.483  -3.172   4.022
  281   1HD   PRO  42          1HD       PRO  42  -1.829  -3.601   1.898
  282   2HD   PRO  42          2HD       PRO  42  -1.260  -3.011   3.473
  283    H    ARG  43           H        ARG  43  -0.520  -7.810   2.744
  284    HA   ARG  43           HA       ARG  43  -2.636  -9.731   2.331
  285   1HB   ARG  43          1HB       ARG  43  -2.909  -9.267  -0.120
  286   2HB   ARG  43          2HB       ARG  43  -3.489  -7.947   0.896
  287   1HG   ARG  43          1HG       ARG  43  -2.133  -6.586  -0.290
  288   2HG   ARG  43          2HG       ARG  43  -0.778  -7.381   0.511
  289   1HD   ARG  43          1HD       ARG  43  -0.238  -8.605  -1.356
  290   2HD   ARG  43          2HD       ARG  43  -1.936  -8.835  -1.814
  291    HE   ARG  43           HE       ARG  43  -1.494  -6.101  -2.117
  292   1HH1  ARG  43          1HH1      ARG  43  -0.042  -9.016  -3.346
  293   2HH1  ARG  43          2HH1      ARG  43   0.448  -8.275  -4.831
  294   1HH2  ARG  43          1HH2      ARG  43  -0.847  -5.163  -4.051
  295   2HH2  ARG  43          2HH2      ARG  43  -0.003  -6.111  -5.228
  296    H    LYS  44           H        LYS  44   0.251  -9.584   3.028
  297    HA   LYS  44           HA       LYS  44   1.647 -10.812   0.731
  298   1HB   LYS  44          1HB       LYS  44   2.337  -9.221   2.890
  299   2HB   LYS  44          2HB       LYS  44   2.937 -10.809   3.369
  300   1HG   LYS  44          1HG       LYS  44   4.491 -10.879   1.680
  301   2HG   LYS  44          2HG       LYS  44   3.467  -9.979   0.561
  302   1HD   LYS  44          1HD       LYS  44   4.655  -8.127   1.034
  303   2HD   LYS  44          2HD       LYS  44   4.063  -8.215   2.693
  304   1HE   LYS  44          1HE       LYS  44   6.262  -8.496   3.255
  305   2HE   LYS  44          2HE       LYS  44   6.059 -10.149   2.644
  306   1HZ   LYS  44          1HZ       LYS  44   7.877  -8.782   1.561
  307   2HZ   LYS  44          2HZ       LYS  44   6.641  -7.845   0.867
  308   3HZ   LYS  44          3HZ       LYS  44   6.762  -9.501   0.504
  309    H    GLY   3           H        GLY   3   7.492  10.112   5.563
  310   1HA   GLY   3          1HA       GLY   3   5.804   9.754   7.194
  311   2HA   GLY   3          2HA       GLY   3   5.133  11.340   6.806
  312    HA   PRO   4           HA       PRO   4   2.581   7.956   4.825
  313   1HB   PRO   4          1HB       PRO   4   0.228   8.519   6.107
  314   2HB   PRO   4          2HB       PRO   4   1.426   7.376   6.742
  315   1HG   PRO   4          1HG       PRO   4   0.910  10.211   7.507
  316   2HG   PRO   4          2HG       PRO   4   1.311   8.823   8.530
  317   1HD   PRO   4          1HD       PRO   4   3.120  10.730   7.787
  318   2HD   PRO   4          2HD       PRO   4   3.562   9.052   8.168
  319    HA   PRO   5           HA       PRO   5   1.093  11.087   2.079
  320   1HB   PRO   5          1HB       PRO   5  -0.492   9.545   0.469
  321   2HB   PRO   5          2HB       PRO   5   1.279   9.529   0.384
  322   1HG   PRO   5          1HG       PRO   5  -0.580   7.596   1.670
  323   2HG   PRO   5          2HG       PRO   5   0.932   7.300   0.802
  324   1HD   PRO   5          1HD       PRO   5   0.694   7.290   3.536
  325   2HD   PRO   5          2HD       PRO   5   2.205   7.625   2.669
  326    HA   PRO   6           HA       PRO   6  -2.841  12.191   3.766
  327   1HB   PRO   6          1HB       PRO   6  -3.658  14.029   1.912
  328   2HB   PRO   6          2HB       PRO   6  -2.393  14.361   3.110
  329   1HG   PRO   6          1HG       PRO   6  -2.144  13.645   0.229
  330   2HG   PRO   6          2HG       PRO   6  -1.195  14.784   1.193
  331   1HD   PRO   6          1HD       PRO   6  -0.348  12.268   0.524
  332   2HD   PRO   6          2HD       PRO   6   0.209  13.149   1.962
  333    H    TYR   7           H        TYR   7  -5.069  11.696   3.459
  334    HA   TYR   7           HA       TYR   7  -6.082  10.850   0.837
  335   1HB   TYR   7          1HB       TYR   7  -4.783   8.896   1.517
  336   2HB   TYR   7          2HB       TYR   7  -5.565   8.891   3.097
  337    HD1  TYR   7           HD1      TYR   7  -7.072   9.456  -0.281
  338    HD2  TYR   7           HD2      TYR   7  -6.806   6.882   3.148
  339    HE1  TYR   7           HE1      TYR   7  -8.905   8.058  -1.188
  340    HE2  TYR   7           HE2      TYR   7  -8.640   5.485   2.240
  341    HH   TYR   7           HH       TYR   7 -10.619   5.884   0.613
  342   1HN   NH2   8          1HN       NH2   8  -6.817  10.206   4.328
  343   2HN   NH2   8          2HN       NH2   8  -8.395  10.828   4.264
  344   1H1   OCT   2          1H1       OCT   2   8.002  12.431   5.579
  345   2H1   OCT   2          2H1       OCT   2   6.337  12.747   6.101
  346   1H2   OCT   2          1H2       OCT   2   5.781  11.831   3.658
  347   2H2   OCT   2          2H2       OCT   2   7.426  12.376   3.327
  348   1H3   OCT   2          1H3       OCT   2   6.202  14.308   2.865
  349   2H3   OCT   2          2H3       OCT   2   6.628  14.568   4.557
  350   1H4   OCT   2          1H4       OCT   2   4.332  13.147   4.851
  351   2H4   OCT   2          2H4       OCT   2   3.990  13.975   3.331
  352   1H5   OCT   2          1H5       OCT   2   5.178  15.898   5.039
  353   2H5   OCT   2          2H5       OCT   2   3.983  15.041   6.014
  354   1H6   OCT   2          1H6       OCT   2   3.069  15.704   3.289
  355   2H6   OCT   2          2H6       OCT   2   3.407  17.112   4.300
  356   1H7   OCT   2          1H7       OCT   2   1.152  16.614   4.787
  357   2H7   OCT   2          2H7       OCT   2   2.032  15.856   6.115
  358   1H8   OCT   2          1H8       OCT   2   1.205  14.407   3.583
  359   2H8   OCT   2          2H8       OCT   2   0.278  14.374   5.083
  360   3H8   OCT   2          3H8       OCT   2   1.903  13.689   5.035
  Start of MODEL   11
    1    H    PHE   5           H        PHE   5   8.360 -14.085  -3.895
    2    HA   PHE   5           HA       PHE   5   5.942 -13.549  -5.505
    3   1HB   PHE   5          1HB       PHE   5   6.674 -15.763  -4.418
    4   2HB   PHE   5          2HB       PHE   5   6.195 -15.038  -2.882
    5    HD1  PHE   5           HD1      PHE   5   4.972 -16.006  -6.260
    6    HD2  PHE   5           HD2      PHE   5   3.897 -14.823  -2.272
    7    HE1  PHE   5           HE1      PHE   5   2.603 -16.571  -6.729
    8    HE2  PHE   5           HE2      PHE   5   1.530 -15.390  -2.741
    9    HZ   PHE   5           HZ       PHE   5   0.883 -16.265  -4.970
   10    H    GLU   6           H        GLU   6   5.346 -11.379  -5.135
   11    HA   GLU   6           HA       GLU   6   5.144 -10.423  -2.321
   12   1HB   GLU   6          1HB       GLU   6   4.919  -9.122  -5.052
   13   2HB   GLU   6          2HB       GLU   6   4.694  -8.245  -3.539
   14   1HG   GLU   6          1HG       GLU   6   7.000  -9.171  -2.861
   15   2HG   GLU   6          2HG       GLU   6   7.195  -9.597  -4.561
   16    H    ILE   7           H        ILE   7   3.072  -9.993  -5.214
   17    HA   ILE   7           HA       ILE   7   0.699 -10.448  -3.442
   18    HB   ILE   7           HB       ILE   7   1.203  -8.716  -5.879
   19   1HG1  ILE   7          1HG1      ILE   7   0.303  -6.983  -4.195
   20   2HG1  ILE   7          2HG1      ILE   7   0.534  -8.231  -2.971
   21   1HG2  ILE   7          1HG2      ILE   7  -0.987  -8.805  -6.399
   22   2HG2  ILE   7          2HG2      ILE   7  -1.387  -8.243  -4.776
   23   3HG2  ILE   7          3HG2      ILE   7  -1.258  -9.971  -5.104
   24   1HD1  ILE   7          1HD1      ILE   7   2.471  -6.469  -3.688
   25   2HD1  ILE   7          2HD1      ILE   7   2.826  -7.792  -4.799
   26   3HD1  ILE   7          3HD1      ILE   7   2.812  -8.080  -3.059
   27    HA   PRO   8           HA       PRO   8   0.000 -13.950  -6.092
   28   1HB   PRO   8          1HB       PRO   8  -2.505 -14.602  -5.213
   29   2HB   PRO   8          2HB       PRO   8  -1.035 -14.954  -4.288
   30   1HG   PRO   8          1HG       PRO   8  -3.038 -12.792  -3.922
   31   2HG   PRO   8          2HG       PRO   8  -2.115 -13.691  -2.712
   32   1HD   PRO   8          1HD       PRO   8  -1.528 -11.132  -3.568
   33   2HD   PRO   8          2HD       PRO   8  -0.365 -12.235  -2.805
   34    H    ASP   9           H        ASP   9  -2.478 -14.659  -7.161
   35    HA   ASP   9           HA       ASP   9  -3.035 -12.338  -8.966
   36   1HB   ASP   9          1HB       ASP   9  -3.502 -15.324  -9.274
   37   2HB   ASP   9          2HB       ASP   9  -3.756 -14.111 -10.529
   38    H    ASP  10           H        ASP  10  -4.539 -14.708  -6.819
   39    HA   ASP  10           HA       ASP  10  -7.281 -14.075  -7.537
   40   1HB   ASP  10          1HB       ASP  10  -5.849 -15.498  -5.295
   41   2HB   ASP  10          2HB       ASP  10  -7.596 -15.267  -5.240
   42    H    VAL  11           H        VAL  11  -5.992 -13.703  -4.251
   43    HA   VAL  11           HA       VAL  11  -7.371 -11.054  -4.092
   44    HB   VAL  11           HB       VAL  11  -6.475 -13.076  -2.011
   45   1HG1  VAL  11          1HG1      VAL  11  -8.080 -10.523  -1.665
   46   2HG1  VAL  11          2HG1      VAL  11  -6.393 -10.725  -1.189
   47   3HG1  VAL  11          3HG1      VAL  11  -7.653 -11.667  -0.392
   48   1HG2  VAL  11          1HG2      VAL  11  -8.594 -13.916  -2.072
   49   2HG2  VAL  11          2HG2      VAL  11  -8.628 -13.212  -3.688
   50   3HG2  VAL  11          3HG2      VAL  11  -9.319 -12.329  -2.327
   51    HA   PRO  12           HA       PRO  12  -2.944  -9.882  -4.053
   52   1HB   PRO  12          1HB       PRO  12  -3.339  -7.396  -5.127
   53   2HB   PRO  12          2HB       PRO  12  -3.172  -8.860  -6.113
   54   1HG   PRO  12          1HG       PRO  12  -5.628  -7.374  -5.313
   55   2HG   PRO  12          2HG       PRO  12  -5.233  -8.152  -6.852
   56   1HD   PRO  12          1HD       PRO  12  -6.883  -9.256  -4.972
   57   2HD   PRO  12          2HD       PRO  12  -5.936 -10.210  -6.133
   58    H    LEU  13           H        LEU  13  -5.776  -7.934  -3.112
   59    HA   LEU  13           HA       LEU  13  -4.290  -7.096  -0.657
   60   1HB   LEU  13          1HB       LEU  13  -4.953  -5.509  -2.945
   61   2HB   LEU  13          2HB       LEU  13  -5.936  -4.951  -1.590
   62    HG   LEU  13           HG       LEU  13  -3.475  -5.338  -0.409
   63   1HD1  LEU  13          1HD1      LEU  13  -2.343  -3.714  -2.402
   64   2HD1  LEU  13          2HD1      LEU  13  -3.089  -5.055  -3.270
   65   3HD1  LEU  13          3HD1      LEU  13  -1.894  -5.374  -2.013
   66   1HD2  LEU  13          1HD2      LEU  13  -5.055  -3.034  -1.419
   67   2HD2  LEU  13          2HD2      LEU  13  -3.372  -2.702  -1.016
   68   3HD2  LEU  13          3HD2      LEU  13  -4.453  -3.362   0.207
   69    HA   PRO  14           HA       PRO  14  -8.274  -7.552   1.198
   70   1HB   PRO  14          1HB       PRO  14  -8.481  -5.429   2.915
   71   2HB   PRO  14          2HB       PRO  14  -7.346  -6.766   3.155
   72   1HG   PRO  14          1HG       PRO  14  -6.820  -4.005   2.387
   73   2HG   PRO  14          2HG       PRO  14  -5.709  -5.229   3.002
   74   1HD   PRO  14          1HD       PRO  14  -6.111  -4.356   0.278
   75   2HD   PRO  14          2HD       PRO  14  -4.897  -5.488   0.908
   76    H    ALA  15           H        ALA  15 -10.526  -6.764   1.391
   77    HA   ALA  15           HA       ALA  15 -11.386  -5.206  -0.895
   78   1HB   ALA  15          1HB       ALA  15 -12.636  -6.488   1.524
   79   2HB   ALA  15          2HB       ALA  15 -12.840  -6.906  -0.177
   80   3HB   ALA  15          3HB       ALA  15 -13.612  -5.459   0.475
   81    H    GLY  16           H        GLY  16 -12.749  -3.209  -0.679
   82   1HA   GLY  16          1HA       GLY  16 -12.938  -0.963   0.003
   83   2HA   GLY  16          2HA       GLY  16 -12.967  -1.621   1.639
   84    H    TRP  17           H        TRP  17 -10.313  -1.853  -0.701
   85    HA   TRP  17           HA       TRP  17  -8.695   0.026   0.966
   86   1HB   TRP  17          1HB       TRP  17  -8.530  -2.887   0.735
   87   2HB   TRP  17          2HB       TRP  17  -7.003  -2.097   0.352
   88    HD1  TRP  17           HD1      TRP  17  -9.534  -2.515   3.189
   89    HE1  TRP  17           HE1      TRP  17  -8.390  -1.857   5.405
   90    HE3  TRP  17           HE3      TRP  17  -5.115  -0.703   1.394
   91    HZ2  TRP  17           HZ2      TRP  17  -5.923  -0.714   6.296
   92    HZ3  TRP  17           HZ3      TRP  17  -3.387   0.160   2.940
   93    HH2  TRP  17           HH2      TRP  17  -3.783   0.158   5.390
   94    H    GLU  18           H        GLU  18  -8.457   1.533  -0.773
   95    HA   GLU  18           HA       GLU  18  -7.730   0.626  -3.466
   96   1HB   GLU  18          1HB       GLU  18  -8.976   2.805  -2.569
   97   2HB   GLU  18          2HB       GLU  18  -7.330   3.430  -2.454
   98   1HG   GLU  18          1HG       GLU  18  -7.403   3.885  -4.644
   99   2HG   GLU  18          2HG       GLU  18  -7.470   2.150  -4.953
  100    H    MET  19           H        MET  19  -5.651   1.974  -4.334
  101    HA   MET  19           HA       MET  19  -3.469   2.008  -2.358
  102   1HB   MET  19          1HB       MET  19  -2.136   0.485  -3.885
  103   2HB   MET  19          2HB       MET  19  -3.374  -0.293  -2.923
  104   1HG   MET  19          1HG       MET  19  -4.921  -0.001  -4.958
  105   2HG   MET  19          2HG       MET  19  -3.474   0.431  -5.864
  106   1HE   MET  19          1HE       MET  19  -3.470  -2.219  -2.866
  107   2HE   MET  19          2HE       MET  19  -4.301  -3.523  -3.704
  108   3HE   MET  19          3HE       MET  19  -5.103  -1.970  -3.489
  109    H    ALA  20           H        ALA  20  -1.463   2.871  -3.346
  110    HA   ALA  20           HA       ALA  20  -1.528   4.029  -6.004
  111   1HB   ALA  20          1HB       ALA  20  -2.361   5.575  -3.553
  112   2HB   ALA  20          2HB       ALA  20  -3.126   5.530  -5.140
  113   3HB   ALA  20          3HB       ALA  20  -1.619   6.417  -4.915
  114    H    LYS  21           H        LYS  21   0.544   4.903  -6.518
  115    HA   LYS  21           HA       LYS  21   2.633   4.407  -4.446
  116   1HB   LYS  21          1HB       LYS  21   2.807   4.793  -7.453
  117   2HB   LYS  21          2HB       LYS  21   4.116   4.253  -6.401
  118   1HG   LYS  21          1HG       LYS  21   3.402   2.137  -6.699
  119   2HG   LYS  21          2HG       LYS  21   1.922   2.562  -5.842
  120   1HD   LYS  21          1HD       LYS  21   0.715   2.847  -7.789
  121   2HD   LYS  21          2HD       LYS  21   2.128   3.358  -8.713
  122   1HE   LYS  21          1HE       LYS  21   2.344   0.588  -7.757
  123   2HE   LYS  21          2HE       LYS  21   0.975   0.842  -8.853
  124   1HZ   LYS  21          1HZ       LYS  21   2.373   1.787 -10.472
  125   2HZ   LYS  21          2HZ       LYS  21   3.220   0.417  -9.930
  126   3HZ   LYS  21          3HZ       LYS  21   3.667   1.965  -9.390
  127    H    THR  22           H        THR  22   3.930   6.089  -3.719
  128    HA   THR  22           HA       THR  22   3.372   8.797  -4.891
  129    HB   THR  22           HB       THR  22   2.586   8.532  -2.612
  130    HG1  THR  22           HG1      THR  22   3.590  10.264  -1.814
  131   1HG2  THR  22          1HG2      THR  22   4.304   7.989  -0.815
  132   2HG2  THR  22          2HG2      THR  22   5.372   7.471  -2.119
  133   3HG2  THR  22          3HG2      THR  22   3.838   6.643  -1.853
  134    H    SER  23           H        SER  23   5.734   6.444  -4.908
  135    HA   SER  23           HA       SER  23   7.802   8.405  -5.662
  136   1HB   SER  23          1HB       SER  23   8.580   6.439  -3.543
  137   2HB   SER  23          2HB       SER  23   9.221   8.048  -3.861
  138    HG   SER  23           HG       SER  23   7.331   8.924  -3.003
  139    H    SER  24           H        SER  24   9.962   6.488  -5.372
  140    HA   SER  24           HA       SER  24   9.520   4.902  -7.779
  141   1HB   SER  24          1HB       SER  24  11.779   4.953  -5.751
  142   2HB   SER  24          2HB       SER  24  11.871   4.276  -7.377
  143    HG   SER  24           HG       SER  24  12.310   6.199  -8.036
  144    H    GLY  25           H        GLY  25   7.643   3.657  -6.771
  145   1HA   GLY  25          1HA       GLY  25   7.178   1.313  -6.347
  146   2HA   GLY  25          2HA       GLY  25   8.704   1.198  -5.474
  147    H    GLN  26           H        GLN  26   7.348   4.057  -4.473
  148    HA   GLN  26           HA       GLN  26   6.672   3.001  -1.867
  149   1HB   GLN  26          1HB       GLN  26   6.857   5.578  -3.285
  150   2HB   GLN  26          2HB       GLN  26   5.645   5.550  -2.005
  151   1HG   GLN  26          1HG       GLN  26   7.889   4.224  -0.939
  152   2HG   GLN  26          2HG       GLN  26   8.534   5.636  -1.777
  153   1HE2  GLN  26          1HE2      GLN  26   7.120   7.741  -1.299
  154   2HE2  GLN  26          2HE2      GLN  26   6.665   7.953   0.322
  155    H    ARG  27           H        ARG  27   5.086   1.431  -3.179
  156    HA   ARG  27           HA       ARG  27   2.494   2.512  -3.941
  157   1HB   ARG  27          1HB       ARG  27   1.892   0.043  -3.882
  158   2HB   ARG  27          2HB       ARG  27   3.264   0.428  -4.907
  159   1HG   ARG  27          1HG       ARG  27   4.661  -0.828  -3.653
  160   2HG   ARG  27          2HG       ARG  27   4.086  -0.085  -2.161
  161   1HD   ARG  27          1HD       ARG  27   2.692  -1.833  -1.722
  162   2HD   ARG  27          2HD       ARG  27   2.119  -1.880  -3.399
  163    HE   ARG  27           HE       ARG  27   4.317  -3.453  -2.306
  164   1HH1  ARG  27          1HH1      ARG  27   3.069  -1.877  -5.149
  165   2HH1  ARG  27          2HH1      ARG  27   3.936  -2.907  -6.234
  166   1HH2  ARG  27          1HH2      ARG  27   5.431  -4.778  -3.736
  167   2HH2  ARG  27          2HH2      ARG  27   5.262  -4.538  -5.444
  168    H    TYR  28           H        TYR  28   1.848   3.732  -2.016
  169    HA   TYR  28           HA       TYR  28   1.498   2.214   0.489
  170   1HB   TYR  28          1HB       TYR  28   0.931   4.354   1.422
  171   2HB   TYR  28          2HB       TYR  28   2.231   4.664   0.276
  172    HD1  TYR  28           HD1      TYR  28   1.801   5.796  -1.845
  173    HD2  TYR  28           HD2      TYR  28  -1.370   5.014   0.939
  174    HE1  TYR  28           HE1      TYR  28   0.335   7.353  -3.082
  175    HE2  TYR  28           HE2      TYR  28  -2.834   6.572  -0.292
  176    HH   TYR  28           HH       TYR  28  -2.783   8.327  -1.833
  177    H    PHE  29           H        PHE  29  -0.451   1.372   1.180
  178    HA   PHE  29           HA       PHE  29  -2.578   1.426  -0.852
  179   1HB   PHE  29          1HB       PHE  29  -1.965  -0.346   1.495
  180   2HB   PHE  29          2HB       PHE  29  -3.398  -0.540   0.491
  181    HD1  PHE  29           HD1      PHE  29  -1.385  -2.704   0.699
  182    HD2  PHE  29           HD2      PHE  29  -1.511   0.645  -2.001
  183    HE1  PHE  29           HE1      PHE  29  -0.060  -3.962  -0.973
  184    HE2  PHE  29           HE2      PHE  29  -0.203  -0.612  -3.648
  185    HZ   PHE  29           HZ       PHE  29   0.526  -2.922  -3.144
  186    H    LEU  30           H        LEU  30  -4.349   2.356  -0.705
  187    HA   LEU  30           HA       LEU  30  -4.961   4.190   1.478
  188   1HB   LEU  30          1HB       LEU  30  -5.849   3.476  -1.293
  189   2HB   LEU  30          2HB       LEU  30  -6.872   4.554  -0.319
  190    HG   LEU  30           HG       LEU  30  -3.906   5.005  -0.658
  191   1HD1  LEU  30          1HD1      LEU  30  -4.785   4.989  -2.905
  192   2HD1  LEU  30          2HD1      LEU  30  -4.551   6.671  -2.430
  193   3HD1  LEU  30          3HD1      LEU  30  -6.169   5.970  -2.422
  194   1HD2  LEU  30          1HD2      LEU  30  -5.032   6.215   1.162
  195   2HD2  LEU  30          2HD2      LEU  30  -6.261   6.796   0.040
  196   3HD2  LEU  30          3HD2      LEU  30  -4.595   7.349  -0.117
  197    H    ASN  31           H        ASN  31  -6.085   3.432   3.228
  198    HA   ASN  31           HA       ASN  31  -7.887   1.107   3.018
  199   1HB   ASN  31          1HB       ASN  31  -6.249   1.646   4.904
  200   2HB   ASN  31          2HB       ASN  31  -7.342   2.953   5.358
  201   1HD2  ASN  31          1HD2      ASN  31  -7.088   1.098   7.315
  202   2HD2  ASN  31          2HD2      ASN  31  -8.422   0.050   7.373
  203    H    HIS  32           H        HIS  32  -9.984   1.441   2.378
  204    HA   HIS  32           HA       HIS  32 -11.187   4.125   2.484
  205   1HB   HIS  32          1HB       HIS  32 -11.413   1.738   0.974
  206   2HB   HIS  32          2HB       HIS  32 -12.975   1.974   1.758
  207    HD1  HIS  32           HD1      HIS  32 -14.510   3.397   0.420
  208    HD2  HIS  32           HD2      HIS  32 -10.527   4.454  -0.211
  209    HE1  HIS  32           HE1      HIS  32 -14.529   5.290  -1.264
  210    H    ILE  33           H        ILE  33 -12.065   0.889   3.772
  211    HA   ILE  33           HA       ILE  33 -14.259   1.642   5.365
  212    HB   ILE  33           HB       ILE  33 -13.593  -0.397   6.689
  213   1HG1  ILE  33          1HG1      ILE  33 -11.334  -0.877   4.814
  214   2HG1  ILE  33          2HG1      ILE  33 -11.046   0.293   6.102
  215   1HG2  ILE  33          1HG2      ILE  33 -14.752  -0.392   4.383
  216   2HG2  ILE  33          2HG2      ILE  33 -14.011  -1.903   4.910
  217   3HG2  ILE  33          3HG2      ILE  33 -13.184  -0.876   3.737
  218   1HD1  ILE  33          1HD1      ILE  33 -12.322  -2.347   6.758
  219   2HD1  ILE  33          2HD1      ILE  33 -11.360  -1.290   7.792
  220   3HD1  ILE  33          3HD1      ILE  33 -10.574  -2.256   6.543
  221    H    ASP  34           H        ASP  34 -10.858   2.252   5.855
  222    HA   ASP  34           HA       ASP  34 -11.467   3.393   8.564
  223   1HB   ASP  34          1HB       ASP  34  -9.828   1.339   8.036
  224   2HB   ASP  34          2HB       ASP  34  -8.702   2.655   7.707
  225    H    GLN  35           H        GLN  35 -10.549   4.127   5.354
  226    HA   GLN  35           HA       GLN  35  -9.765   6.109   4.346
  227   1HB   GLN  35          1HB       GLN  35 -10.636   7.227   7.032
  228   2HB   GLN  35          2HB       GLN  35 -10.469   8.137   5.531
  229   1HG   GLN  35          1HG       GLN  35 -12.120   5.928   4.917
  230   2HG   GLN  35          2HG       GLN  35 -12.710   6.560   6.455
  231   1HE2  GLN  35          1HE2      GLN  35 -13.578   6.816   3.407
  232   2HE2  GLN  35          2HE2      GLN  35 -13.913   8.474   3.268
  233    H    THR  36           H        THR  36  -7.544   5.009   4.733
  234    HA   THR  36           HA       THR  36  -5.773   6.986   6.018
  235    HB   THR  36           HB       THR  36  -4.769   4.896   7.321
  236    HG1  THR  36           HG1      THR  36  -6.718   3.684   8.027
  237   1HG2  THR  36          1HG2      THR  36  -6.057   7.095   8.088
  238   2HG2  THR  36          2HG2      THR  36  -5.722   5.789   9.225
  239   3HG2  THR  36          3HG2      THR  36  -7.317   5.928   8.487
  240    H    THR  37           H        THR  37  -3.487   6.567   5.474
  241    HA   THR  37           HA       THR  37  -3.195   4.728   3.118
  242    HB   THR  37           HB       THR  37  -1.531   6.364   2.337
  243    HG1  THR  37           HG1      THR  37  -1.452   8.349   3.660
  244   1HG2  THR  37          1HG2      THR  37  -3.368   8.435   2.820
  245   2HG2  THR  37          2HG2      THR  37  -4.323   6.953   2.821
  246   3HG2  THR  37          3HG2      THR  37  -3.326   7.360   1.425
  247    H    THR  38           H        THR  38  -1.759   3.067   3.408
  248    HA   THR  38           HA       THR  38   0.348   3.381   5.527
  249    HB   THR  38           HB       THR  38  -1.449   1.910   6.278
  250    HG1  THR  38           HG1      THR  38   0.664   0.278   5.345
  251   1HG2  THR  38          1HG2      THR  38  -1.064   0.700   3.549
  252   2HG2  THR  38          2HG2      THR  38  -2.556   1.233   4.324
  253   3HG2  THR  38          3HG2      THR  38  -1.764  -0.247   4.861
  254    H    TRP  39           H        TRP  39   2.175   1.715   5.124
  255    HA   TRP  39           HA       TRP  39   2.781   1.686   2.192
  256   1HB   TRP  39          1HB       TRP  39   4.641   1.374   4.572
  257   2HB   TRP  39          2HB       TRP  39   5.103   1.709   2.906
  258    HD1  TRP  39           HD1      TRP  39   4.039   3.367   6.080
  259    HE1  TRP  39           HE1      TRP  39   3.892   5.918   5.737
  260    HE3  TRP  39           HE3      TRP  39   4.457   3.600   0.994
  261    HZ2  TRP  39           HZ2      TRP  39   3.945   7.805   3.593
  262    HZ3  TRP  39           HZ3      TRP  39   4.406   5.788  -0.170
  263    HH2  TRP  39           HH2      TRP  39   4.149   7.889   1.122
  264    H    GLN  40           H        GLN  40   3.696  -0.296   5.039
  265    HA   GLN  40           HA       GLN  40   4.338  -2.671   3.693
  266   1HB   GLN  40          1HB       GLN  40   2.979  -2.258   6.377
  267   2HB   GLN  40          2HB       GLN  40   3.841  -3.718   5.892
  268   1HG   GLN  40          1HG       GLN  40   5.785  -1.978   5.371
  269   2HG   GLN  40          2HG       GLN  40   4.922  -1.011   6.568
  270   1HE2  GLN  40          1HE2      GLN  40   5.602  -4.554   6.319
  271   2HE2  GLN  40          2HE2      GLN  40   6.276  -4.680   7.872
  272    H    ASP  41           H        ASP  41   3.094  -3.954   2.395
  273    HA   ASP  41           HA       ASP  41   0.318  -3.634   1.930
  274   1HB   ASP  41          1HB       ASP  41   2.075  -6.093   1.635
  275   2HB   ASP  41          2HB       ASP  41   0.565  -5.799   0.774
  276    HA   PRO  42           HA       PRO  42  -1.489  -5.636   5.423
  277   1HB   PRO  42          1HB       PRO  42  -3.887  -6.393   4.343
  278   2HB   PRO  42          2HB       PRO  42  -3.506  -4.715   4.772
  279   1HG   PRO  42          1HG       PRO  42  -3.472  -6.054   2.109
  280   2HG   PRO  42          2HG       PRO  42  -3.999  -4.422   2.542
  281   1HD   PRO  42          1HD       PRO  42  -1.588  -4.981   1.385
  282   2HD   PRO  42          2HD       PRO  42  -1.876  -3.571   2.427
  283    H    ARG  43           H        ARG  43  -1.017  -7.284   2.390
  284    HA   ARG  43           HA       ARG  43  -1.360  -9.934   3.755
  285   1HB   ARG  43          1HB       ARG  43  -1.713  -8.904   0.949
  286   2HB   ARG  43          2HB       ARG  43  -1.423 -10.623   1.220
  287   1HG   ARG  43          1HG       ARG  43  -3.434 -10.924   2.343
  288   2HG   ARG  43          2HG       ARG  43  -3.513  -9.242   2.865
  289   1HD   ARG  43          1HD       ARG  43  -4.775  -8.711   1.057
  290   2HD   ARG  43          2HD       ARG  43  -3.550  -9.389  -0.033
  291    HE   ARG  43           HE       ARG  43  -5.937 -10.772   0.938
  292   1HH1  ARG  43          1HH1      ARG  43  -2.665 -11.120  -0.197
  293   2HH1  ARG  43          2HH1      ARG  43  -2.907 -12.747  -0.731
  294   1HH2  ARG  43          1HH2      ARG  43  -6.227 -12.884   0.236
  295   2HH2  ARG  43          2HH2      ARG  43  -4.908 -13.740  -0.490
  296    H    LYS  44           H        LYS  44   0.708  -8.119   1.472
  297    HA   LYS  44           HA       LYS  44   2.762 -10.116   1.246
  298   1HB   LYS  44          1HB       LYS  44   2.111  -7.710   0.094
  299   2HB   LYS  44          2HB       LYS  44   3.522  -7.267   1.053
  300   1HG   LYS  44          1HG       LYS  44   3.617  -9.765  -0.607
  301   2HG   LYS  44          2HG       LYS  44   3.828  -8.203  -1.399
  302   1HD   LYS  44          1HD       LYS  44   6.028  -8.696  -0.827
  303   2HD   LYS  44          2HD       LYS  44   5.519  -7.777   0.590
  304   1HE   LYS  44          1HE       LYS  44   6.113  -9.586   1.834
  305   2HE   LYS  44          2HE       LYS  44   4.731 -10.435   1.116
  306   1HZ   LYS  44          1HZ       LYS  44   6.080 -11.123  -0.714
  307   2HZ   LYS  44          2HZ       LYS  44   6.921 -11.529   0.706
  308   3HZ   LYS  44          3HZ       LYS  44   7.384 -10.170  -0.199
  309    H    GLY   3           H        GLY   3   5.952  12.692   4.861
  310   1HA   GLY   3          1HA       GLY   3   5.059  10.785   6.934
  311   2HA   GLY   3          2HA       GLY   3   4.233  12.274   6.478
  312    HA   PRO   4           HA       PRO   4   2.050   8.693   4.502
  313   1HB   PRO   4          1HB       PRO   4  -0.458   9.370   5.368
  314   2HB   PRO   4          2HB       PRO   4   0.648   8.350   6.308
  315   1HG   PRO   4          1HG       PRO   4   0.017  11.246   6.609
  316   2HG   PRO   4          2HG       PRO   4   0.289  10.018   7.851
  317   1HD   PRO   4          1HD       PRO   4   2.166  11.856   7.095
  318   2HD   PRO   4          2HD       PRO   4   2.565  10.261   7.767
  319    HA   PRO   5           HA       PRO   5   0.965  11.424   1.184
  320   1HB   PRO   5          1HB       PRO   5  -0.329   9.634  -0.433
  321   2HB   PRO   5          2HB       PRO   5   1.436   9.677  -0.255
  322   1HG   PRO   5          1HG       PRO   5  -0.560   7.853   0.996
  323   2HG   PRO   5          2HG       PRO   5   1.059   7.499   0.381
  324   1HD   PRO   5          1HD       PRO   5   0.469   7.809   3.034
  325   2HD   PRO   5          2HD       PRO   5   2.070   8.121   2.336
  326    HA   PRO   6           HA       PRO   6  -3.208  12.605   1.979
  327   1HB   PRO   6          1HB       PRO   6  -3.884  13.836  -0.371
  328   2HB   PRO   6          2HB       PRO   6  -2.788  14.561   0.821
  329   1HG   PRO   6          1HG       PRO   6  -2.160  13.139  -1.721
  330   2HG   PRO   6          2HG       PRO   6  -1.395  14.567  -1.012
  331   1HD   PRO   6          1HD       PRO   6  -0.332  12.053  -0.881
  332   2HD   PRO   6          2HD       PRO   6  -0.022  13.316   0.330
  333    H    TYR   7           H        TYR   7  -5.145  11.496   1.866
  334    HA   TYR   7           HA       TYR   7  -5.435   9.181   0.167
  335   1HB   TYR   7          1HB       TYR   7  -6.445   9.972   2.517
  336   2HB   TYR   7          2HB       TYR   7  -7.766  10.516   1.482
  337    HD1  TYR   7           HD1      TYR   7  -8.812   8.841  -0.141
  338    HD2  TYR   7           HD2      TYR   7  -6.186   7.680   3.053
  339    HE1  TYR   7           HE1      TYR   7  -9.647   6.511  -0.301
  340    HE2  TYR   7           HE2      TYR   7  -7.019   5.350   2.892
  341    HH   TYR   7           HH       TYR   7  -8.673   4.165   0.311
  342   1HN   NH2   8          1HN       NH2   8  -6.044   9.256  -2.016
  343   2HN   NH2   8          2HN       NH2   8  -7.021  10.452  -2.720
  344   1H1   OCT   2          1H1       OCT   2   7.031  10.835   6.869
  345   2H1   OCT   2          2H1       OCT   2   7.943  12.104   6.030
  346   1H2   OCT   2          1H2       OCT   2   7.416  10.575   3.908
  347   2H2   OCT   2          2H2       OCT   2   7.298   9.310   5.132
  348   1H3   OCT   2          1H3       OCT   2   9.559  10.060   5.986
  349   2H3   OCT   2          2H3       OCT   2   9.671  11.113   4.576
  350   1H4   OCT   2          1H4       OCT   2   9.865   9.332   3.097
  351   2H4   OCT   2          2H4       OCT   2   8.996   8.222   4.159
  352   1H5   OCT   2          1H5       OCT   2  11.197   7.471   4.395
  353   2H5   OCT   2          2H5       OCT   2  11.062   8.593   5.750
  354   1H6   OCT   2          1H6       OCT   2  11.807  10.098   3.440
  355   2H6   OCT   2          2H6       OCT   2  12.873   8.696   3.534
  356   1H7   OCT   2          1H7       OCT   2  13.577   9.267   5.746
  357   2H7   OCT   2          2H7       OCT   2  12.284  10.454   5.927
  358   1H8   OCT   2          1H8       OCT   2  13.450  12.059   4.816
  359   2H8   OCT   2          2H8       OCT   2  14.039  10.921   3.604
  360   3H8   OCT   2          3H8       OCT   2  14.855  11.050   5.161
  Start of MODEL   12
    1    H    PHE   5           H        PHE   5   7.557  -7.031  -9.917
    2    HA   PHE   5           HA       PHE   5   8.972  -8.005  -8.302
    3   1HB   PHE   5          1HB       PHE   5   7.192  -6.084  -6.993
    4   2HB   PHE   5          2HB       PHE   5   7.764  -7.329  -5.883
    5    HD1  PHE   5           HD1      PHE   5   8.652  -4.382  -7.803
    6    HD2  PHE   5           HD2      PHE   5  10.245  -7.757  -5.676
    7    HE1  PHE   5           HE1      PHE   5  10.863  -3.267  -7.688
    8    HE2  PHE   5           HE2      PHE   5  12.457  -6.641  -5.560
    9    HZ   PHE   5           HZ       PHE   5  12.766  -4.395  -6.567
   10    H    GLU   6           H        GLU   6   6.097  -8.263  -6.246
   11    HA   GLU   6           HA       GLU   6   5.797 -11.142  -6.909
   12   1HB   GLU   6          1HB       GLU   6   7.622 -10.621  -5.116
   13   2HB   GLU   6          2HB       GLU   6   6.255 -10.271  -4.058
   14   1HG   GLU   6          1HG       GLU   6   5.336 -12.568  -4.803
   15   2HG   GLU   6          2HG       GLU   6   6.965 -12.880  -5.404
   16    H    ILE   7           H        ILE   7   3.601 -10.940  -7.405
   17    HA   ILE   7           HA       ILE   7   1.786 -10.318  -5.150
   18    HB   ILE   7           HB       ILE   7   2.261  -8.159  -6.248
   19   1HG1  ILE   7          1HG1      ILE   7  -0.224  -7.873  -7.207
   20   2HG1  ILE   7          2HG1      ILE   7  -0.432  -9.442  -6.429
   21   1HG2  ILE   7          1HG2      ILE   7   2.055  -7.807  -8.546
   22   2HG2  ILE   7          2HG2      ILE   7   0.975  -9.184  -8.763
   23   3HG2  ILE   7          3HG2      ILE   7   2.700  -9.448  -8.500
   24   1HD1  ILE   7          1HD1      ILE   7  -0.452  -6.900  -5.188
   25   2HD1  ILE   7          2HD1      ILE   7   1.050  -7.679  -4.688
   26   3HD1  ILE   7          3HD1      ILE   7  -0.497  -8.475  -4.396
   27    HA   PRO   8           HA       PRO   8  -0.306 -13.633  -7.229
   28   1HB   PRO   8          1HB       PRO   8  -2.691 -13.510  -5.892
   29   2HB   PRO   8          2HB       PRO   8  -1.217 -14.194  -5.180
   30   1HG   PRO   8          1HG       PRO   8  -2.452 -11.510  -4.788
   31   2HG   PRO   8          2HG       PRO   8  -1.669 -12.572  -3.610
   32   1HD   PRO   8          1HD       PRO   8  -0.458 -10.394  -4.731
   33   2HD   PRO   8          2HD       PRO   8   0.428 -11.817  -4.142
   34    H    ASP   9           H        ASP   9  -2.596 -13.921  -8.317
   35    HA   ASP   9           HA       ASP   9  -3.328 -11.336  -9.657
   36   1HB   ASP   9          1HB       ASP   9  -2.788 -14.121 -10.581
   37   2HB   ASP   9          2HB       ASP   9  -4.047 -13.227 -11.434
   38    H    ASP  10           H        ASP  10  -4.703 -11.841  -7.344
   39    HA   ASP  10           HA       ASP  10  -7.430 -12.355  -8.336
   40   1HB   ASP  10          1HB       ASP  10  -6.580 -14.600  -7.857
   41   2HB   ASP  10          2HB       ASP  10  -6.054 -14.084  -6.256
   42    H    VAL  11           H        VAL  11  -5.956 -12.525  -5.084
   43    HA   VAL  11           HA       VAL  11  -7.414 -10.000  -4.379
   44    HB   VAL  11           HB       VAL  11  -7.186 -12.578  -2.790
   45   1HG1  VAL  11          1HG1      VAL  11  -9.025 -11.282  -1.448
   46   2HG1  VAL  11          2HG1      VAL  11  -8.316  -9.853  -2.200
   47   3HG1  VAL  11          3HG1      VAL  11  -7.327 -10.889  -1.172
   48   1HG2  VAL  11          1HG2      VAL  11  -9.872 -11.820  -3.311
   49   2HG2  VAL  11          2HG2      VAL  11  -9.013 -13.229  -3.931
   50   3HG2  VAL  11          3HG2      VAL  11  -9.008 -11.720  -4.844
   51    HA   PRO  12           HA       PRO  12  -2.954  -9.840  -3.111
   52   1HB   PRO  12          1HB       PRO  12  -2.501  -7.295  -4.012
   53   2HB   PRO  12          2HB       PRO  12  -2.320  -8.731  -5.039
   54   1HG   PRO  12          1HG       PRO  12  -4.568  -6.780  -4.877
   55   2HG   PRO  12          2HG       PRO  12  -3.865  -7.576  -6.293
   56   1HD   PRO  12          1HD       PRO  12  -6.203  -8.360  -5.113
   57   2HD   PRO  12          2HD       PRO  12  -5.142  -9.458  -6.020
   58    H    LEU  13           H        LEU  13  -5.181  -7.025  -3.044
   59    HA   LEU  13           HA       LEU  13  -4.260  -6.412  -0.276
   60   1HB   LEU  13          1HB       LEU  13  -5.432  -4.973  -2.596
   61   2HB   LEU  13          2HB       LEU  13  -5.934  -4.398  -1.008
   62    HG   LEU  13           HG       LEU  13  -3.900  -3.232  -1.875
   63   1HD1  LEU  13          1HD1      LEU  13  -4.357  -3.523   0.578
   64   2HD1  LEU  13          2HD1      LEU  13  -2.644  -3.368   0.197
   65   3HD1  LEU  13          3HD1      LEU  13  -3.325  -4.950   0.554
   66   1HD2  LEU  13          1HD2      LEU  13  -2.798  -4.936  -3.124
   67   2HD2  LEU  13          2HD2      LEU  13  -2.780  -6.037  -1.748
   68   3HD2  LEU  13          3HD2      LEU  13  -1.752  -4.607  -1.745
   69    HA   PRO  14           HA       PRO  14  -8.184  -7.570   1.361
   70   1HB   PRO  14          1HB       PRO  14  -8.618  -5.695   3.303
   71   2HB   PRO  14          2HB       PRO  14  -7.376  -6.951   3.427
   72   1HG   PRO  14          1HG       PRO  14  -7.087  -4.079   2.955
   73   2HG   PRO  14          2HG       PRO  14  -5.904  -5.245   3.547
   74   1HD   PRO  14          1HD       PRO  14  -6.148  -4.158   0.909
   75   2HD   PRO  14          2HD       PRO  14  -4.962  -5.338   1.501
   76    H    ALA  15           H        ALA  15 -10.496  -6.722   1.895
   77    HA   ALA  15           HA       ALA  15 -11.538  -5.321  -0.400
   78   1HB   ALA  15          1HB       ALA  15 -13.210  -6.613   0.421
   79   2HB   ALA  15          2HB       ALA  15 -13.483  -5.328   1.597
   80   3HB   ALA  15          3HB       ALA  15 -12.454  -6.698   2.012
   81    H    GLY  16           H        GLY  16 -12.647  -3.248  -0.387
   82   1HA   GLY  16          1HA       GLY  16 -12.751  -0.952   0.091
   83   2HA   GLY  16          2HA       GLY  16 -12.787  -1.446   1.783
   84    H    TRP  17           H        TRP  17 -10.151  -2.006  -0.537
   85    HA   TRP  17           HA       TRP  17  -8.482  -0.031   0.966
   86   1HB   TRP  17          1HB       TRP  17  -8.302  -2.969   0.867
   87   2HB   TRP  17          2HB       TRP  17  -6.788  -2.154   0.497
   88    HD1  TRP  17           HD1      TRP  17  -9.335  -2.607   3.309
   89    HE1  TRP  17           HE1      TRP  17  -8.263  -1.799   5.512
   90    HE3  TRP  17           HE3      TRP  17  -5.046  -0.546   1.489
   91    HZ2  TRP  17           HZ2      TRP  17  -5.886  -0.451   6.383
   92    HZ3  TRP  17           HZ3      TRP  17  -3.394   0.493   3.015
   93    HH2  TRP  17           HH2      TRP  17  -3.808   0.543   5.456
   94    H    GLU  18           H        GLU  18  -8.228   1.370  -0.836
   95    HA   GLU  18           HA       GLU  18  -7.517   0.287  -3.480
   96   1HB   GLU  18          1HB       GLU  18  -8.828   2.476  -2.785
   97   2HB   GLU  18          2HB       GLU  18  -7.211   3.162  -2.618
   98   1HG   GLU  18          1HG       GLU  18  -7.119   3.464  -4.836
   99   2HG   GLU  18          2HG       GLU  18  -7.254   1.721  -5.067
  100    H    MET  19           H        MET  19  -5.445   1.745  -4.383
  101    HA   MET  19           HA       MET  19  -3.288   1.797  -2.372
  102   1HB   MET  19          1HB       MET  19  -1.935   0.204  -3.677
  103   2HB   MET  19          2HB       MET  19  -3.414  -0.531  -3.085
  104   1HG   MET  19          1HG       MET  19  -4.486  -0.125  -5.261
  105   2HG   MET  19          2HG       MET  19  -2.981   0.552  -5.875
  106   1HE   MET  19          1HE       MET  19  -5.021  -2.639  -5.016
  107   2HE   MET  19          2HE       MET  19  -4.067  -2.295  -3.574
  108   3HE   MET  19          3HE       MET  19  -3.753  -3.760  -4.501
  109    H    ALA  20           H        ALA  20  -1.295   2.732  -3.300
  110    HA   ALA  20           HA       ALA  20  -1.336   3.896  -5.960
  111   1HB   ALA  20          1HB       ALA  20  -1.550   6.267  -4.922
  112   2HB   ALA  20          2HB       ALA  20  -2.195   5.435  -3.507
  113   3HB   ALA  20          3HB       ALA  20  -3.021   5.303  -5.059
  114    H    LYS  21           H        LYS  21   0.720   4.727  -6.465
  115    HA   LYS  21           HA       LYS  21   2.806   4.311  -4.397
  116   1HB   LYS  21          1HB       LYS  21   2.980   4.875  -7.375
  117   2HB   LYS  21          2HB       LYS  21   4.303   4.330  -6.345
  118   1HG   LYS  21          1HG       LYS  21   3.634   2.179  -6.483
  119   2HG   LYS  21          2HG       LYS  21   1.968   2.606  -6.092
  120   1HD   LYS  21          1HD       LYS  21   1.539   2.010  -8.246
  121   2HD   LYS  21          2HD       LYS  21   2.201   3.596  -8.639
  122   1HE   LYS  21          1HE       LYS  21   4.010   2.661  -9.645
  123   2HE   LYS  21          2HE       LYS  21   4.314   1.611  -8.248
  124   1HZ   LYS  21          1HZ       LYS  21   2.655   0.099  -8.980
  125   2HZ   LYS  21          2HZ       LYS  21   3.627   0.421 -10.334
  126   3HZ   LYS  21          3HZ       LYS  21   2.105   1.160 -10.183
  127    H    THR  22           H        THR  22   3.832   6.052  -3.434
  128    HA   THR  22           HA       THR  22   3.286   8.752  -4.645
  129    HB   THR  22           HB       THR  22   2.195   8.199  -2.462
  130    HG1  THR  22           HG1      THR  22   3.150  10.091  -1.375
  131   1HG2  THR  22          1HG2      THR  22   4.357   8.522  -0.689
  132   2HG2  THR  22          2HG2      THR  22   4.880   7.312  -1.857
  133   3HG2  THR  22          3HG2      THR  22   3.396   7.065  -0.937
  134    H    SER  23           H        SER  23   5.724   6.708  -4.783
  135    HA   SER  23           HA       SER  23   7.754   8.746  -5.025
  136   1HB   SER  23          1HB       SER  23   7.737   8.866  -2.660
  137   2HB   SER  23          2HB       SER  23   7.569   7.120  -2.488
  138    HG   SER  23           HG       SER  23   9.817   8.340  -3.688
  139    H    SER  24           H        SER  24   7.196   6.900  -6.881
  140    HA   SER  24           HA       SER  24   8.079   5.107  -8.148
  141   1HB   SER  24          1HB       SER  24   9.982   6.476  -8.333
  142   2HB   SER  24          2HB       SER  24  10.364   6.332  -6.618
  143    HG   SER  24           HG       SER  24  11.342   4.912  -8.575
  144    H    GLY  25           H        GLY  25   7.005   3.285  -7.244
  145   1HA   GLY  25          1HA       GLY  25   7.137   1.099  -6.335
  146   2HA   GLY  25          2HA       GLY  25   8.711   1.503  -5.660
  147    H    GLN  26           H        GLN  26   6.862   4.038  -4.716
  148    HA   GLN  26           HA       GLN  26   6.523   2.923  -2.017
  149   1HB   GLN  26          1HB       GLN  26   6.949   5.445  -3.252
  150   2HB   GLN  26          2HB       GLN  26   5.408   5.546  -2.408
  151   1HG   GLN  26          1HG       GLN  26   6.771   6.030  -0.627
  152   2HG   GLN  26          2HG       GLN  26   6.850   4.272  -0.520
  153   1HE2  GLN  26          1HE2      GLN  26   9.041   5.555   0.510
  154   2HE2  GLN  26          2HE2      GLN  26  10.368   5.448  -0.543
  155    H    ARG  27           H        ARG  27   4.887   1.480  -3.622
  156    HA   ARG  27           HA       ARG  27   2.244   2.465  -4.106
  157   1HB   ARG  27          1HB       ARG  27   1.709  -0.058  -3.962
  158   2HB   ARG  27          2HB       ARG  27   2.906   0.415  -5.154
  159   1HG   ARG  27          1HG       ARG  27   4.567  -0.706  -4.086
  160   2HG   ARG  27          2HG       ARG  27   4.051  -0.104  -2.510
  161   1HD   ARG  27          1HD       ARG  27   3.252  -2.145  -2.078
  162   2HD   ARG  27          2HD       ARG  27   2.031  -1.887  -3.336
  163    HE   ARG  27           HE       ARG  27   3.340  -3.227  -4.793
  164   1HH1  ARG  27          1HH1      ARG  27   5.202  -2.193  -2.040
  165   2HH1  ARG  27          2HH1      ARG  27   6.567  -3.169  -2.458
  166   1HH2  ARG  27          1HH2      ARG  27   5.125  -4.485  -5.314
  167   2HH2  ARG  27          2HH2      ARG  27   6.525  -4.458  -4.296
  168    H    TYR  28           H        TYR  28   2.072   3.673  -1.949
  169    HA   TYR  28           HA       TYR  28   1.652   2.116   0.467
  170   1HB   TYR  28          1HB       TYR  28   1.114   4.246   1.431
  171   2HB   TYR  28          2HB       TYR  28   2.356   4.577   0.228
  172    HD1  TYR  28           HD1      TYR  28  -1.264   4.703   0.931
  173    HD2  TYR  28           HD2      TYR  28   1.883   5.883  -1.732
  174    HE1  TYR  28           HE1      TYR  28  -2.815   6.244  -0.213
  175    HE2  TYR  28           HE2      TYR  28   0.331   7.428  -2.882
  176    HH   TYR  28           HH       TYR  28  -3.060   7.359  -2.359
  177    H    PHE  29           H        PHE  29  -0.322   1.333   1.249
  178    HA   PHE  29           HA       PHE  29  -2.416   1.193  -0.807
  179   1HB   PHE  29          1HB       PHE  29  -1.726  -0.298   1.706
  180   2HB   PHE  29          2HB       PHE  29  -3.243  -0.591   0.841
  181    HD1  PHE  29           HD1      PHE  29   0.443  -0.717   0.614
  182    HD2  PHE  29           HD2      PHE  29  -3.256  -1.472  -1.413
  183    HE1  PHE  29           HE1      PHE  29   1.654  -1.937  -1.156
  184    HE2  PHE  29           HE2      PHE  29  -2.044  -2.700  -3.187
  185    HZ   PHE  29           HZ       PHE  29   0.418  -2.931  -3.065
  186    H    LEU  30           H        LEU  30  -4.266   2.134  -0.752
  187    HA   LEU  30           HA       LEU  30  -4.902   4.133   1.287
  188   1HB   LEU  30          1HB       LEU  30  -5.748   3.246  -1.432
  189   2HB   LEU  30          2HB       LEU  30  -6.873   4.252  -0.513
  190    HG   LEU  30           HG       LEU  30  -3.973   4.925  -1.070
  191   1HD1  LEU  30          1HD1      LEU  30  -5.450   6.839  -2.318
  192   2HD1  LEU  30          2HD1      LEU  30  -6.506   5.441  -2.525
  193   3HD1  LEU  30          3HD1      LEU  30  -4.850   5.393  -3.131
  194   1HD2  LEU  30          1HD2      LEU  30  -6.179   6.157   0.528
  195   2HD2  LEU  30          2HD2      LEU  30  -5.104   7.245  -0.350
  196   3HD2  LEU  30          3HD2      LEU  30  -4.445   6.130   0.846
  197    H    ASN  31           H        ASN  31  -6.112   3.597   3.051
  198    HA   ASN  31           HA       ASN  31  -7.858   1.197   3.011
  199   1HB   ASN  31          1HB       ASN  31  -6.191   1.864   4.845
  200   2HB   ASN  31          2HB       ASN  31  -7.310   3.165   5.244
  201   1HD2  ASN  31          1HD2      ASN  31  -7.160   1.604   7.347
  202   2HD2  ASN  31          2HD2      ASN  31  -8.402   0.451   7.440
  203    H    HIS  32           H        HIS  32  -9.853   1.663   2.071
  204    HA   HIS  32           HA       HIS  32 -11.052   4.324   2.228
  205   1HB   HIS  32          1HB       HIS  32 -11.249   1.992   0.668
  206   2HB   HIS  32          2HB       HIS  32 -12.819   2.146   1.454
  207    HD1  HIS  32           HD1      HIS  32 -14.247   4.237   0.887
  208    HD2  HIS  32           HD2      HIS  32 -10.613   4.096  -1.151
  209    HE1  HIS  32           HE1      HIS  32 -14.372   6.007  -0.920
  210    H    ILE  33           H        ILE  33 -11.759   1.131   3.683
  211    HA   ILE  33           HA       ILE  33 -14.109   1.835   5.102
  212    HB   ILE  33           HB       ILE  33 -13.428  -0.112   6.531
  213   1HG1  ILE  33          1HG1      ILE  33 -11.015  -0.549   4.855
  214   2HG1  ILE  33          2HG1      ILE  33 -10.887   0.715   6.079
  215   1HG2  ILE  33          1HG2      ILE  33 -14.127  -0.076   3.873
  216   2HG2  ILE  33          2HG2      ILE  33 -14.015  -1.534   4.860
  217   3HG2  ILE  33          3HG2      ILE  33 -12.656  -1.049   3.847
  218   1HD1  ILE  33          1HD1      ILE  33 -10.226  -1.215   7.250
  219   2HD1  ILE  33          2HD1      ILE  33 -11.434  -2.224   6.454
  220   3HD1  ILE  33          3HD1      ILE  33 -11.928  -1.057   7.682
  221    H    ASP  34           H        ASP  34 -10.812   2.778   5.655
  222    HA   ASP  34           HA       ASP  34 -11.646   4.051   8.239
  223   1HB   ASP  34          1HB       ASP  34  -9.912   1.914   7.907
  224   2HB   ASP  34          2HB       ASP  34  -8.822   3.295   8.011
  225    H    GLN  35           H        GLN  35 -10.716   4.671   5.132
  226    HA   GLN  35           HA       GLN  35  -9.661   6.489   4.058
  227   1HB   GLN  35          1HB       GLN  35 -10.461   7.788   6.679
  228   2HB   GLN  35          2HB       GLN  35 -10.200   8.612   5.142
  229   1HG   GLN  35          1HG       GLN  35 -12.086   7.487   4.138
  230   2HG   GLN  35          2HG       GLN  35 -12.270   6.436   5.543
  231   1HE2  GLN  35          1HE2      GLN  35 -12.487   9.875   4.537
  232   2HE2  GLN  35          2HE2      GLN  35 -13.573  10.326   5.760
  233    H    THR  36           H        THR  36  -7.604   5.039   4.788
  234    HA   THR  36           HA       THR  36  -5.689   6.988   5.975
  235    HB   THR  36           HB       THR  36  -4.862   4.722   7.207
  236    HG1  THR  36           HG1      THR  36  -6.704   3.621   7.924
  237   1HG2  THR  36          1HG2      THR  36  -5.754   5.641   9.203
  238   2HG2  THR  36          2HG2      THR  36  -7.132   6.345   8.355
  239   3HG2  THR  36          3HG2      THR  36  -5.519   7.024   8.134
  240    H    THR  37           H        THR  37  -3.366   5.926   5.801
  241    HA   THR  37           HA       THR  37  -3.182   4.298   3.287
  242    HB   THR  37           HB       THR  37  -1.458   5.840   2.499
  243    HG1  THR  37           HG1      THR  37  -0.440   6.594   4.223
  244   1HG2  THR  37          1HG2      THR  37  -4.150   6.461   2.745
  245   2HG2  THR  37          2HG2      THR  37  -2.988   7.312   1.730
  246   3HG2  THR  37          3HG2      THR  37  -3.344   7.910   3.350
  247    H    THR  38           H        THR  38  -1.679   2.642   3.464
  248    HA   THR  38           HA       THR  38   0.214   2.750   5.793
  249    HB   THR  38           HB       THR  38  -1.744   1.188   6.013
  250    HG1  THR  38           HG1      THR  38  -0.489  -0.272   6.921
  251   1HG2  THR  38          1HG2      THR  38  -2.187  -0.489   4.495
  252   2HG2  THR  38          2HG2      THR  38  -0.504  -0.618   3.987
  253   3HG2  THR  38          3HG2      THR  38  -1.504   0.708   3.394
  254    H    TRP  39           H        TRP  39   2.180   1.343   5.434
  255    HA   TRP  39           HA       TRP  39   2.955   1.314   2.531
  256   1HB   TRP  39          1HB       TRP  39   4.736   1.670   4.964
  257   2HB   TRP  39          2HB       TRP  39   5.182   1.924   3.278
  258    HD1  TRP  39           HD1      TRP  39   3.180   3.482   6.127
  259    HE1  TRP  39           HE1      TRP  39   2.671   5.941   5.543
  260    HE3  TRP  39           HE3      TRP  39   4.872   3.617   1.308
  261    HZ2  TRP  39           HZ2      TRP  39   2.943   7.724   3.330
  262    HZ3  TRP  39           HZ3      TRP  39   4.733   5.710  -0.012
  263    HH2  TRP  39           HH2      TRP  39   3.770   7.763   0.993
  264    H    GLN  40           H        GLN  40   2.829  -0.468   5.540
  265    HA   GLN  40           HA       GLN  40   4.701  -2.546   4.965
  266   1HB   GLN  40          1HB       GLN  40   3.387  -3.748   6.701
  267   2HB   GLN  40          2HB       GLN  40   3.712  -2.079   7.167
  268   1HG   GLN  40          1HG       GLN  40   1.509  -1.626   7.271
  269   2HG   GLN  40          2HG       GLN  40   1.272  -2.213   5.624
  270   1HE2  GLN  40          1HE2      GLN  40  -0.577  -3.543   5.928
  271   2HE2  GLN  40          2HE2      GLN  40  -0.612  -4.870   6.985
  272    H    ASP  41           H        ASP  41   1.662  -1.832   3.507
  273    HA   ASP  41           HA       ASP  41   0.363  -3.014   1.931
  274   1HB   ASP  41          1HB       ASP  41   2.909  -4.658   1.731
  275   2HB   ASP  41          2HB       ASP  41   1.674  -4.478   0.487
  276    HA   PRO  42           HA       PRO  42  -0.677  -6.285   4.954
  277   1HB   PRO  42          1HB       PRO  42  -3.388  -6.003   4.691
  278   2HB   PRO  42          2HB       PRO  42  -2.411  -4.995   5.775
  279   1HG   PRO  42          1HG       PRO  42  -3.485  -4.384   3.063
  280   2HG   PRO  42          2HG       PRO  42  -3.359  -3.340   4.485
  281   1HD   PRO  42          1HD       PRO  42  -1.621  -3.246   2.380
  282   2HD   PRO  42          2HD       PRO  42  -1.181  -2.784   4.036
  283    H    ARG  43           H        ARG  43  -1.324  -8.433   4.479
  284    HA   ARG  43           HA       ARG  43  -1.718 -10.297   3.079
  285   1HB   ARG  43          1HB       ARG  43  -3.944  -9.168   3.196
  286   2HB   ARG  43          2HB       ARG  43  -3.524  -8.249   1.750
  287   1HG   ARG  43          1HG       ARG  43  -3.071 -10.569   0.673
  288   2HG   ARG  43          2HG       ARG  43  -4.005 -11.213   2.024
  289   1HD   ARG  43          1HD       ARG  43  -5.547  -9.065   1.118
  290   2HD   ARG  43          2HD       ARG  43  -4.954  -9.832  -0.368
  291    HE   ARG  43           HE       ARG  43  -6.220 -11.755   0.193
  292   1HH1  ARG  43          1HH1      ARG  43  -5.810  -9.686   2.964
  293   2HH1  ARG  43          2HH1      ARG  43  -6.866 -10.625   3.959
  294   1HH2  ARG  43          1HH2      ARG  43  -7.589 -12.956   1.506
  295   2HH2  ARG  43          2HH2      ARG  43  -7.867 -12.462   3.143
  296    H    LYS  44           H        LYS  44   0.313 -10.496   2.022
  297    HA   LYS  44           HA       LYS  44   0.392  -9.369  -0.751
  298   1HB   LYS  44          1HB       LYS  44   2.314  -9.102   1.531
  299   2HB   LYS  44          2HB       LYS  44   2.973  -9.205  -0.102
  300   1HG   LYS  44          1HG       LYS  44   0.679  -7.381   0.129
  301   2HG   LYS  44          2HG       LYS  44   2.070  -6.889   1.094
  302   1HD   LYS  44          1HD       LYS  44   2.927  -6.032  -0.815
  303   2HD   LYS  44          2HD       LYS  44   3.192  -7.699  -1.325
  304   1HE   LYS  44          1HE       LYS  44   1.207  -7.752  -2.606
  305   2HE   LYS  44          2HE       LYS  44   0.512  -6.365  -1.745
  306   1HZ   LYS  44          1HZ       LYS  44   1.369  -5.578  -3.819
  307   2HZ   LYS  44          2HZ       LYS  44   2.857  -6.361  -3.575
  308   3HZ   LYS  44          3HZ       LYS  44   2.420  -5.036  -2.603
  309    H    GLY   3           H        GLY   3   5.328  10.327   3.430
  310   1HA   GLY   3          1HA       GLY   3   5.004  10.433   6.179
  311   2HA   GLY   3          2HA       GLY   3   4.690  12.087   5.652
  312    HA   PRO   4           HA       PRO   4   0.661  10.016   5.284
  313   1HB   PRO   4          1HB       PRO   4  -0.811  12.291   5.671
  314   2HB   PRO   4          2HB       PRO   4  -0.162  11.318   7.003
  315   1HG   PRO   4          1HG       PRO   4   0.875  13.850   5.817
  316   2HG   PRO   4          2HG       PRO   4   0.807  13.345   7.513
  317   1HD   PRO   4          1HD       PRO   4   3.074  13.243   6.001
  318   2HD   PRO   4          2HD       PRO   4   2.757  12.148   7.362
  319    HA   PRO   5           HA       PRO   5   0.723  11.464   0.994
  320   1HB   PRO   5          1HB       PRO   5  -0.777   9.404  -0.010
  321   2HB   PRO   5          2HB       PRO   5   0.962   9.267   0.316
  322   1HG   PRO   5          1HG       PRO   5  -1.356   8.343   1.944
  323   2HG   PRO   5          2HG       PRO   5   0.187   7.539   1.629
  324   1HD   PRO   5          1HD       PRO   5  -0.372   8.853   3.949
  325   2HD   PRO   5          2HD       PRO   5   1.269   8.705   3.287
  326    HA   PRO   6           HA       PRO   6  -3.262  13.321   0.685
  327   1HB   PRO   6          1HB       PRO   6  -3.890  13.154  -1.971
  328   2HB   PRO   6          2HB       PRO   6  -2.641  14.244  -1.339
  329   1HG   PRO   6          1HG       PRO   6  -2.358  11.605  -2.688
  330   2HG   PRO   6          2HG       PRO   6  -1.355  13.056  -2.826
  331   1HD   PRO   6          1HD       PRO   6  -0.688  10.859  -1.325
  332   2HD   PRO   6          2HD       PRO   6  -0.094  12.500  -1.003
  333    H    TYR   7           H        TYR   7  -5.286  12.577   1.229
  334    HA   TYR   7           HA       TYR   7  -6.728  10.574  -0.266
  335   1HB   TYR   7          1HB       TYR   7  -4.894   9.247   0.862
  336   2HB   TYR   7          2HB       TYR   7  -5.594   9.708   2.412
  337    HD1  TYR   7           HD1      TYR   7  -6.497   7.702   3.276
  338    HD2  TYR   7           HD2      TYR   7  -7.331   8.821  -0.790
  339    HE1  TYR   7           HE1      TYR   7  -8.114   5.840   3.089
  340    HE2  TYR   7           HE2      TYR   7  -8.951   6.961  -0.969
  341    HH   TYR   7           HH       TYR   7  -9.051   4.417   1.010
  342   1HN   NH2   8          1HN       NH2   8  -6.402  11.540   3.213
  343   2HN   NH2   8          2HN       NH2   8  -8.022  12.019   3.386
  344   1H1   OCT   2          1H1       OCT   2   7.210  10.149   5.404
  345   2H1   OCT   2          2H1       OCT   2   7.331  11.858   4.945
  346   1H2   OCT   2          1H2       OCT   2   7.286  10.824   2.485
  347   2H2   OCT   2          2H2       OCT   2   7.915   9.401   3.317
  348   1H3   OCT   2          1H3       OCT   2   9.949  10.380   3.121
  349   2H3   OCT   2          2H3       OCT   2   9.410  11.481   4.390
  350   1H4   OCT   2          1H4       OCT   2   8.859  11.963   1.451
  351   2H4   OCT   2          2H4       OCT   2  10.285  12.598   2.274
  352   1H5   OCT   2          1H5       OCT   2   9.016  14.014   3.644
  353   2H5   OCT   2          2H5       OCT   2   7.547  13.063   3.431
  354   1H6   OCT   2          1H6       OCT   2   8.015  13.788   0.859
  355   2H6   OCT   2          2H6       OCT   2   8.704  15.179   1.700
  356   1H7   OCT   2          1H7       OCT   2   5.917  14.067   2.162
  357   2H7   OCT   2          2H7       OCT   2   6.287  15.493   1.193
  358   1H8   OCT   2          1H8       OCT   2   7.603  16.109   3.492
  359   2H8   OCT   2          2H8       OCT   2   6.271  15.155   4.139
  360   3H8   OCT   2          3H8       OCT   2   5.938  16.588   3.170
  Start of MODEL   13
    1    H    PHE   5           H        PHE   5  10.834 -11.005  -2.840
    2    HA   PHE   5           HA       PHE   5   8.442 -10.237  -1.250
    3   1HB   PHE   5          1HB       PHE   5  10.688  -8.757  -2.645
    4   2HB   PHE   5          2HB       PHE   5   9.343  -7.927  -1.859
    5    HD1  PHE   5           HD1      PHE   5  12.358  -9.967  -1.345
    6    HD2  PHE   5           HD2      PHE   5   9.045  -8.020   0.575
    7    HE1  PHE   5           HE1      PHE   5  13.483 -10.217   0.852
    8    HE2  PHE   5           HE2      PHE   5  10.170  -8.271   2.770
    9    HZ   PHE   5           HZ       PHE   5  12.389  -9.369   2.909
   10    H    GLU   6           H        GLU   6   6.685 -10.885  -2.584
   11    HA   GLU   6           HA       GLU   6   6.088  -9.127  -4.841
   12   1HB   GLU   6          1HB       GLU   6   7.508 -11.575  -5.237
   13   2HB   GLU   6          2HB       GLU   6   5.889 -11.780  -5.905
   14   1HG   GLU   6          1HG       GLU   6   6.191 -10.138  -7.499
   15   2HG   GLU   6          2HG       GLU   6   7.308  -9.219  -6.492
   16    H    ILE   7           H        ILE   7   3.861  -9.000  -5.070
   17    HA   ILE   7           HA       ILE   7   2.152 -10.384  -3.183
   18    HB   ILE   7           HB       ILE   7   1.622  -8.677  -5.637
   19   1HG1  ILE   7          1HG1      ILE   7   2.905  -7.566  -3.835
   20   2HG1  ILE   7          2HG1      ILE   7   1.284  -6.887  -3.974
   21   1HG2  ILE   7          1HG2      ILE   7  -0.294 -10.177  -4.858
   22   2HG2  ILE   7          2HG2      ILE   7  -0.635  -8.447  -4.874
   23   3HG2  ILE   7          3HG2      ILE   7  -0.275  -9.259  -3.351
   24   1HD1  ILE   7          1HD1      ILE   7   0.572  -8.509  -2.150
   25   2HD1  ILE   7          2HD1      ILE   7   1.682  -7.239  -1.630
   26   3HD1  ILE   7          3HD1      ILE   7   2.282  -8.873  -1.917
   27    HA   PRO   8           HA       PRO   8   1.325 -13.970  -5.636
   28   1HB   PRO   8          1HB       PRO   8  -1.031 -14.752  -4.483
   29   2HB   PRO   8          2HB       PRO   8   0.546 -14.972  -3.704
   30   1HG   PRO   8          1HG       PRO   8  -1.531 -12.888  -3.236
   31   2HG   PRO   8          2HG       PRO   8  -0.498 -13.730  -2.072
   32   1HD   PRO   8          1HD       PRO   8  -0.030 -11.186  -2.959
   33   2HD   PRO   8          2HD       PRO   8   1.248 -12.280  -2.390
   34    H    ASP   9           H        ASP   9  -1.118 -14.906  -6.500
   35    HA   ASP   9           HA       ASP   9  -2.375 -12.589  -7.930
   36   1HB   ASP   9          1HB       ASP   9  -0.614 -14.389  -9.019
   37   2HB   ASP   9          2HB       ASP   9  -2.159 -15.164  -9.366
   38    H    ASP  10           H        ASP  10  -3.118 -14.486  -5.586
   39    HA   ASP  10           HA       ASP  10  -5.656 -15.572  -6.759
   40   1HB   ASP  10          1HB       ASP  10  -3.962 -16.336  -4.365
   41   2HB   ASP  10          2HB       ASP  10  -5.546 -17.038  -4.687
   42    H    VAL  11           H        VAL  11  -4.251 -13.684  -4.105
   43    HA   VAL  11           HA       VAL  11  -6.980 -12.597  -3.536
   44    HB   VAL  11           HB       VAL  11  -6.476 -14.342  -1.903
   45   1HG1  VAL  11          1HG1      VAL  11  -3.816 -13.354  -2.235
   46   2HG1  VAL  11          2HG1      VAL  11  -4.345 -14.762  -1.314
   47   3HG1  VAL  11          3HG1      VAL  11  -4.247 -13.183  -0.533
   48   1HG2  VAL  11          1HG2      VAL  11  -6.011 -11.584  -0.729
   49   2HG2  VAL  11          2HG2      VAL  11  -6.570 -13.002   0.159
   50   3HG2  VAL  11          3HG2      VAL  11  -7.589 -12.285  -1.089
   51    HA   PRO  12           HA       PRO  12  -4.095  -9.113  -4.095
   52   1HB   PRO  12          1HB       PRO  12  -6.033  -7.309  -4.810
   53   2HB   PRO  12          2HB       PRO  12  -5.305  -8.450  -5.955
   54   1HG   PRO  12          1HG       PRO  12  -7.904  -8.600  -4.507
   55   2HG   PRO  12          2HG       PRO  12  -7.525  -9.017  -6.184
   56   1HD   PRO  12          1HD       PRO  12  -7.793 -10.871  -4.208
   57   2HD   PRO  12          2HD       PRO  12  -6.735 -11.101  -5.617
   58    H    LEU  13           H        LEU  13  -5.088  -6.559  -3.359
   59    HA   LEU  13           HA       LEU  13  -4.752  -6.453  -0.581
   60   1HB   LEU  13          1HB       LEU  13  -5.862  -4.758  -2.747
   61   2HB   LEU  13          2HB       LEU  13  -6.319  -4.286  -1.114
   62    HG   LEU  13           HG       LEU  13  -4.217  -3.179  -1.904
   63   1HD1  LEU  13          1HD1      LEU  13  -2.955  -3.559   0.125
   64   2HD1  LEU  13          2HD1      LEU  13  -3.736  -5.120   0.370
   65   3HD1  LEU  13          3HD1      LEU  13  -4.670  -3.631   0.519
   66   1HD2  LEU  13          1HD2      LEU  13  -3.304  -6.052  -2.063
   67   2HD2  LEU  13          2HD2      LEU  13  -2.162  -4.727  -1.875
   68   3HD2  LEU  13          3HD2      LEU  13  -3.199  -4.799  -3.298
   69    HA   PRO  14           HA       PRO  14  -8.670  -7.540   1.087
   70   1HB   PRO  14          1HB       PRO  14  -9.040  -5.742   3.116
   71   2HB   PRO  14          2HB       PRO  14  -7.837  -7.038   3.171
   72   1HG   PRO  14          1HG       PRO  14  -7.468  -4.157   2.812
   73   2HG   PRO  14          2HG       PRO  14  -6.323  -5.375   3.372
   74   1HD   PRO  14          1HD       PRO  14  -6.494  -4.184   0.789
   75   2HD   PRO  14          2HD       PRO  14  -5.380  -5.457   1.324
   76    H    ALA  15           H        ALA  15 -10.955  -6.708   1.658
   77    HA   ALA  15           HA       ALA  15 -12.022  -5.203  -0.542
   78   1HB   ALA  15          1HB       ALA  15 -14.117  -5.445   0.734
   79   2HB   ALA  15          2HB       ALA  15 -13.195  -5.877   2.175
   80   3HB   ALA  15          3HB       ALA  15 -13.198  -6.950   0.776
   81    H    GLY  16           H        GLY  16 -12.938  -3.075  -0.533
   82   1HA   GLY  16          1HA       GLY  16 -12.936  -0.788  -0.011
   83   2HA   GLY  16          2HA       GLY  16 -13.080  -1.312   1.666
   84    H    TRP  17           H        TRP  17 -10.439  -1.640  -0.737
   85    HA   TRP  17           HA       TRP  17  -8.712   0.045   1.005
   86   1HB   TRP  17          1HB       TRP  17  -8.650  -2.882   0.712
   87   2HB   TRP  17          2HB       TRP  17  -7.095  -2.117   0.408
   88    HD1  TRP  17           HD1      TRP  17  -9.694  -2.622   3.163
   89    HE1  TRP  17           HE1      TRP  17  -8.620  -1.988   5.421
   90    HE3  TRP  17           HE3      TRP  17  -5.293  -0.661   1.515
   91    HZ2  TRP  17           HZ2      TRP  17  -6.198  -0.803   6.396
   92    HZ3  TRP  17           HZ3      TRP  17  -3.616   0.212   3.114
   93    HH2  TRP  17           HH2      TRP  17  -4.063   0.145   5.552
   94    H    GLU  18           H        GLU  18  -8.516   1.548  -0.763
   95    HA   GLU  18           HA       GLU  18  -7.753   0.670  -3.441
   96   1HB   GLU  18          1HB       GLU  18  -8.936   2.858  -2.591
   97   2HB   GLU  18          2HB       GLU  18  -7.293   3.421  -2.278
   98   1HG   GLU  18          1HG       GLU  18  -6.994   3.891  -4.448
   99   2HG   GLU  18          2HG       GLU  18  -7.386   2.227  -4.888
  100    H    MET  19           H        MET  19  -5.592   1.931  -4.252
  101    HA   MET  19           HA       MET  19  -3.442   1.723  -2.227
  102   1HB   MET  19          1HB       MET  19  -2.156   0.283  -3.848
  103   2HB   MET  19          2HB       MET  19  -3.531  -0.509  -3.094
  104   1HG   MET  19          1HG       MET  19  -3.989   0.935  -5.677
  105   2HG   MET  19          2HG       MET  19  -3.134  -0.606  -5.743
  106   1HE   MET  19          1HE       MET  19  -5.133  -2.762  -3.537
  107   2HE   MET  19          2HE       MET  19  -3.631  -2.374  -4.367
  108   3HE   MET  19          3HE       MET  19  -4.910  -3.219  -5.229
  109    H    ALA  20           H        ALA  20  -1.484   2.766  -2.956
  110    HA   ALA  20           HA       ALA  20  -1.529   4.192  -5.526
  111   1HB   ALA  20          1HB       ALA  20  -2.336   5.311  -2.903
  112   2HB   ALA  20          2HB       ALA  20  -2.781   5.830  -4.529
  113   3HB   ALA  20          3HB       ALA  20  -1.234   6.323  -3.840
  114    H    LYS  21           H        LYS  21   0.579   4.653  -6.144
  115    HA   LYS  21           HA       LYS  21   2.720   3.907  -4.201
  116   1HB   LYS  21          1HB       LYS  21   4.040   3.623  -6.324
  117   2HB   LYS  21          2HB       LYS  21   2.595   2.619  -6.264
  118   1HG   LYS  21          1HG       LYS  21   1.424   4.021  -7.773
  119   2HG   LYS  21          2HG       LYS  21   2.558   5.352  -7.547
  120   1HD   LYS  21          1HD       LYS  21   4.108   4.457  -8.983
  121   2HD   LYS  21          2HD       LYS  21   3.695   2.796  -8.559
  122   1HE   LYS  21          1HE       LYS  21   2.705   2.827 -10.644
  123   2HE   LYS  21          2HE       LYS  21   1.373   3.595  -9.759
  124   1HZ   LYS  21          1HZ       LYS  21   2.243   4.876 -11.734
  125   2HZ   LYS  21          2HZ       LYS  21   3.679   5.112 -10.855
  126   3HZ   LYS  21          3HZ       LYS  21   2.209   5.733 -10.270
  127    H    THR  22           H        THR  22   4.333   5.373  -3.656
  128    HA   THR  22           HA       THR  22   4.190   8.075  -4.977
  129    HB   THR  22           HB       THR  22   3.178   8.146  -2.771
  130    HG1  THR  22           HG1      THR  22   4.221   9.931  -2.548
  131   1HG2  THR  22          1HG2      THR  22   5.746   6.853  -1.816
  132   2HG2  THR  22          2HG2      THR  22   4.155   6.093  -1.859
  133   3HG2  THR  22          3HG2      THR  22   4.459   7.444  -0.767
  134    H    SER  23           H        SER  23   6.204   9.118  -5.314
  135    HA   SER  23           HA       SER  23   8.525   9.184  -5.776
  136   1HB   SER  23          1HB       SER  23   8.120   8.011  -3.059
  137   2HB   SER  23          2HB       SER  23   9.749   7.946  -3.731
  138    HG   SER  23           HG       SER  23   8.212  10.129  -2.966
  139    H    SER  24           H        SER  24   8.616   7.832  -7.646
  140    HA   SER  24           HA       SER  24   9.337   5.967  -8.903
  141   1HB   SER  24          1HB       SER  24  10.769   5.994  -6.412
  142   2HB   SER  24          2HB       SER  24  10.399   4.319  -6.822
  143    HG   SER  24           HG       SER  24  12.382   5.357  -7.738
  144    H    GLY  25           H        GLY  25   8.724   4.314  -5.828
  145   1HA   GLY  25          1HA       GLY  25   6.259   3.124  -7.005
  146   2HA   GLY  25          2HA       GLY  25   7.466   2.066  -6.275
  147    H    GLN  26           H        GLN  26   7.783   2.172  -3.970
  148    HA   GLN  26           HA       GLN  26   6.933   2.334  -1.759
  149   1HB   GLN  26          1HB       GLN  26   7.575   4.769  -2.702
  150   2HB   GLN  26          2HB       GLN  26   5.846   5.024  -2.477
  151   1HG   GLN  26          1HG       GLN  26   6.559   5.581  -0.357
  152   2HG   GLN  26          2HG       GLN  26   6.380   3.841  -0.130
  153   1HE2  GLN  26          1HE2      GLN  26   8.767   3.201  -1.815
  154   2HE2  GLN  26          2HE2      GLN  26  10.119   3.634  -0.884
  155    H    ARG  27           H        ARG  27   5.281   0.719  -2.596
  156    HA   ARG  27           HA       ARG  27   2.663   1.613  -3.426
  157   1HB   ARG  27          1HB       ARG  27   4.160  -0.835  -2.987
  158   2HB   ARG  27          2HB       ARG  27   2.512  -0.991  -2.384
  159   1HG   ARG  27          1HG       ARG  27   2.038   0.278  -4.720
  160   2HG   ARG  27          2HG       ARG  27   3.483  -0.630  -5.162
  161   1HD   ARG  27          1HD       ARG  27   1.793  -2.376  -3.659
  162   2HD   ARG  27          2HD       ARG  27   0.804  -1.611  -4.916
  163    HE   ARG  27           HE       ARG  27   3.411  -2.436  -5.912
  164   1HH1  ARG  27          1HH1      ARG  27   0.183  -3.507  -5.169
  165   2HH1  ARG  27          2HH1      ARG  27   0.240  -4.816  -6.298
  166   1HH2  ARG  27          1HH2      ARG  27   3.460  -4.142  -7.371
  167   2HH2  ARG  27          2HH2      ARG  27   2.080  -5.175  -7.536
  168    H    TYR  28           H        TYR  28   1.904   3.076  -1.773
  169    HA   TYR  28           HA       TYR  28   1.486   1.853   0.904
  170   1HB   TYR  28          1HB       TYR  28   1.271   4.077   1.695
  171   2HB   TYR  28          2HB       TYR  28   2.481   4.227   0.425
  172    HD1  TYR  28           HD1      TYR  28   2.095   5.578  -1.486
  173    HD2  TYR  28           HD2      TYR  28  -1.142   4.612   1.160
  174    HE1  TYR  28           HE1      TYR  28   0.644   7.191  -2.674
  175    HE2  TYR  28           HE2      TYR  28  -2.590   6.225  -0.021
  176    HH   TYR  28           HH       TYR  28  -1.857   8.549  -1.603
  177    H    PHE  29           H        PHE  29  -0.425   0.956   1.335
  178    HA   PHE  29           HA       PHE  29  -2.508   1.115  -0.688
  179   1HB   PHE  29          1HB       PHE  29  -1.997  -0.462   1.814
  180   2HB   PHE  29          2HB       PHE  29  -3.487  -0.646   0.876
  181    HD1  PHE  29           HD1      PHE  29  -3.450  -1.482  -1.395
  182    HD2  PHE  29           HD2      PHE  29   0.196  -0.992   0.811
  183    HE1  PHE  29           HE1      PHE  29  -2.234  -2.758  -3.128
  184    HE2  PHE  29           HE2      PHE  29   1.412  -2.276  -0.920
  185    HZ   PHE  29           HZ       PHE  29   0.195  -3.157  -2.895
  186    H    LEU  30           H        LEU  30  -4.373   2.078  -0.586
  187    HA   LEU  30           HA       LEU  30  -4.869   4.090   1.497
  188   1HB   LEU  30          1HB       LEU  30  -5.694   3.373  -1.281
  189   2HB   LEU  30          2HB       LEU  30  -6.753   4.451  -0.358
  190    HG   LEU  30           HG       LEU  30  -3.780   4.876  -0.754
  191   1HD1  LEU  30          1HD1      LEU  30  -5.289   5.011  -2.840
  192   2HD1  LEU  30          2HD1      LEU  30  -4.293   6.422  -2.481
  193   3HD1  LEU  30          3HD1      LEU  30  -6.010   6.428  -2.078
  194   1HD2  LEU  30          1HD2      LEU  30  -6.026   6.560   0.402
  195   2HD2  LEU  30          2HD2      LEU  30  -4.440   7.216  -0.005
  196   3HD2  LEU  30          3HD2      LEU  30  -4.588   5.979   1.241
  197    H    ASN  31           H        ASN  31  -5.911   3.194   3.288
  198    HA   ASN  31           HA       ASN  31  -7.853   1.034   3.082
  199   1HB   ASN  31          1HB       ASN  31  -6.306   1.661   5.025
  200   2HB   ASN  31          2HB       ASN  31  -7.410   2.995   5.349
  201   1HD2  ASN  31          1HD2      ASN  31  -7.397   1.381   7.446
  202   2HD2  ASN  31          2HD2      ASN  31  -8.695   0.286   7.465
  203    H    HIS  32           H        HIS  32  -9.888   1.386   2.276
  204    HA   HIS  32           HA       HIS  32 -11.043   4.090   2.186
  205   1HB   HIS  32          1HB       HIS  32 -11.263   1.590   0.825
  206   2HB   HIS  32          2HB       HIS  32 -12.861   1.992   1.453
  207    HD1  HIS  32           HD1      HIS  32 -14.078   3.988   0.419
  208    HD2  HIS  32           HD2      HIS  32 -10.187   3.548  -1.014
  209    HE1  HIS  32           HE1      HIS  32 -13.850   5.581  -1.537
  210    H    ILE  33           H        ILE  33 -11.978   0.945   3.637
  211    HA   ILE  33           HA       ILE  33 -14.276   1.778   5.037
  212    HB   ILE  33           HB       ILE  33 -13.674  -0.159   6.533
  213   1HG1  ILE  33          1HG1      ILE  33 -11.301  -0.746   4.842
  214   2HG1  ILE  33          2HG1      ILE  33 -11.098   0.529   6.043
  215   1HG2  ILE  33          1HG2      ILE  33 -14.668  -1.258   4.837
  216   2HG2  ILE  33          2HG2      ILE  33 -13.063  -1.545   4.167
  217   3HG2  ILE  33          3HG2      ILE  33 -13.995  -0.141   3.650
  218   1HD1  ILE  33          1HD1      ILE  33 -11.235  -2.341   6.434
  219   2HD1  ILE  33          2HD1      ILE  33 -12.489  -1.525   7.371
  220   3HD1  ILE  33          3HD1      ILE  33 -10.795  -1.082   7.590
  221    H    ASP  34           H        ASP  34 -10.918   2.475   5.666
  222    HA   ASP  34           HA       ASP  34 -11.692   3.799   8.247
  223   1HB   ASP  34          1HB       ASP  34 -10.058   1.706   8.020
  224   2HB   ASP  34          2HB       ASP  34  -8.888   2.961   7.610
  225    H    GLN  35           H        GLN  35 -10.600   4.309   5.060
  226    HA   GLN  35           HA       GLN  35  -9.733   6.208   3.963
  227   1HB   GLN  35          1HB       GLN  35 -10.714   7.515   6.522
  228   2HB   GLN  35          2HB       GLN  35 -10.462   8.318   4.974
  229   1HG   GLN  35          1HG       GLN  35 -12.147   6.001   4.614
  230   2HG   GLN  35          2HG       GLN  35 -12.817   7.041   5.870
  231   1HE2  GLN  35          1HE2      GLN  35 -11.089   7.676   2.754
  232   2HE2  GLN  35          2HE2      GLN  35 -12.239   8.785   2.178
  233    H    THR  36           H        THR  36  -7.564   5.063   4.588
  234    HA   THR  36           HA       THR  36  -5.827   7.112   5.823
  235    HB   THR  36           HB       THR  36  -4.911   5.065   7.267
  236    HG1  THR  36           HG1      THR  36  -6.606   3.716   7.859
  237   1HG2  THR  36          1HG2      THR  36  -7.488   6.315   8.184
  238   2HG2  THR  36          2HG2      THR  36  -6.055   7.312   7.937
  239   3HG2  THR  36          3HG2      THR  36  -6.020   5.994   9.109
  240    H    THR  37           H        THR  37  -3.490   6.525   5.525
  241    HA   THR  37           HA       THR  37  -3.132   4.682   3.182
  242    HB   THR  37           HB       THR  37  -1.332   6.218   2.528
  243    HG1  THR  37           HG1      THR  37  -0.700   6.787   4.650
  244   1HG2  THR  37          1HG2      THR  37  -2.994   7.345   1.519
  245   2HG2  THR  37          2HG2      THR  37  -3.060   8.401   2.930
  246   3HG2  THR  37          3HG2      THR  37  -4.104   6.982   2.841
  247    H    THR  38           H        THR  38  -1.644   3.042   3.426
  248    HA   THR  38           HA       THR  38   0.303   3.200   5.691
  249    HB   THR  38           HB       THR  38  -1.651   1.939   6.449
  250    HG1  THR  38           HG1      THR  38  -0.527   0.248   7.132
  251   1HG2  THR  38          1HG2      THR  38  -2.785   1.223   4.549
  252   2HG2  THR  38          2HG2      THR  38  -2.047  -0.282   5.097
  253   3HG2  THR  38          3HG2      THR  38  -1.317   0.627   3.773
  254    H    TRP  39           H        TRP  39   2.193   1.824   5.335
  255    HA   TRP  39           HA       TRP  39   2.759   1.416   2.451
  256   1HB   TRP  39          1HB       TRP  39   4.552   1.055   4.877
  257   2HB   TRP  39          2HB       TRP  39   5.062   1.289   3.207
  258    HD1  TRP  39           HD1      TRP  39   4.129   3.143   6.306
  259    HE1  TRP  39           HE1      TRP  39   4.181   5.683   5.867
  260    HE3  TRP  39           HE3      TRP  39   4.550   3.151   1.217
  261    HZ2  TRP  39           HZ2      TRP  39   4.374   7.481   3.652
  262    HZ3  TRP  39           HZ3      TRP  39   4.664   5.289  -0.031
  263    HH2  TRP  39           HH2      TRP  39   4.577   7.453   1.179
  264    H    GLN  40           H        GLN  40   4.473  -0.655   2.362
  265    HA   GLN  40           HA       GLN  40   4.516  -3.015   2.210
  266   1HB   GLN  40          1HB       GLN  40   4.050  -2.130   4.934
  267   2HB   GLN  40          2HB       GLN  40   3.311  -3.708   4.663
  268   1HG   GLN  40          1HG       GLN  40   5.325  -4.740   4.472
  269   2HG   GLN  40          2HG       GLN  40   5.994  -3.441   3.485
  270   1HE2  GLN  40          1HE2      GLN  40   7.164  -1.743   4.566
  271   2HE2  GLN  40          2HE2      GLN  40   7.518  -1.791   6.226
  272    H    ASP  41           H        ASP  41   2.700  -4.916   3.263
  273    HA   ASP  41           HA       ASP  41   0.161  -4.170   1.850
  274   1HB   ASP  41          1HB       ASP  41   1.724  -5.804   0.718
  275   2HB   ASP  41          2HB       ASP  41   1.474  -6.894   2.082
  276    HA   PRO  42           HA       PRO  42  -1.691  -5.133   5.768
  277   1HB   PRO  42          1HB       PRO  42  -4.291  -5.344   4.944
  278   2HB   PRO  42          2HB       PRO  42  -3.460  -3.788   5.140
  279   1HG   PRO  42          1HG       PRO  42  -3.993  -5.363   2.665
  280   2HG   PRO  42          2HG       PRO  42  -4.078  -3.615   2.925
  281   1HD   PRO  42          1HD       PRO  42  -1.984  -4.854   1.696
  282   2HD   PRO  42          2HD       PRO  42  -1.822  -3.336   2.605
  283    H    ARG  43           H        ARG  43  -1.466  -7.248   3.121
  284    HA   ARG  43           HA       ARG  43  -2.817  -9.468   4.608
  285   1HB   ARG  43          1HB       ARG  43  -1.946  -9.252   1.710
  286   2HB   ARG  43          2HB       ARG  43  -2.967 -10.511   2.402
  287   1HG   ARG  43          1HG       ARG  43  -4.669  -8.809   2.974
  288   2HG   ARG  43          2HG       ARG  43  -3.651  -7.558   2.267
  289   1HD   ARG  43          1HD       ARG  43  -4.855  -9.920   0.776
  290   2HD   ARG  43          2HD       ARG  43  -5.352  -8.231   0.638
  291    HE   ARG  43           HE       ARG  43  -3.286  -7.729  -0.480
  292   1HH1  ARG  43          1HH1      ARG  43  -3.420 -11.044   0.594
  293   2HH1  ARG  43          2HH1      ARG  43  -2.143 -11.542  -0.453
  294   1HH2  ARG  43          1HH2      ARG  43  -1.625  -8.410  -1.815
  295   2HH2  ARG  43          2HH2      ARG  43  -1.130 -10.070  -1.800
  296    H    LYS  44           H        LYS  44   0.101  -8.754   2.654
  297    HA   LYS  44           HA       LYS  44   1.525 -11.145   3.050
  298   1HB   LYS  44          1HB       LYS  44   1.937  -8.769   1.822
  299   2HB   LYS  44          2HB       LYS  44   3.006  -8.569   3.211
  300   1HG   LYS  44          1HG       LYS  44   3.836 -10.972   2.604
  301   2HG   LYS  44          2HG       LYS  44   3.114 -10.640   1.030
  302   1HD   LYS  44          1HD       LYS  44   5.019  -9.557   0.494
  303   2HD   LYS  44          2HD       LYS  44   4.549  -8.315   1.657
  304   1HE   LYS  44          1HE       LYS  44   6.758  -9.049   2.299
  305   2HE   LYS  44          2HE       LYS  44   5.639  -9.798   3.455
  306   1HZ   LYS  44          1HZ       LYS  44   6.675 -11.042   0.955
  307   2HZ   LYS  44          2HZ       LYS  44   5.551 -11.756   2.010
  308   3HZ   LYS  44          3HZ       LYS  44   7.141 -11.457   2.532
  309    H    GLY   3           H        GLY   3   4.222  12.820   5.621
  310   1HA   GLY   3          1HA       GLY   3   5.582  10.736   6.952
  311   2HA   GLY   3          2HA       GLY   3   4.108  11.042   7.871
  312    HA   PRO   4           HA       PRO   4   2.121   8.365   4.990
  313   1HB   PRO   4          1HB       PRO   4  -0.481   9.026   5.523
  314   2HB   PRO   4          2HB       PRO   4   0.503   8.025   6.606
  315   1HG   PRO   4          1HG       PRO   4  -0.185  10.918   6.794
  316   2HG   PRO   4          2HG       PRO   4  -0.064   9.703   8.075
  317   1HD   PRO   4          1HD       PRO   4   1.880  11.552   7.546
  318   2HD   PRO   4          2HD       PRO   4   2.203   9.966   8.278
  319    HA   PRO   5           HA       PRO   5   1.418  11.010   1.514
  320   1HB   PRO   5          1HB       PRO   5   0.231   9.214  -0.176
  321   2HB   PRO   5          2HB       PRO   5   1.970   9.210   0.174
  322   1HG   PRO   5          1HG       PRO   5  -0.197   7.484   1.269
  323   2HG   PRO   5          2HG       PRO   5   1.463   7.063   0.826
  324   1HD   PRO   5          1HD       PRO   5   0.627   7.467   3.400
  325   2HD   PRO   5          2HD       PRO   5   2.299   7.715   2.853
  326    HA   PRO   6           HA       PRO   6  -2.774  12.342   1.784
  327   1HB   PRO   6          1HB       PRO   6  -3.228  13.356  -0.718
  328   2HB   PRO   6          2HB       PRO   6  -2.205  14.167   0.483
  329   1HG   PRO   6          1HG       PRO   6  -1.429  12.494  -1.857
  330   2HG   PRO   6          2HG       PRO   6  -0.675  13.965  -1.223
  331   1HD   PRO   6          1HD       PRO   6   0.290  11.446  -0.776
  332   2HD   PRO   6          2HD       PRO   6   0.553  12.811   0.328
  333    H    TYR   7           H        TYR   7  -4.924  11.664   1.244
  334    HA   TYR   7           HA       TYR   7  -5.091   9.048  -0.098
  335   1HB   TYR   7          1HB       TYR   7  -6.246   9.987   2.076
  336   2HB   TYR   7          2HB       TYR   7  -7.412  10.656   0.935
  337    HD1  TYR   7           HD1      TYR   7  -7.877   8.788  -1.094
  338    HD2  TYR   7           HD2      TYR   7  -6.950   7.983   3.023
  339    HE1  TYR   7           HE1      TYR   7  -8.968   6.570  -1.281
  340    HE2  TYR   7           HE2      TYR   7  -8.043   5.765   2.834
  341    HH   TYR   7           HH       TYR   7  -8.614   4.142   1.084
  342   1HN   NH2   8          1HN       NH2   8  -4.959   9.370  -2.400
  343   2HN   NH2   8          2HN       NH2   8  -6.044  10.346  -3.266
  344   1H1   OCT   2          1H1       OCT   2   5.942  13.036   8.061
  345   2H1   OCT   2          2H1       OCT   2   5.687  14.336   6.881
  346   1H2   OCT   2          1H2       OCT   2   6.641  12.502   5.197
  347   2H2   OCT   2          2H2       OCT   2   7.391  11.872   6.664
  348   1H3   OCT   2          1H3       OCT   2   8.993  13.442   6.469
  349   2H3   OCT   2          2H3       OCT   2   7.762  14.685   6.699
  350   1H4   OCT   2          1H4       OCT   2   7.286  14.156   4.123
  351   2H4   OCT   2          2H4       OCT   2   8.976  13.651   4.171
  352   1H5   OCT   2          1H5       OCT   2   9.739  15.790   4.657
  353   2H5   OCT   2          2H5       OCT   2   8.225  16.269   5.423
  354   1H6   OCT   2          1H6       OCT   2   7.980  17.406   3.435
  355   2H6   OCT   2          2H6       OCT   2   7.309  15.853   2.931
  356   1H7   OCT   2          1H7       OCT   2   9.004  15.508   1.479
  357   2H7   OCT   2          2H7       OCT   2  10.214  15.890   2.707
  358   1H8   OCT   2          1H8       OCT   2   9.210  18.370   2.222
  359   2H8   OCT   2          2H8       OCT   2   9.000  17.630   0.635
  360   3H8   OCT   2          3H8       OCT   2  10.602  17.703   1.370
  Start of MODEL   14
    1    H    PHE   5           H        PHE   5  13.715  -2.385  -8.808
    2    HA   PHE   5           HA       PHE   5  12.788  -2.958  -6.073
    3   1HB   PHE   5          1HB       PHE   5  10.605  -1.844  -6.456
    4   2HB   PHE   5          2HB       PHE   5  11.935  -0.688  -6.534
    5    HD1  PHE   5           HD1      PHE   5   9.513  -2.647  -8.539
    6    HD2  PHE   5           HD2      PHE   5  12.534   0.407  -8.598
    7    HE1  PHE   5           HE1      PHE   5   8.840  -2.025 -10.844
    8    HE2  PHE   5           HE2      PHE   5  11.862   1.027 -10.902
    9    HZ   PHE   5           HZ       PHE   5  10.015  -0.188 -12.026
   10    H    GLU   6           H        GLU   6  10.502  -4.146  -6.354
   11    HA   GLU   6           HA       GLU   6   9.943  -5.448  -8.872
   12   1HB   GLU   6          1HB       GLU   6  12.119  -6.466  -8.400
   13   2HB   GLU   6          2HB       GLU   6  11.581  -6.928  -6.785
   14   1HG   GLU   6          1HG       GLU   6   9.987  -8.483  -7.663
   15   2HG   GLU   6          2HG       GLU   6  10.173  -7.854  -9.300
   16    H    ILE   7           H        ILE   7   7.803  -5.967  -8.664
   17    HA   ILE   7           HA       ILE   7   6.816  -6.847  -5.970
   18    HB   ILE   7           HB       ILE   7   6.183  -4.531  -6.515
   19   1HG1  ILE   7          1HG1      ILE   7   3.585  -5.037  -6.744
   20   2HG1  ILE   7          2HG1      ILE   7   4.112  -6.699  -6.485
   21   1HG2  ILE   7          1HG2      ILE   7   4.361  -5.002  -8.676
   22   2HG2  ILE   7          2HG2      ILE   7   5.946  -5.624  -9.140
   23   3HG2  ILE   7          3HG2      ILE   7   5.768  -3.941  -8.645
   24   1HD1  ILE   7          1HD1      ILE   7   5.273  -6.013  -4.417
   25   2HD1  ILE   7          2HD1      ILE   7   3.559  -5.604  -4.341
   26   3HD1  ILE   7          3HD1      ILE   7   4.750  -4.348  -4.675
   27    HA   PRO   8           HA       PRO   8   5.350 -10.330  -8.286
   28   1HB   PRO   8          1HB       PRO   8   3.555 -11.313  -6.469
   29   2HB   PRO   8          2HB       PRO   8   5.309 -11.496  -6.290
   30   1HG   PRO   8          1HG       PRO   8   3.455  -9.564  -4.983
   31   2HG   PRO   8          2HG       PRO   8   4.848 -10.421  -4.309
   32   1HD   PRO   8          1HD       PRO   8   4.912  -7.804  -5.095
   33   2HD   PRO   8          2HD       PRO   8   6.338  -8.862  -5.084
   34    H    ASP   9           H        ASP   9   3.779 -10.427  -9.862
   35    HA   ASP   9           HA       ASP   9   1.587  -8.478  -9.848
   36   1HB   ASP   9          1HB       ASP   9   2.703 -10.573 -11.703
   37   2HB   ASP   9          2HB       ASP   9   1.156  -9.806 -12.065
   38    H    ASP  10           H        ASP  10   1.983 -11.944  -9.310
   39    HA   ASP  10           HA       ASP  10  -0.893 -12.511  -9.380
   40   1HB   ASP  10          1HB       ASP  10   1.473 -13.921  -9.637
   41   2HB   ASP  10          2HB       ASP  10   0.913 -14.402  -8.035
   42    H    VAL  11           H        VAL  11  -1.030 -10.559  -7.670
   43    HA   VAL  11           HA       VAL  11  -1.474 -11.839  -5.046
   44    HB   VAL  11           HB       VAL  11   0.886 -11.182  -4.991
   45   1HG1  VAL  11          1HG1      VAL  11   1.676  -9.073  -5.606
   46   2HG1  VAL  11          2HG1      VAL  11   0.110  -8.302  -5.352
   47   3HG1  VAL  11          3HG1      VAL  11   0.376  -9.310  -6.774
   48   1HG2  VAL  11          1HG2      VAL  11   0.409 -10.713  -2.837
   49   2HG2  VAL  11          2HG2      VAL  11  -1.168 -10.055  -3.274
   50   3HG2  VAL  11          3HG2      VAL  11   0.260  -9.021  -3.315
   51    HA   PRO  12           HA       PRO  12  -4.682  -8.744  -5.944
   52   1HB   PRO  12          1HB       PRO  12  -6.577  -9.874  -4.315
   53   2HB   PRO  12          2HB       PRO  12  -6.255 -10.444  -5.962
   54   1HG   PRO  12          1HG       PRO  12  -5.326 -11.538  -3.350
   55   2HG   PRO  12          2HG       PRO  12  -5.900 -12.394  -4.788
   56   1HD   PRO  12          1HD       PRO  12  -3.265 -12.143  -4.153
   57   2HD   PRO  12          2HD       PRO  12  -3.850 -12.281  -5.824
   58    H    LEU  13           H        LEU  13  -6.410  -8.074  -3.780
   59    HA   LEU  13           HA       LEU  13  -4.586  -7.339  -1.537
   60   1HB   LEU  13          1HB       LEU  13  -5.451  -5.668  -3.696
   61   2HB   LEU  13          2HB       LEU  13  -6.229  -5.099  -2.218
   62    HG   LEU  13           HG       LEU  13  -3.666  -5.611  -1.356
   63   1HD1  LEU  13          1HD1      LEU  13  -3.106  -4.037  -3.795
   64   2HD1  LEU  13          2HD1      LEU  13  -3.401  -5.755  -4.068
   65   3HD1  LEU  13          3HD1      LEU  13  -2.110  -5.243  -2.980
   66   1HD2  LEU  13          1HD2      LEU  13  -3.994  -3.489  -0.680
   67   2HD2  LEU  13          2HD2      LEU  13  -5.401  -3.394  -1.739
   68   3HD2  LEU  13          3HD2      LEU  13  -3.816  -2.917  -2.336
   69    HA   PRO  14           HA       PRO  14  -8.326  -7.653   0.790
   70   1HB   PRO  14          1HB       PRO  14  -8.246  -5.549   2.538
   71   2HB   PRO  14          2HB       PRO  14  -7.149  -6.935   2.635
   72   1HG   PRO  14          1HG       PRO  14  -6.605  -4.186   1.812
   73   2HG   PRO  14          2HG       PRO  14  -5.485  -5.445   2.327
   74   1HD   PRO  14          1HD       PRO  14  -6.088  -4.562  -0.340
   75   2HD   PRO  14          2HD       PRO  14  -4.904  -5.782   0.172
   76    H    ALA  15           H        ALA  15 -10.528  -6.870   1.105
   77    HA   ALA  15           HA       ALA  15 -11.504  -5.160  -1.018
   78   1HB   ALA  15          1HB       ALA  15 -12.656  -7.127   0.065
   79   2HB   ALA  15          2HB       ALA  15 -13.658  -5.677  -0.020
   80   3HB   ALA  15          3HB       ALA  15 -12.887  -6.129   1.501
   81    H    GLY  16           H        GLY  16 -12.648  -3.112  -0.715
   82   1HA   GLY  16          1HA       GLY  16 -12.812  -0.926   0.130
   83   2HA   GLY  16          2HA       GLY  16 -12.809  -1.675   1.727
   84    H    TRP  17           H        TRP  17 -10.210  -1.887  -0.671
   85    HA   TRP  17           HA       TRP  17  -8.522  -0.115   1.047
   86   1HB   TRP  17          1HB       TRP  17  -8.367  -3.016   0.561
   87   2HB   TRP  17          2HB       TRP  17  -6.844  -2.170   0.309
   88    HD1  TRP  17           HD1      TRP  17  -9.490  -2.802   3.020
   89    HE1  TRP  17           HE1      TRP  17  -8.401  -2.391   5.321
   90    HE3  TRP  17           HE3      TRP  17  -4.969  -0.987   1.532
   91    HZ2  TRP  17           HZ2      TRP  17  -5.925  -1.420   6.386
   92    HZ3  TRP  17           HZ3      TRP  17  -3.263  -0.325   3.200
   93    HH2  TRP  17           HH2      TRP  17  -3.734  -0.538   5.624
   94    H    GLU  18           H        GLU  18  -8.275   1.493  -0.566
   95    HA   GLU  18           HA       GLU  18  -7.645   0.783  -3.349
   96   1HB   GLU  18          1HB       GLU  18  -8.872   2.875  -2.255
   97   2HB   GLU  18          2HB       GLU  18  -7.232   3.493  -2.083
   98   1HG   GLU  18          1HG       GLU  18  -8.318   4.244  -4.192
   99   2HG   GLU  18          2HG       GLU  18  -6.856   3.312  -4.481
  100    H    MET  19           H        MET  19  -5.532   2.027  -4.208
  101    HA   MET  19           HA       MET  19  -3.328   1.855  -2.220
  102   1HB   MET  19          1HB       MET  19  -2.041   0.512  -3.854
  103   2HB   MET  19          2HB       MET  19  -3.468  -0.323  -3.266
  104   1HG   MET  19          1HG       MET  19  -3.714   1.352  -5.741
  105   2HG   MET  19          2HG       MET  19  -2.914  -0.213  -5.876
  106   1HE   MET  19          1HE       MET  19  -5.158  -2.832  -5.040
  107   2HE   MET  19          2HE       MET  19  -5.015  -1.993  -3.500
  108   3HE   MET  19          3HE       MET  19  -3.629  -2.072  -4.584
  109    H    ALA  20           H        ALA  20  -1.315   2.858  -3.145
  110    HA   ALA  20           HA       ALA  20  -1.522   4.453  -5.566
  111   1HB   ALA  20          1HB       ALA  20  -2.317   5.472  -2.883
  112   2HB   ALA  20          2HB       ALA  20  -2.907   5.937  -4.479
  113   3HB   ALA  20          3HB       ALA  20  -1.370   6.571  -3.888
  114    H    LYS  21           H        LYS  21   0.520   5.284  -6.124
  115    HA   LYS  21           HA       LYS  21   2.745   4.450  -4.331
  116   1HB   LYS  21          1HB       LYS  21   4.057   4.424  -6.375
  117   2HB   LYS  21          2HB       LYS  21   2.531   3.598  -6.688
  118   1HG   LYS  21          1HG       LYS  21   1.639   5.777  -7.609
  119   2HG   LYS  21          2HG       LYS  21   3.266   6.436  -7.461
  120   1HD   LYS  21          1HD       LYS  21   3.716   4.045  -8.763
  121   2HD   LYS  21          2HD       LYS  21   2.176   4.564  -9.449
  122   1HE   LYS  21          1HE       LYS  21   3.397   6.907  -9.643
  123   2HE   LYS  21          2HE       LYS  21   4.860   5.904  -9.596
  124   1HZ   LYS  21          1HZ       LYS  21   2.584   5.754 -11.490
  125   2HZ   LYS  21          2HZ       LYS  21   3.652   4.450 -11.276
  126   3HZ   LYS  21          3HZ       LYS  21   4.232   5.943 -11.846
  127    H    THR  22           H        THR  22   3.866   6.004  -3.242
  128    HA   THR  22           HA       THR  22   3.530   8.850  -4.114
  129    HB   THR  22           HB       THR  22   2.800   8.294  -1.847
  130    HG1  THR  22           HG1      THR  22   3.895  10.278  -2.159
  131   1HG2  THR  22          1HG2      THR  22   3.977   6.334  -1.290
  132   2HG2  THR  22          2HG2      THR  22   4.691   7.556  -0.236
  133   3HG2  THR  22          3HG2      THR  22   5.537   7.048  -1.697
  134    H    SER  23           H        SER  23   5.486   6.746  -5.172
  135    HA   SER  23           HA       SER  23   7.784   8.455  -5.475
  136   1HB   SER  23          1HB       SER  23   7.594   7.088  -3.027
  137   2HB   SER  23          2HB       SER  23   8.756   6.157  -3.971
  138    HG   SER  23           HG       SER  23  10.100   7.795  -3.984
  139    H    SER  24           H        SER  24   9.702   6.237  -5.675
  140    HA   SER  24           HA       SER  24   9.307   5.364  -8.330
  141   1HB   SER  24          1HB       SER  24  10.752   3.899  -6.099
  142   2HB   SER  24          2HB       SER  24  11.123   3.832  -7.822
  143    HG   SER  24           HG       SER  24  11.952   5.593  -5.989
  144    H    GLY  25           H        GLY  25   9.036   3.235  -5.462
  145   1HA   GLY  25          1HA       GLY  25   6.688   1.929  -6.766
  146   2HA   GLY  25          2HA       GLY  25   7.986   0.948  -6.085
  147    H    GLN  26           H        GLN  26   7.026   3.950  -4.572
  148    HA   GLN  26           HA       GLN  26   6.480   2.601  -2.053
  149   1HB   GLN  26          1HB       GLN  26   6.501   5.379  -3.164
  150   2HB   GLN  26          2HB       GLN  26   5.671   5.108  -1.634
  151   1HG   GLN  26          1HG       GLN  26   8.072   3.692  -1.387
  152   2HG   GLN  26          2HG       GLN  26   8.526   5.200  -2.181
  153   1HE2  GLN  26          1HE2      GLN  26   7.768   3.804   0.855
  154   2HE2  GLN  26          2HE2      GLN  26   7.587   5.244   1.734
  155    H    ARG  27           H        ARG  27   4.738   1.340  -3.590
  156    HA   ARG  27           HA       ARG  27   2.183   2.573  -4.048
  157   1HB   ARG  27          1HB       ARG  27   1.450   0.054  -3.931
  158   2HB   ARG  27          2HB       ARG  27   2.496   0.582  -5.235
  159   1HG   ARG  27          1HG       ARG  27   3.132  -1.593  -4.065
  160   2HG   ARG  27          2HG       ARG  27   4.418  -0.415  -4.243
  161   1HD   ARG  27          1HD       ARG  27   3.928   0.338  -1.866
  162   2HD   ARG  27          2HD       ARG  27   2.811  -1.029  -1.740
  163    HE   ARG  27           HE       ARG  27   5.132  -2.155  -2.756
  164   1HH1  ARG  27          1HH1      ARG  27   4.346  -0.205   0.019
  165   2HH1  ARG  27          2HH1      ARG  27   5.609  -0.880   0.989
  166   1HH2  ARG  27          1HH2      ARG  27   6.763  -3.017  -1.476
  167   2HH2  ARG  27          2HH2      ARG  27   6.967  -2.461   0.151
  168    H    TYR  28           H        TYR  28   2.220   3.685  -1.782
  169    HA   TYR  28           HA       TYR  28   1.676   2.079   0.545
  170   1HB   TYR  28          1HB       TYR  28   1.163   4.194   1.580
  171   2HB   TYR  28          2HB       TYR  28   2.447   4.514   0.417
  172    HD1  TYR  28           HD1      TYR  28   2.045   5.810  -1.580
  173    HD2  TYR  28           HD2      TYR  28  -1.159   4.840   1.102
  174    HE1  TYR  28           HE1      TYR  28   0.584   7.439  -2.736
  175    HE2  TYR  28           HE2      TYR  28  -2.613   6.468  -0.049
  176    HH   TYR  28           HH       TYR  28  -1.655   8.855  -1.846
  177    H    PHE  29           H        PHE  29  -0.189   1.168   1.221
  178    HA   PHE  29           HA       PHE  29  -2.396   1.175  -0.692
  179   1HB   PHE  29          1HB       PHE  29  -1.597  -0.394   1.740
  180   2HB   PHE  29          2HB       PHE  29  -3.166  -0.641   0.952
  181    HD1  PHE  29           HD1      PHE  29   0.423  -1.199   0.718
  182    HD2  PHE  29           HD2      PHE  29  -3.234  -1.067  -1.519
  183    HE1  PHE  29           HE1      PHE  29   1.528  -2.366  -1.168
  184    HE2  PHE  29           HE2      PHE  29  -2.135  -2.240  -3.399
  185    HZ   PHE  29           HZ       PHE  29   0.248  -2.887  -3.228
  186    H    LEU  30           H        LEU  30  -4.174   2.210  -0.539
  187    HA   LEU  30           HA       LEU  30  -4.687   4.108   1.624
  188   1HB   LEU  30          1HB       LEU  30  -5.606   3.431  -1.132
  189   2HB   LEU  30          2HB       LEU  30  -6.656   4.451  -0.143
  190    HG   LEU  30           HG       LEU  30  -3.719   4.981  -0.626
  191   1HD1  LEU  30          1HD1      LEU  30  -4.252   6.316  -2.441
  192   2HD1  LEU  30          2HD1      LEU  30  -5.889   6.628  -1.864
  193   3HD1  LEU  30          3HD1      LEU  30  -5.499   5.080  -2.612
  194   1HD2  LEU  30          1HD2      LEU  30  -4.371   7.256   0.198
  195   2HD2  LEU  30          2HD2      LEU  30  -4.641   6.008   1.412
  196   3HD2  LEU  30          3HD2      LEU  30  -6.000   6.654   0.496
  197    H    ASN  31           H        ASN  31  -5.781   3.373   3.405
  198    HA   ASN  31           HA       ASN  31  -7.521   1.046   3.399
  199   1HB   ASN  31          1HB       ASN  31  -7.182   3.330   5.371
  200   2HB   ASN  31          2HB       ASN  31  -7.903   1.765   5.730
  201   1HD2  ASN  31          1HD2      ASN  31  -6.295   1.071   7.251
  202   2HD2  ASN  31          2HD2      ASN  31  -4.683   0.773   6.810
  203    H    HIS  32           H        HIS  32  -9.457   1.219   2.254
  204    HA   HIS  32           HA       HIS  32 -10.844   3.774   1.949
  205   1HB   HIS  32          1HB       HIS  32 -10.706   1.325   0.645
  206   2HB   HIS  32          2HB       HIS  32 -12.316   1.301   1.365
  207    HD1  HIS  32           HD1      HIS  32 -14.084   2.765   0.303
  208    HD2  HIS  32           HD2      HIS  32 -10.257   3.646  -1.097
  209    HE1  HIS  32           HE1      HIS  32 -14.379   4.403  -1.606
  210    H    ILE  33           H        ILE  33 -11.456   0.736   3.735
  211    HA   ILE  33           HA       ILE  33 -13.943   1.538   4.917
  212    HB   ILE  33           HB       ILE  33 -13.368  -0.340   6.494
  213   1HG1  ILE  33          1HG1      ILE  33 -10.915  -0.942   4.933
  214   2HG1  ILE  33          2HG1      ILE  33 -10.786   0.391   6.080
  215   1HG2  ILE  33          1HG2      ILE  33 -14.382  -1.289   4.675
  216   2HG2  ILE  33          2HG2      ILE  33 -12.768  -1.936   4.389
  217   3HG2  ILE  33          3HG2      ILE  33 -13.303  -0.492   3.530
  218   1HD1  ILE  33          1HD1      ILE  33 -12.191  -1.950   7.166
  219   2HD1  ILE  33          2HD1      ILE  33 -10.883  -0.999   7.870
  220   3HD1  ILE  33          3HD1      ILE  33 -10.519  -2.283   6.719
  221    H    ASP  34           H        ASP  34 -10.631   2.340   5.648
  222    HA   ASP  34           HA       ASP  34 -11.509   3.631   8.211
  223   1HB   ASP  34          1HB       ASP  34  -9.420   1.821   7.545
  224   2HB   ASP  34          2HB       ASP  34  -8.658   3.365   7.928
  225    H    GLN  35           H        GLN  35 -10.596   4.295   5.017
  226    HA   GLN  35           HA       GLN  35  -9.934   6.277   3.926
  227   1HB   GLN  35          1HB       GLN  35 -10.886   7.445   6.561
  228   2HB   GLN  35          2HB       GLN  35 -10.772   8.301   5.023
  229   1HG   GLN  35          1HG       GLN  35 -12.506   5.859   5.504
  230   2HG   GLN  35          2HG       GLN  35 -13.095   7.521   5.529
  231   1HE2  GLN  35          1HE2      GLN  35 -14.060   5.607   3.610
  232   2HE2  GLN  35          2HE2      GLN  35 -13.541   6.095   2.069
  233    H    THR  36           H        THR  36  -7.672   5.180   4.576
  234    HA   THR  36           HA       THR  36  -6.001   7.391   5.606
  235    HB   THR  36           HB       THR  36  -4.960   5.463   7.162
  236    HG1  THR  36           HG1      THR  36  -7.728   4.881   7.135
  237   1HG2  THR  36          1HG2      THR  36  -5.875   6.622   8.936
  238   2HG2  THR  36          2HG2      THR  36  -7.473   6.707   8.194
  239   3HG2  THR  36          3HG2      THR  36  -6.183   7.773   7.636
  240    H    THR  37           H        THR  37  -3.569   6.475   5.633
  241    HA   THR  37           HA       THR  37  -3.241   4.701   3.228
  242    HB   THR  37           HB       THR  37  -1.426   6.171   2.533
  243    HG1  THR  37           HG1      THR  37  -1.980   7.606   4.916
  244   1HG2  THR  37          1HG2      THR  37  -4.131   7.107   2.920
  245   2HG2  THR  37          2HG2      THR  37  -3.024   7.439   1.591
  246   3HG2  THR  37          3HG2      THR  37  -3.005   8.456   3.030
  247    H    THR  38           H        THR  38  -1.465   3.256   3.315
  248    HA   THR  38           HA       THR  38   0.349   3.322   5.652
  249    HB   THR  38           HB       THR  38  -1.715   2.177   6.414
  250    HG1  THR  38           HG1      THR  38  -0.087   1.260   7.421
  251   1HG2  THR  38          1HG2      THR  38  -1.652  -0.264   5.070
  252   2HG2  THR  38          2HG2      THR  38  -1.445   0.934   3.793
  253   3HG2  THR  38          3HG2      THR  38  -2.849   1.012   4.854
  254    H    TRP  39           H        TRP  39   2.215   1.963   5.309
  255    HA   TRP  39           HA       TRP  39   2.859   1.493   2.497
  256   1HB   TRP  39          1HB       TRP  39   4.366   0.716   5.017
  257   2HB   TRP  39          2HB       TRP  39   5.048   0.944   3.408
  258    HD1  TRP  39           HD1      TRP  39   4.659   2.703   6.551
  259    HE1  TRP  39           HE1      TRP  39   4.946   5.247   6.262
  260    HE3  TRP  39           HE3      TRP  39   4.297   3.061   1.469
  261    HZ2  TRP  39           HZ2      TRP  39   5.013   7.179   4.156
  262    HZ3  TRP  39           HZ3      TRP  39   4.475   5.265   0.349
  263    HH2  TRP  39           HH2      TRP  39   4.832   7.323   1.686
  264    H    GLN  40           H        GLN  40   4.495  -0.920   3.097
  265    HA   GLN  40           HA       GLN  40   2.817  -2.984   2.206
  266   1HB   GLN  40          1HB       GLN  40   5.294  -3.000   2.284
  267   2HB   GLN  40          2HB       GLN  40   5.233  -3.128   4.042
  268   1HG   GLN  40          1HG       GLN  40   4.309  -5.306   3.966
  269   2HG   GLN  40          2HG       GLN  40   3.829  -5.134   2.277
  270   1HE2  GLN  40          1HE2      GLN  40   5.332  -7.372   2.827
  271   2HE2  GLN  40          2HE2      GLN  40   6.927  -7.184   2.274
  272    H    ASP  41           H        ASP  41   1.530  -4.541   3.260
  273    HA   ASP  41           HA       ASP  41   1.479  -4.958   6.107
  274   1HB   ASP  41          1HB       ASP  41  -0.004  -2.699   4.967
  275   2HB   ASP  41          2HB       ASP  41  -1.031  -3.778   5.913
  276    HA   PRO  42           HA       PRO  42  -2.337  -7.109   4.227
  277   1HB   PRO  42          1HB       PRO  42  -3.114  -6.466   1.683
  278   2HB   PRO  42          2HB       PRO  42  -3.712  -5.617   3.120
  279   1HG   PRO  42          1HG       PRO  42  -1.592  -4.817   1.185
  280   2HG   PRO  42          2HG       PRO  42  -2.828  -3.826   1.975
  281   1HD   PRO  42          1HD       PRO  42  -0.222  -3.918   2.778
  282   2HD   PRO  42          2HD       PRO  42  -1.571  -3.554   3.872
  283    H    ARG  43           H        ARG  43   0.221  -6.261   1.932
  284    HA   ARG  43           HA       ARG  43   0.750  -9.145   1.487
  285   1HB   ARG  43          1HB       ARG  43  -0.356  -7.185  -0.475
  286   2HB   ARG  43          2HB       ARG  43   0.846  -8.330  -1.072
  287   1HG   ARG  43          1HG       ARG  43  -0.712  -9.954  -1.127
  288   2HG   ARG  43          2HG       ARG  43  -1.005  -9.745   0.598
  289   1HD   ARG  43          1HD       ARG  43  -2.722  -8.134   0.220
  290   2HD   ARG  43          2HD       ARG  43  -2.234  -7.901  -1.469
  291    HE   ARG  43           HE       ARG  43  -3.396  -9.893  -2.019
  292   1HH1  ARG  43          1HH1      ARG  43  -2.844  -9.676   1.412
  293   2HH1  ARG  43          2HH1      ARG  43  -3.800 -11.074   1.766
  294   1HH2  ARG  43          1HH2      ARG  43  -4.631 -11.704  -1.535
  295   2HH2  ARG  43          2HH2      ARG  43  -4.805 -12.215   0.112
  296    H    LYS  44           H        LYS  44   1.744  -6.324  -0.431
  297    HA   LYS  44           HA       LYS  44   4.454  -6.427   0.814
  298   1HB   LYS  44          1HB       LYS  44   3.917  -7.841  -1.408
  299   2HB   LYS  44          2HB       LYS  44   4.239  -6.278  -2.160
  300   1HG   LYS  44          1HG       LYS  44   6.450  -6.221  -1.392
  301   2HG   LYS  44          2HG       LYS  44   6.128  -7.356  -0.082
  302   1HD   LYS  44          1HD       LYS  44   5.986  -9.205  -1.606
  303   2HD   LYS  44          2HD       LYS  44   5.974  -8.132  -3.004
  304   1HE   LYS  44          1HE       LYS  44   8.294  -7.329  -2.179
  305   2HE   LYS  44          2HE       LYS  44   8.282  -8.781  -1.161
  306   1HZ   LYS  44          1HZ       LYS  44   7.561  -9.972  -3.285
  307   2HZ   LYS  44          2HZ       LYS  44   9.189  -9.502  -3.180
  308   3HZ   LYS  44          3HZ       LYS  44   8.098  -8.592  -4.111
  309    H    GLY   3           H        GLY   3   7.053  10.789   6.707
  310   1HA   GLY   3          1HA       GLY   3   4.753  10.057   8.392
  311   2HA   GLY   3          2HA       GLY   3   4.864  11.477   7.352
  312    HA   PRO   4           HA       PRO   4   2.706   7.763   5.256
  313   1HB   PRO   4          1HB       PRO   4   0.098   8.127   6.004
  314   2HB   PRO   4          2HB       PRO   4   1.216   7.068   6.882
  315   1HG   PRO   4          1HG       PRO   4   0.328   9.841   7.517
  316   2HG   PRO   4          2HG       PRO   4   0.613   8.472   8.602
  317   1HD   PRO   4          1HD       PRO   4   2.379  10.528   8.254
  318   2HD   PRO   4          2HD       PRO   4   2.862   8.888   8.732
  319    HA   PRO   5           HA       PRO   5   1.580  10.774   2.222
  320   1HB   PRO   5          1HB       PRO   5   0.356   9.147   0.392
  321   2HB   PRO   5          2HB       PRO   5   2.114   9.199   0.618
  322   1HG   PRO   5          1HG       PRO   5   0.125   7.220   1.618
  323   2HG   PRO   5          2HG       PRO   5   1.766   6.960   1.009
  324   1HD   PRO   5          1HD       PRO   5   1.109   6.975   3.665
  325   2HD   PRO   5          2HD       PRO   5   2.721   7.389   3.044
  326    HA   PRO   6           HA       PRO   6  -2.650  11.791   2.946
  327   1HB   PRO   6          1HB       PRO   6  -3.336  13.119   0.655
  328   2HB   PRO   6          2HB       PRO   6  -2.266  13.809   1.888
  329   1HG   PRO   6          1HG       PRO   6  -1.593  12.552  -0.724
  330   2HG   PRO   6          2HG       PRO   6  -0.850  13.938   0.084
  331   1HD   PRO   6          1HD       PRO   6   0.220  11.411   0.057
  332   2HD   PRO   6          2HD       PRO   6   0.553  12.620   1.313
  333    H    TYR   7           H        TYR   7  -4.887  11.811   1.487
  334    HA   TYR   7           HA       TYR   7  -5.039   9.070   0.280
  335   1HB   TYR   7          1HB       TYR   7  -6.269   9.846   2.466
  336   2HB   TYR   7          2HB       TYR   7  -7.363  10.659   1.347
  337    HD1  TYR   7           HD1      TYR   7  -7.860   9.018  -0.845
  338    HD2  TYR   7           HD2      TYR   7  -7.028   7.767   3.180
  339    HE1  TYR   7           HE1      TYR   7  -9.018   6.870  -1.272
  340    HE2  TYR   7           HE2      TYR   7  -8.187   5.621   2.751
  341    HH   TYR   7           HH       TYR   7  -8.728   4.347  -0.028
  342   1HN   NH2   8          1HN       NH2   8  -5.188   9.228  -1.983
  343   2HN   NH2   8          2HN       NH2   8  -6.056  10.421  -2.821
  344   1H1   OCT   2          1H1       OCT   2   6.454   9.425   9.213
  345   2H1   OCT   2          2H1       OCT   2   8.076   9.815   8.611
  346   1H2   OCT   2          1H2       OCT   2   7.439   7.990   6.773
  347   2H2   OCT   2          2H2       OCT   2   6.360   7.416   8.044
  348   1H3   OCT   2          1H3       OCT   2   8.414   6.234   8.356
  349   2H3   OCT   2          2H3       OCT   2   8.394   7.487   9.598
  350   1H4   OCT   2          1H4       OCT   2   9.712   8.945   7.985
  351   2H4   OCT   2          2H4       OCT   2   9.899   7.515   6.968
  352   1H5   OCT   2          1H5       OCT   2  11.842   7.465   8.289
  353   2H5   OCT   2          2H5       OCT   2  10.759   6.378   9.159
  354   1H6   OCT   2          1H6       OCT   2  10.043   8.661  10.351
  355   2H6   OCT   2          2H6       OCT   2  11.676   9.131   9.878
  356   1H7   OCT   2          1H7       OCT   2  12.488   7.965  11.625
  357   2H7   OCT   2          2H7       OCT   2  11.827   6.487  10.925
  358   1H8   OCT   2          1H8       OCT   2  10.853   6.667  13.101
  359   2H8   OCT   2          2H8       OCT   2   9.592   7.166  11.971
  360   3H8   OCT   2          3H8       OCT   2  10.497   8.381  12.876
  Start of MODEL   15
    1    H    PHE   5           H        PHE   5   8.589 -14.068  -1.293
    2    HA   PHE   5           HA       PHE   5   8.195 -11.978   0.826
    3   1HB   PHE   5          1HB       PHE   5  10.599 -12.461  -0.965
    4   2HB   PHE   5          2HB       PHE   5  10.473 -11.224   0.285
    5    HD1  PHE   5           HD1      PHE   5   9.615 -12.239   2.656
    6    HD2  PHE   5           HD2      PHE   5  11.744 -14.398  -0.385
    7    HE1  PHE   5           HE1      PHE   5  10.381 -13.875   4.355
    8    HE2  PHE   5           HE2      PHE   5  12.508 -16.036   1.313
    9    HZ   PHE   5           HZ       PHE   5  11.826 -15.774   3.683
   10    H    GLU   6           H        GLU   6   6.291 -12.029  -1.094
   11    HA   GLU   6           HA       GLU   6   6.626  -9.512  -2.479
   12   1HB   GLU   6          1HB       GLU   6   6.722 -10.438  -4.764
   13   2HB   GLU   6          2HB       GLU   6   8.097 -11.002  -3.817
   14   1HG   GLU   6          1HG       GLU   6   6.705 -13.070  -3.271
   15   2HG   GLU   6          2HG       GLU   6   5.578 -12.527  -4.514
   16    H    ILE   7           H        ILE   7   4.813 -10.107  -4.643
   17    HA   ILE   7           HA       ILE   7   2.301 -10.416  -3.081
   18    HB   ILE   7           HB       ILE   7   2.922  -9.449  -5.891
   19   1HG1  ILE   7          1HG1      ILE   7   3.808  -8.004  -4.088
   20   2HG1  ILE   7          2HG1      ILE   7   2.473  -7.219  -4.931
   21   1HG2  ILE   7          1HG2      ILE   7   0.659 -10.249  -5.862
   22   2HG2  ILE   7          2HG2      ILE   7   0.572  -8.496  -5.692
   23   3HG2  ILE   7          3HG2      ILE   7   0.359  -9.529  -4.280
   24   1HD1  ILE   7          1HD1      ILE   7   0.949  -8.177  -3.115
   25   2HD1  ILE   7          2HD1      ILE   7   2.048  -6.897  -2.600
   26   3HD1  ILE   7          3HD1      ILE   7   2.420  -8.581  -2.230
   27    HA   PRO   8           HA       PRO   8   2.372 -14.550  -4.975
   28   1HB   PRO   8          1HB       PRO   8   0.507 -15.630  -3.287
   29   2HB   PRO   8          2HB       PRO   8   2.224 -15.485  -2.865
   30   1HG   PRO   8          1HG       PRO   8  -0.082 -13.766  -2.075
   31   2HG   PRO   8          2HG       PRO   8   1.306 -14.302  -1.115
   32   1HD   PRO   8          1HD       PRO   8   1.103 -11.811  -2.208
   33   2HD   PRO   8          2HD       PRO   8   2.654 -12.619  -1.897
   34    H    ASP   9           H        ASP   9   0.578 -15.827  -6.021
   35    HA   ASP   9           HA       ASP   9  -1.463 -13.992  -7.140
   36   1HB   ASP   9          1HB       ASP   9  -0.339 -16.719  -7.772
   37   2HB   ASP   9          2HB       ASP   9  -1.810 -16.153  -8.565
   38    H    ASP  10           H        ASP  10  -2.941 -13.858  -5.329
   39    HA   ASP  10           HA       ASP  10  -4.968 -15.912  -5.255
   40   1HB   ASP  10          1HB       ASP  10  -2.637 -16.286  -3.655
   41   2HB   ASP  10          2HB       ASP  10  -3.969 -15.908  -2.562
   42    H    VAL  11           H        VAL  11  -3.544 -13.748  -2.775
   43    HA   VAL  11           HA       VAL  11  -6.004 -12.057  -2.916
   44    HB   VAL  11           HB       VAL  11  -4.780 -13.360  -0.461
   45   1HG1  VAL  11          1HG1      VAL  11  -7.126 -12.246   0.364
   46   2HG1  VAL  11          2HG1      VAL  11  -6.599 -11.053  -0.824
   47   3HG1  VAL  11          3HG1      VAL  11  -5.556 -11.460   0.538
   48   1HG2  VAL  11          1HG2      VAL  11  -6.193 -14.849  -1.842
   49   2HG2  VAL  11          2HG2      VAL  11  -7.498 -13.665  -1.777
   50   3HG2  VAL  11          3HG2      VAL  11  -6.973 -14.479  -0.304
   51    HA   PRO  12           HA       PRO  12  -2.290  -9.422  -2.763
   52   1HB   PRO  12          1HB       PRO  12  -3.433  -7.312  -4.092
   53   2HB   PRO  12          2HB       PRO  12  -2.696  -8.700  -4.915
   54   1HG   PRO  12          1HG       PRO  12  -5.568  -8.103  -4.397
   55   2HG   PRO  12          2HG       PRO  12  -4.806  -8.833  -5.815
   56   1HD   PRO  12          1HD       PRO  12  -6.130 -10.257  -3.887
   57   2HD   PRO  12          2HD       PRO  12  -4.838 -10.930  -4.903
   58    H    LEU  13           H        LEU  13  -4.995  -7.144  -2.834
   59    HA   LEU  13           HA       LEU  13  -4.311  -6.359  -0.041
   60   1HB   LEU  13          1HB       LEU  13  -5.334  -5.073  -2.519
   61   2HB   LEU  13          2HB       LEU  13  -5.969  -4.434  -1.004
   62    HG   LEU  13           HG       LEU  13  -3.898  -3.260  -1.779
   63   1HD1  LEU  13          1HD1      LEU  13  -3.452  -4.829   0.773
   64   2HD1  LEU  13          2HD1      LEU  13  -4.553  -3.458   0.649
   65   3HD1  LEU  13          3HD1      LEU  13  -2.828  -3.230   0.385
   66   1HD2  LEU  13          1HD2      LEU  13  -1.739  -4.545  -1.441
   67   2HD2  LEU  13          2HD2      LEU  13  -2.691  -5.040  -2.840
   68   3HD2  LEU  13          3HD2      LEU  13  -2.711  -6.013  -1.370
   69    HA   PRO  14           HA       PRO  14  -8.324  -7.560   1.325
   70   1HB   PRO  14          1HB       PRO  14  -8.875  -5.660   3.219
   71   2HB   PRO  14          2HB       PRO  14  -7.655  -6.921   3.434
   72   1HG   PRO  14          1HG       PRO  14  -7.310  -4.064   2.988
   73   2HG   PRO  14          2HG       PRO  14  -6.164  -5.244   3.614
   74   1HD   PRO  14          1HD       PRO  14  -6.316  -4.133   0.964
   75   2HD   PRO  14          2HD       PRO  14  -5.125  -5.278   1.613
   76    H    ALA  15           H        ALA  15 -10.663  -6.719   1.711
   77    HA   ALA  15           HA       ALA  15 -11.557  -5.299  -0.645
   78   1HB   ALA  15          1HB       ALA  15 -13.543  -6.196   0.015
   79   2HB   ALA  15          2HB       ALA  15 -13.400  -5.524   1.639
   80   3HB   ALA  15          3HB       ALA  15 -12.589  -7.038   1.238
   81    H    GLY  16           H        GLY  16 -12.713  -3.235  -0.649
   82   1HA   GLY  16          1HA       GLY  16 -12.884  -0.957  -0.105
   83   2HA   GLY  16          2HA       GLY  16 -12.988  -1.500   1.568
   84    H    TRP  17           H        TRP  17 -10.273  -1.882  -0.708
   85    HA   TRP  17           HA       TRP  17  -8.674   0.009   0.966
   86   1HB   TRP  17          1HB       TRP  17  -8.464  -2.917   0.728
   87   2HB   TRP  17          2HB       TRP  17  -6.945  -2.077   0.433
   88    HD1  TRP  17           HD1      TRP  17  -9.625  -2.540   3.143
   89    HE1  TRP  17           HE1      TRP  17  -8.597  -1.867   5.412
   90    HE3  TRP  17           HE3      TRP  17  -5.148  -0.705   1.557
   91    HZ2  TRP  17           HZ2      TRP  17  -6.177  -0.701   6.416
   92    HZ3  TRP  17           HZ3      TRP  17  -3.497   0.177   3.174
   93    HH2  TRP  17           HH2      TRP  17  -4.005   0.182   5.602
   94    H    GLU  18           H        GLU  18  -8.426   1.501  -0.776
   95    HA   GLU  18           HA       GLU  18  -7.649   0.603  -3.451
   96   1HB   GLU  18          1HB       GLU  18  -8.881   2.788  -2.562
   97   2HB   GLU  18          2HB       GLU  18  -7.229   3.392  -2.403
   98   1HG   GLU  18          1HG       GLU  18  -7.244   3.867  -4.596
   99   2HG   GLU  18          2HG       GLU  18  -7.337   2.136  -4.924
  100    H    MET  19           H        MET  19  -5.528   1.879  -4.291
  101    HA   MET  19           HA       MET  19  -3.365   1.818  -2.266
  102   1HB   MET  19          1HB       MET  19  -2.071   0.277  -3.748
  103   2HB   MET  19          2HB       MET  19  -3.492  -0.471  -3.038
  104   1HG   MET  19          1HG       MET  19  -3.791   0.879  -5.692
  105   2HG   MET  19          2HG       MET  19  -2.972  -0.681  -5.650
  106   1HE   MET  19          1HE       MET  19  -3.660  -2.480  -4.266
  107   2HE   MET  19          2HE       MET  19  -5.273  -3.182  -4.357
  108   3HE   MET  19          3HE       MET  19  -4.856  -2.122  -3.014
  109    H    ALA  20           H        ALA  20  -1.369   2.780  -3.149
  110    HA   ALA  20           HA       ALA  20  -1.427   4.011  -5.793
  111   1HB   ALA  20          1HB       ALA  20  -2.762   5.712  -5.086
  112   2HB   ALA  20          2HB       ALA  20  -1.329   6.304  -4.248
  113   3HB   ALA  20          3HB       ALA  20  -2.508   5.313  -3.387
  114    H    LYS  21           H        LYS  21   0.616   5.015  -6.277
  115    HA   LYS  21           HA       LYS  21   2.785   4.240  -4.393
  116   1HB   LYS  21          1HB       LYS  21   4.191   4.576  -6.433
  117   2HB   LYS  21          2HB       LYS  21   2.879   3.429  -6.701
  118   1HG   LYS  21          1HG       LYS  21   1.896   6.058  -7.274
  119   2HG   LYS  21          2HG       LYS  21   3.423   5.841  -8.128
  120   1HD   LYS  21          1HD       LYS  21   2.458   3.531  -8.820
  121   2HD   LYS  21          2HD       LYS  21   0.901   4.202  -8.336
  122   1HE   LYS  21          1HE       LYS  21   1.267   6.116  -9.895
  123   2HE   LYS  21          2HE       LYS  21   2.785   5.364 -10.420
  124   1HZ   LYS  21          1HZ       LYS  21   0.914   4.711 -11.845
  125   2HZ   LYS  21          2HZ       LYS  21   0.101   4.076 -10.495
  126   3HZ   LYS  21          3HZ       LYS  21   1.557   3.375 -11.022
  127    H    THR  22           H        THR  22   3.840   5.808  -3.224
  128    HA   THR  22           HA       THR  22   3.246   8.660  -3.909
  129    HB   THR  22           HB       THR  22   2.711   7.919  -1.655
  130    HG1  THR  22           HG1      THR  22   3.529   9.986  -1.754
  131   1HG2  THR  22          1HG2      THR  22   4.861   7.308  -0.240
  132   2HG2  THR  22          2HG2      THR  22   5.475   6.792  -1.811
  133   3HG2  THR  22          3HG2      THR  22   4.005   6.069  -1.158
  134    H    SER  23           H        SER  23   5.474   6.642  -4.966
  135    HA   SER  23           HA       SER  23   7.514   8.712  -5.333
  136   1HB   SER  23          1HB       SER  23   8.245   6.178  -3.835
  137   2HB   SER  23          2HB       SER  23   9.254   7.598  -4.092
  138    HG   SER  23           HG       SER  23   8.305   7.530  -1.999
  139    H    SER  24           H        SER  24   9.568   6.573  -5.844
  140    HA   SER  24           HA       SER  24   9.099   6.022  -8.580
  141   1HB   SER  24          1HB       SER  24  10.909   5.213  -6.422
  142   2HB   SER  24          2HB       SER  24  10.666   3.928  -7.605
  143    HG   SER  24           HG       SER  24  12.222   6.001  -7.843
  144    H    GLY  25           H        GLY  25   8.594   3.909  -5.750
  145   1HA   GLY  25          1HA       GLY  25   6.260   2.680  -7.033
  146   2HA   GLY  25          2HA       GLY  25   7.607   1.576  -6.770
  147    H    GLN  26           H        GLN  26   7.137   4.214  -4.534
  148    HA   GLN  26           HA       GLN  26   6.996   2.511  -2.244
  149   1HB   GLN  26          1HB       GLN  26   6.721   5.361  -2.947
  150   2HB   GLN  26          2HB       GLN  26   5.790   4.893  -1.526
  151   1HG   GLN  26          1HG       GLN  26   7.954   5.516  -0.717
  152   2HG   GLN  26          2HG       GLN  26   7.905   3.754  -0.670
  153   1HE2  GLN  26          1HE2      GLN  26   8.890   2.638  -2.669
  154   2HE2  GLN  26          2HE2      GLN  26  10.213   3.390  -3.418
  155    H    ARG  27           H        ARG  27   5.372   0.943  -2.757
  156    HA   ARG  27           HA       ARG  27   2.683   1.614  -3.512
  157   1HB   ARG  27          1HB       ARG  27   4.329  -0.710  -2.881
  158   2HB   ARG  27          2HB       ARG  27   2.675  -0.898  -2.313
  159   1HG   ARG  27          1HG       ARG  27   2.221   0.175  -4.753
  160   2HG   ARG  27          2HG       ARG  27   3.712  -0.707  -5.082
  161   1HD   ARG  27          1HD       ARG  27   2.060  -2.405  -3.495
  162   2HD   ARG  27          2HD       ARG  27   1.057  -1.765  -4.810
  163    HE   ARG  27           HE       ARG  27   2.443  -2.916  -6.354
  164   1HH1  ARG  27          1HH1      ARG  27   3.961  -2.708  -3.227
  165   2HH1  ARG  27          2HH1      ARG  27   5.269  -3.747  -3.671
  166   1HH2  ARG  27          1HH2      ARG  27   4.153  -4.262  -6.907
  167   2HH2  ARG  27          2HH2      ARG  27   5.380  -4.620  -5.738
  168    H    TYR  28           H        TYR  28   1.909   3.161  -1.939
  169    HA   TYR  28           HA       TYR  28   1.580   2.072   0.812
  170   1HB   TYR  28          1HB       TYR  28   1.315   4.327   1.505
  171   2HB   TYR  28          2HB       TYR  28   2.524   4.438   0.230
  172    HD1  TYR  28           HD1      TYR  28   2.097   5.643  -1.775
  173    HD2  TYR  28           HD2      TYR  28  -1.087   4.844   0.986
  174    HE1  TYR  28           HE1      TYR  28   0.623   7.177  -3.036
  175    HE2  TYR  28           HE2      TYR  28  -2.561   6.379  -0.268
  176    HH   TYR  28           HH       TYR  28  -2.792   7.418  -2.356
  177    H    PHE  29           H        PHE  29  -0.339   1.225   1.355
  178    HA   PHE  29           HA       PHE  29  -2.425   1.249  -0.695
  179   1HB   PHE  29          1HB       PHE  29  -1.839  -0.279   1.822
  180   2HB   PHE  29          2HB       PHE  29  -3.348  -0.508   0.922
  181    HD1  PHE  29           HD1      PHE  29   0.341  -0.762   0.769
  182    HD2  PHE  29           HD2      PHE  29  -3.344  -1.397  -1.335
  183    HE1  PHE  29           HE1      PHE  29   1.556  -2.024  -0.979
  184    HE2  PHE  29           HE2      PHE  29  -2.135  -2.670  -3.076
  185    HZ   PHE  29           HZ       PHE  29   0.316  -2.983  -2.903
  186    H    LEU  30           H        LEU  30  -4.290   2.182  -0.616
  187    HA   LEU  30           HA       LEU  30  -4.847   4.197   1.450
  188   1HB   LEU  30          1HB       LEU  30  -5.663   3.439  -1.330
  189   2HB   LEU  30          2HB       LEU  30  -6.712   4.533  -0.415
  190    HG   LEU  30           HG       LEU  30  -3.743   4.950  -0.834
  191   1HD1  LEU  30          1HD1      LEU  30  -4.638   5.263  -2.982
  192   2HD1  LEU  30          2HD1      LEU  30  -4.717   6.887  -2.298
  193   3HD1  LEU  30          3HD1      LEU  30  -6.167   5.884  -2.357
  194   1HD2  LEU  30          1HD2      LEU  30  -5.976   6.657   0.313
  195   2HD2  LEU  30          2HD2      LEU  30  -4.383   7.293  -0.100
  196   3HD2  LEU  30          3HD2      LEU  30  -4.545   6.069   1.157
  197    H    ASN  31           H        ASN  31  -5.878   3.275   3.235
  198    HA   ASN  31           HA       ASN  31  -7.804   1.099   3.000
  199   1HB   ASN  31          1HB       ASN  31  -6.269   1.681   4.955
  200   2HB   ASN  31          2HB       ASN  31  -7.345   3.037   5.285
  201   1HD2  ASN  31          1HD2      ASN  31  -7.356   1.396   7.371
  202   2HD2  ASN  31          2HD2      ASN  31  -8.681   0.336   7.383
  203    H    HIS  32           H        HIS  32  -9.854   1.451   2.222
  204    HA   HIS  32           HA       HIS  32 -10.990   4.165   2.138
  205   1HB   HIS  32          1HB       HIS  32 -11.198   1.710   0.730
  206   2HB   HIS  32          2HB       HIS  32 -12.795   2.036   1.401
  207    HD1  HIS  32           HD1      HIS  32 -14.091   4.048   0.480
  208    HD2  HIS  32           HD2      HIS  32 -10.247   3.724  -1.102
  209    HE1  HIS  32           HE1      HIS  32 -13.965   5.695  -1.442
  210    H    ILE  33           H        ILE  33 -11.968   1.017   3.555
  211    HA   ILE  33           HA       ILE  33 -14.257   1.863   4.961
  212    HB   ILE  33           HB       ILE  33 -13.671  -0.091   6.447
  213   1HG1  ILE  33          1HG1      ILE  33 -11.312  -0.681   4.731
  214   2HG1  ILE  33          2HG1      ILE  33 -11.095   0.565   5.960
  215   1HG2  ILE  33          1HG2      ILE  33 -13.801  -0.110   3.492
  216   2HG2  ILE  33          2HG2      ILE  33 -14.793  -0.971   4.669
  217   3HG2  ILE  33          3HG2      ILE  33 -13.205  -1.599   4.225
  218   1HD1  ILE  33          1HD1      ILE  33 -10.825  -1.071   7.485
  219   2HD1  ILE  33          2HD1      ILE  33 -11.232  -2.305   6.292
  220   3HD1  ILE  33          3HD1      ILE  33 -12.509  -1.524   7.225
  221    H    ASP  34           H        ASP  34 -10.891   2.510   5.609
  222    HA   ASP  34           HA       ASP  34 -11.661   3.837   8.190
  223   1HB   ASP  34          1HB       ASP  34 -10.036   1.716   7.919
  224   2HB   ASP  34          2HB       ASP  34  -8.856   2.992   7.613
  225    H    GLN  35           H        GLN  35 -10.541   4.339   5.012
  226    HA   GLN  35           HA       GLN  35  -9.631   6.221   3.926
  227   1HB   GLN  35          1HB       GLN  35 -10.624   7.523   6.483
  228   2HB   GLN  35          2HB       GLN  35 -10.311   8.349   4.956
  229   1HG   GLN  35          1HG       GLN  35 -12.082   6.029   4.660
  230   2HG   GLN  35          2HG       GLN  35 -12.744   7.268   5.726
  231   1HE2  GLN  35          1HE2      GLN  35 -14.190   8.417   4.401
  232   2HE2  GLN  35          2HE2      GLN  35 -13.787   9.077   2.890
  233    H    THR  36           H        THR  36  -7.454   5.145   4.435
  234    HA   THR  36           HA       THR  36  -5.707   7.128   5.729
  235    HB   THR  36           HB       THR  36  -4.822   5.042   7.159
  236    HG1  THR  36           HG1      THR  36  -6.402   3.643   7.647
  237   1HG2  THR  36          1HG2      THR  36  -5.751   6.099   8.988
  238   2HG2  THR  36          2HG2      THR  36  -7.318   6.305   8.205
  239   3HG2  THR  36          3HG2      THR  36  -5.970   7.360   7.774
  240    H    THR  37           H        THR  37  -3.354   6.378   5.559
  241    HA   THR  37           HA       THR  37  -2.997   4.561   3.193
  242    HB   THR  37           HB       THR  37  -1.244   6.097   2.464
  243    HG1  THR  37           HG1      THR  37  -1.852   7.517   4.846
  244   1HG2  THR  37          1HG2      THR  37  -3.990   6.901   2.863
  245   2HG2  THR  37          2HG2      THR  37  -2.912   7.268   1.517
  246   3HG2  THR  37          3HG2      THR  37  -2.931   8.309   2.942
  247    H    THR  38           H        THR  38  -1.616   2.862   3.587
  248    HA   THR  38           HA       THR  38   0.321   3.132   5.867
  249    HB   THR  38           HB       THR  38  -1.571   1.793   6.580
  250    HG1  THR  38           HG1      THR  38   0.415   0.962   7.193
  251   1HG2  THR  38          1HG2      THR  38  -1.172   0.471   3.904
  252   2HG2  THR  38          2HG2      THR  38  -2.648   1.147   4.595
  253   3HG2  THR  38          3HG2      THR  38  -2.000  -0.372   5.214
  254    H    TRP  39           H        TRP  39   2.171   1.578   5.665
  255    HA   TRP  39           HA       TRP  39   2.861   1.127   2.780
  256   1HB   TRP  39          1HB       TRP  39   4.798   1.236   5.102
  257   2HB   TRP  39          2HB       TRP  39   5.116   1.560   3.401
  258    HD1  TRP  39           HD1      TRP  39   3.323   3.101   6.433
  259    HE1  TRP  39           HE1      TRP  39   3.203   5.654   6.102
  260    HE3  TRP  39           HE3      TRP  39   5.250   3.472   1.717
  261    HZ2  TRP  39           HZ2      TRP  39   3.838   7.596   4.105
  262    HZ3  TRP  39           HZ3      TRP  39   5.481   5.684   0.627
  263    HH2  TRP  39           HH2      TRP  39   4.774   7.749   1.812
  264    H    GLN  40           H        GLN  40   3.174  -0.288   6.044
  265    HA   GLN  40           HA       GLN  40   4.416  -2.726   5.439
  266   1HB   GLN  40          1HB       GLN  40   2.743  -1.546   7.509
  267   2HB   GLN  40          2HB       GLN  40   2.437  -3.276   7.351
  268   1HG   GLN  40          1HG       GLN  40   4.244  -3.329   8.797
  269   2HG   GLN  40          2HG       GLN  40   5.098  -3.374   7.254
  270   1HE2  GLN  40          1HE2      GLN  40   6.966  -2.144   7.784
  271   2HE2  GLN  40          2HE2      GLN  40   6.907  -0.537   8.328
  272    H    ASP  41           H        ASP  41   1.175  -1.685   4.645
  273    HA   ASP  41           HA       ASP  41  -0.509  -2.721   3.363
  274   1HB   ASP  41          1HB       ASP  41   1.627  -3.244   2.037
  275   2HB   ASP  41          2HB       ASP  41   1.578  -4.838   2.791
  276    HA   PRO  42           HA       PRO  42  -1.943  -5.641   6.406
  277   1HB   PRO  42          1HB       PRO  42  -4.423  -6.089   5.345
  278   2HB   PRO  42          2HB       PRO  42  -4.011  -4.622   6.252
  279   1HG   PRO  42          1HG       PRO  42  -4.211  -5.046   3.311
  280   2HG   PRO  42          2HG       PRO  42  -4.698  -3.650   4.282
  281   1HD   PRO  42          1HD       PRO  42  -2.398  -3.755   2.804
  282   2HD   PRO  42          2HD       PRO  42  -2.595  -2.746   4.252
  283    H    ARG  43           H        ARG  43  -2.012  -6.234   2.931
  284    HA   ARG  43           HA       ARG  43  -1.637  -9.155   3.486
  285   1HB   ARG  43          1HB       ARG  43  -3.437  -7.748   1.497
  286   2HB   ARG  43          2HB       ARG  43  -3.041  -9.462   1.373
  287   1HG   ARG  43          1HG       ARG  43  -3.992  -9.884   3.576
  288   2HG   ARG  43          2HG       ARG  43  -4.281  -8.162   3.816
  289   1HD   ARG  43          1HD       ARG  43  -6.153  -8.170   2.488
  290   2HD   ARG  43          2HD       ARG  43  -5.446  -9.321   1.338
  291    HE   ARG  43           HE       ARG  43  -6.348 -11.078   2.643
  292   1HH1  ARG  43          1HH1      ARG  43  -6.248  -8.112   4.461
  293   2HH1  ARG  43          2HH1      ARG  43  -7.094  -8.782   5.812
  294   1HH2  ARG  43          1HH2      ARG  43  -7.446 -11.926   4.409
  295   2HH2  ARG  43          2HH2      ARG  43  -7.767 -10.926   5.785
  296    H    LYS  44           H        LYS  44   0.673  -8.761   3.133
  297    HA   LYS  44           HA       LYS  44   1.578  -7.639   0.576
  298   1HB   LYS  44          1HB       LYS  44   2.663  -7.559   2.933
  299   2HB   LYS  44          2HB       LYS  44   3.202  -9.203   2.584
  300   1HG   LYS  44          1HG       LYS  44   3.776  -7.681   0.270
  301   2HG   LYS  44          2HG       LYS  44   4.296  -6.700   1.641
  302   1HD   LYS  44          1HD       LYS  44   5.195  -9.175   2.389
  303   2HD   LYS  44          2HD       LYS  44   5.375  -9.262   0.637
  304   1HE   LYS  44          1HE       LYS  44   7.286  -8.054   0.852
  305   2HE   LYS  44          2HE       LYS  44   6.298  -6.687   1.398
  306   1HZ   LYS  44          1HZ       LYS  44   6.352  -7.549   3.635
  307   2HZ   LYS  44          2HZ       LYS  44   7.949  -7.403   3.074
  308   3HZ   LYS  44          3HZ       LYS  44   7.204  -8.928   3.135
  309    H    GLY   3           H        GLY   3   3.979  12.649   6.005
  310   1HA   GLY   3          1HA       GLY   3   5.603  10.295   6.784
  311   2HA   GLY   3          2HA       GLY   3   4.151  10.618   7.729
  312    HA   PRO   4           HA       PRO   4   2.027   8.232   4.693
  313   1HB   PRO   4          1HB       PRO   4  -0.539   8.965   5.301
  314   2HB   PRO   4          2HB       PRO   4   0.409   7.846   6.298
  315   1HG   PRO   4          1HG       PRO   4  -0.151  10.746   6.700
  316   2HG   PRO   4          2HG       PRO   4  -0.072   9.438   7.889
  317   1HD   PRO   4          1HD       PRO   4   1.948  11.236   7.470
  318   2HD   PRO   4          2HD       PRO   4   2.207   9.590   8.084
  319    HA   PRO   5           HA       PRO   5   1.442  11.179   1.440
  320   1HB   PRO   5          1HB       PRO   5   0.257   9.547  -0.411
  321   2HB   PRO   5          2HB       PRO   5   1.990   9.490  -0.039
  322   1HG   PRO   5          1HG       PRO   5  -0.212   7.708   0.884
  323   2HG   PRO   5          2HG       PRO   5   1.448   7.304   0.424
  324   1HD   PRO   5          1HD       PRO   5   0.593   7.500   3.013
  325   2HD   PRO   5          2HD       PRO   5   2.269   7.781   2.502
  326    HA   PRO   6           HA       PRO   6  -2.751  12.521   1.705
  327   1HB   PRO   6          1HB       PRO   6  -3.199  13.630  -0.756
  328   2HB   PRO   6          2HB       PRO   6  -2.171  14.390   0.474
  329   1HG   PRO   6          1HG       PRO   6  -1.408  12.808  -1.932
  330   2HG   PRO   6          2HG       PRO   6  -0.640  14.241  -1.237
  331   1HD   PRO   6          1HD       PRO   6   0.293  11.689  -0.899
  332   2HD   PRO   6          2HD       PRO   6   0.585  13.008   0.252
  333    H    TYR   7           H        TYR   7  -4.784  11.591   1.408
  334    HA   TYR   7           HA       TYR   7  -5.010   9.133  -0.113
  335   1HB   TYR   7          1HB       TYR   7  -6.187  10.035   2.063
  336   2HB   TYR   7          2HB       TYR   7  -7.331  10.743   0.923
  337    HD1  TYR   7           HD1      TYR   7  -6.922   8.014   2.954
  338    HD2  TYR   7           HD2      TYR   7  -7.796   8.926  -1.154
  339    HE1  TYR   7           HE1      TYR   7  -8.039   5.815   2.702
  340    HE2  TYR   7           HE2      TYR   7  -8.912   6.727  -1.403
  341    HH   TYR   7           HH       TYR   7  -8.628   4.362  -0.086
  342   1HN   NH2   8          1HN       NH2   8  -6.848  12.238  -0.471
  343   2HN   NH2   8          2HN       NH2   8  -7.072  12.085  -2.147
  344   1H1   OCT   2          1H1       OCT   2   6.218  12.919   5.117
  345   2H1   OCT   2          2H1       OCT   2   6.810  11.783   6.343
  346   1H2   OCT   2          1H2       OCT   2   5.834  13.629   8.002
  347   2H2   OCT   2          2H2       OCT   2   6.106  14.691   6.620
  348   1H3   OCT   2          1H3       OCT   2   8.468  13.677   6.527
  349   2H3   OCT   2          2H3       OCT   2   8.128  13.027   8.131
  350   1H4   OCT   2          1H4       OCT   2   7.790  15.240   9.031
  351   2H4   OCT   2          2H4       OCT   2   7.842  15.960   7.421
  352   1H5   OCT   2          1H5       OCT   2  10.063  16.236   7.699
  353   2H5   OCT   2          2H5       OCT   2  10.230  14.481   7.670
  354   1H6   OCT   2          1H6       OCT   2   9.400  14.818  10.224
  355   2H6   OCT   2          2H6       OCT   2  10.238  16.351   9.980
  356   1H7   OCT   2          1H7       OCT   2  12.284  15.352   9.886
  357   2H7   OCT   2          2H7       OCT   2  11.676  13.978   8.961
  358   1H8   OCT   2          1H8       OCT   2  11.261  12.745  10.834
  359   2H8   OCT   2          2H8       OCT   2  10.698  14.144  11.748
  360   3H8   OCT   2          3H8       OCT   2  12.427  13.838  11.583
  Start of MODEL   16
    1    H    PHE   5           H        PHE   5  12.183  -6.028  -2.646
    2    HA   PHE   5           HA       PHE   5  10.092  -4.109  -2.924
    3   1HB   PHE   5          1HB       PHE   5  12.880  -4.543  -3.844
    4   2HB   PHE   5          2HB       PHE   5  11.938  -3.389  -4.789
    5    HD1  PHE   5           HD1      PHE   5  10.645  -1.563  -3.479
    6    HD2  PHE   5           HD2      PHE   5  13.833  -3.897  -1.795
    7    HE1  PHE   5           HE1      PHE   5  10.958   0.144  -1.708
    8    HE2  PHE   5           HE2      PHE   5  14.146  -2.191  -0.023
    9    HZ   PHE   5           HZ       PHE   5  12.709  -0.170   0.021
   10    H    GLU   6           H        GLU   6  11.304  -6.602  -5.138
   11    HA   GLU   6           HA       GLU   6   9.557  -5.685  -7.335
   12   1HB   GLU   6          1HB       GLU   6  10.635  -7.593  -8.499
   13   2HB   GLU   6          2HB       GLU   6  11.834  -6.563  -7.716
   14   1HG   GLU   6          1HG       GLU   6  10.898  -8.573  -5.860
   15   2HG   GLU   6          2HG       GLU   6  11.467  -9.340  -7.344
   16    H    ILE   7           H        ILE   7   7.957  -6.281  -5.146
   17    HA   ILE   7           HA       ILE   7   7.055  -8.917  -4.772
   18    HB   ILE   7           HB       ILE   7   6.371  -6.897  -3.504
   19   1HG1  ILE   7          1HG1      ILE   7   4.064  -8.377  -4.811
   20   2HG1  ILE   7          2HG1      ILE   7   4.964  -8.916  -3.392
   21   1HG2  ILE   7          1HG2      ILE   7   5.224  -5.141  -4.439
   22   2HG2  ILE   7          2HG2      ILE   7   4.351  -6.179  -5.568
   23   3HG2  ILE   7          3HG2      ILE   7   6.020  -5.716  -5.906
   24   1HD1  ILE   7          1HD1      ILE   7   4.018  -6.188  -3.056
   25   2HD1  ILE   7          2HD1      ILE   7   3.745  -7.595  -2.028
   26   3HD1  ILE   7          3HD1      ILE   7   2.682  -7.287  -3.400
   27    HA   PRO   8           HA       PRO   8   5.340  -9.901  -8.736
   28   1HB   PRO   8          1HB       PRO   8   3.762 -12.012  -8.000
   29   2HB   PRO   8          2HB       PRO   8   5.525 -12.125  -8.137
   30   1HG   PRO   8          1HG       PRO   8   3.823 -11.813  -5.712
   31   2HG   PRO   8          2HG       PRO   8   5.290 -12.775  -5.944
   32   1HD   PRO   8          1HD       PRO   8   5.238 -10.353  -4.671
   33   2HD   PRO   8          2HD       PRO   8   6.668 -11.001  -5.501
   34    H    ASP   9           H        ASP   9   3.538  -9.152  -9.841
   35    HA   ASP   9           HA       ASP   9   1.430  -7.783  -8.347
   36   1HB   ASP   9          1HB       ASP   9   2.567  -7.889 -11.002
   37   2HB   ASP   9          2HB       ASP   9   0.808  -7.991 -11.100
   38    H    ASP  10           H        ASP  10   0.745  -9.936  -7.273
   39    HA   ASP  10           HA       ASP  10  -1.513 -11.067  -8.830
   40   1HB   ASP  10          1HB       ASP  10   0.662 -12.370  -9.211
   41   2HB   ASP  10          2HB       ASP  10   0.563 -12.835  -7.513
   42    H    VAL  11           H        VAL  11  -1.858  -9.388  -6.701
   43    HA   VAL  11           HA       VAL  11  -2.706 -11.250  -4.515
   44    HB   VAL  11           HB       VAL  11  -1.387  -8.526  -4.293
   45   1HG1  VAL  11          1HG1      VAL  11  -2.841 -10.266  -2.367
   46   2HG1  VAL  11          2HG1      VAL  11  -2.649  -8.513  -2.375
   47   3HG1  VAL  11          3HG1      VAL  11  -1.340  -9.542  -1.792
   48   1HG2  VAL  11          1HG2      VAL  11   0.486  -9.749  -3.333
   49   2HG2  VAL  11          2HG2      VAL  11   0.111 -10.436  -4.913
   50   3HG2  VAL  11          3HG2      VAL  11  -0.405 -11.268  -3.446
   51    HA   PRO  12           HA       PRO  12  -6.489  -9.026  -5.440
   52   1HB   PRO  12          1HB       PRO  12  -8.071 -10.281  -3.593
   53   2HB   PRO  12          2HB       PRO  12  -7.623 -11.015  -5.144
   54   1HG   PRO  12          1HG       PRO  12  -6.493 -11.474  -2.425
   55   2HG   PRO  12          2HG       PRO  12  -6.809 -12.633  -3.724
   56   1HD   PRO  12          1HD       PRO  12  -4.330 -11.633  -3.143
   57   2HD   PRO  12          2HD       PRO  12  -4.810 -12.205  -4.754
   58    H    LEU  13           H        LEU  13  -4.618  -8.919  -2.594
   59    HA   LEU  13           HA       LEU  13  -4.579  -7.412  -0.775
   60   1HB   LEU  13          1HB       LEU  13  -5.389  -6.101  -3.189
   61   2HB   LEU  13          2HB       LEU  13  -6.290  -5.391  -1.849
   62    HG   LEU  13           HG       LEU  13  -3.764  -5.625  -0.782
   63   1HD1  LEU  13          1HD1      LEU  13  -2.132  -5.071  -2.374
   64   2HD1  LEU  13          2HD1      LEU  13  -3.328  -4.514  -3.545
   65   3HD1  LEU  13          3HD1      LEU  13  -3.127  -6.240  -3.242
   66   1HD2  LEU  13          1HD2      LEU  13  -5.605  -3.616  -1.448
   67   2HD2  LEU  13          2HD2      LEU  13  -4.093  -3.109  -2.194
   68   3HD2  LEU  13          3HD2      LEU  13  -4.154  -3.425  -0.461
   69    HA   PRO  14           HA       PRO  14  -8.449  -7.648   1.337
   70   1HB   PRO  14          1HB       PRO  14  -8.427  -5.427   2.940
   71   2HB   PRO  14          2HB       PRO  14  -7.354  -6.814   3.184
   72   1HG   PRO  14          1HG       PRO  14  -6.727  -4.132   2.232
   73   2HG   PRO  14          2HG       PRO  14  -5.647  -5.387   2.837
   74   1HD   PRO  14          1HD       PRO  14  -6.189  -4.626   0.104
   75   2HD   PRO  14          2HD       PRO  14  -4.995  -5.788   0.714
   76    H    ALA  15           H        ALA  15 -10.655  -6.803   1.527
   77    HA   ALA  15           HA       ALA  15 -11.507  -5.216  -0.754
   78   1HB   ALA  15          1HB       ALA  15 -12.665  -7.159   0.490
   79   2HB   ALA  15          2HB       ALA  15 -13.680  -5.793   0.024
   80   3HB   ALA  15          3HB       ALA  15 -13.126  -5.952   1.690
   81    H    GLY  16           H        GLY  16 -12.773  -3.182  -0.542
   82   1HA   GLY  16          1HA       GLY  16 -12.967  -0.960   0.201
   83   2HA   GLY  16          2HA       GLY  16 -12.980  -1.643   1.828
   84    H    TRP  17           H        TRP  17 -10.361  -1.915  -0.533
   85    HA   TRP  17           HA       TRP  17  -8.684  -0.085   1.138
   86   1HB   TRP  17          1HB       TRP  17  -8.548  -2.998   0.749
   87   2HB   TRP  17          2HB       TRP  17  -7.019  -2.180   0.447
   88    HD1  TRP  17           HD1      TRP  17  -9.659  -2.639   3.208
   89    HE1  TRP  17           HE1      TRP  17  -8.530  -2.190   5.482
   90    HE3  TRP  17           HE3      TRP  17  -5.095  -1.049   1.610
   91    HZ2  TRP  17           HZ2      TRP  17  -6.006  -1.278   6.485
   92    HZ3  TRP  17           HZ3      TRP  17  -3.346  -0.394   3.234
   93    HH2  TRP  17           HH2      TRP  17  -3.792  -0.507   5.666
   94    H    GLU  18           H        GLU  18  -8.476   1.475  -0.568
   95    HA   GLU  18           HA       GLU  18  -7.827   0.639  -3.302
   96   1HB   GLU  18          1HB       GLU  18  -9.043   2.784  -2.406
   97   2HB   GLU  18          2HB       GLU  18  -7.410   3.393  -2.127
   98   1HG   GLU  18          1HG       GLU  18  -7.157   3.870  -4.302
   99   2HG   GLU  18          2HG       GLU  18  -7.554   2.211  -4.749
  100    H    MET  19           H        MET  19  -5.731   1.911  -4.198
  101    HA   MET  19           HA       MET  19  -3.505   1.780  -2.247
  102   1HB   MET  19          1HB       MET  19  -2.243   0.353  -3.888
  103   2HB   MET  19          2HB       MET  19  -3.582  -0.461  -3.094
  104   1HG   MET  19          1HG       MET  19  -4.114   0.963  -5.681
  105   2HG   MET  19          2HG       MET  19  -3.259  -0.578  -5.749
  106   1HE   MET  19          1HE       MET  19  -4.782  -3.116  -5.230
  107   2HE   MET  19          2HE       MET  19  -5.392  -2.823  -3.604
  108   3HE   MET  19          3HE       MET  19  -3.790  -2.248  -4.054
  109    H    ALA  20           H        ALA  20  -1.664   2.935  -2.971
  110    HA   ALA  20           HA       ALA  20  -1.787   4.326  -5.568
  111   1HB   ALA  20          1HB       ALA  20  -1.539   6.503  -4.046
  112   2HB   ALA  20          2HB       ALA  20  -2.363   5.488  -2.863
  113   3HB   ALA  20          3HB       ALA  20  -3.131   5.837  -4.411
  114    H    LYS  21           H        LYS  21   0.316   4.607  -6.275
  115    HA   LYS  21           HA       LYS  21   2.486   3.969  -4.342
  116   1HB   LYS  21          1HB       LYS  21   2.432   4.145  -7.369
  117   2HB   LYS  21          2HB       LYS  21   3.756   3.503  -6.397
  118   1HG   LYS  21          1HG       LYS  21   2.749   1.494  -6.297
  119   2HG   LYS  21          2HG       LYS  21   1.301   2.227  -5.606
  120   1HD   LYS  21          1HD       LYS  21   0.209   2.242  -7.604
  121   2HD   LYS  21          2HD       LYS  21   1.657   2.702  -8.499
  122   1HE   LYS  21          1HE       LYS  21   2.251   0.124  -7.644
  123   2HE   LYS  21          2HE       LYS  21   0.529   0.033  -8.056
  124   1HZ   LYS  21          1HZ       LYS  21   0.928   0.891 -10.187
  125   2HZ   LYS  21          2HZ       LYS  21   2.184  -0.231  -9.958
  126   3HZ   LYS  21          3HZ       LYS  21   2.485   1.432  -9.787
  127    H    THR  22           H        THR  22   4.061   5.436  -3.822
  128    HA   THR  22           HA       THR  22   4.085   8.057  -5.289
  129    HB   THR  22           HB       THR  22   2.912   8.262  -3.144
  130    HG1  THR  22           HG1      THR  22   4.371   9.927  -3.750
  131   1HG2  THR  22          1HG2      THR  22   3.880   6.264  -2.069
  132   2HG2  THR  22          2HG2      THR  22   4.048   7.685  -1.038
  133   3HG2  THR  22          3HG2      THR  22   5.436   7.085  -1.947
  134    H    SER  23           H        SER  23   6.233   9.158  -5.116
  135    HA   SER  23           HA       SER  23   8.590   9.086  -5.326
  136   1HB   SER  23          1HB       SER  23   8.255   7.025  -3.120
  137   2HB   SER  23          2HB       SER  23   9.661   8.052  -3.403
  138    HG   SER  23           HG       SER  23   7.404   8.590  -2.043
  139    H    SER  24           H        SER  24  10.013   6.424  -4.568
  140    HA   SER  24           HA       SER  24  10.119   5.314  -7.224
  141   1HB   SER  24          1HB       SER  24  10.955   3.886  -4.706
  142   2HB   SER  24          2HB       SER  24  11.770   3.933  -6.270
  143    HG   SER  24           HG       SER  24  12.859   5.282  -4.876
  144    H    GLY  25           H        GLY  25   7.604   5.058  -7.256
  145   1HA   GLY  25          1HA       GLY  25   5.711   3.675  -7.197
  146   2HA   GLY  25          2HA       GLY  25   6.862   2.351  -7.342
  147    H    GLN  26           H        GLN  26   6.908   4.526  -4.574
  148    HA   GLN  26           HA       GLN  26   6.859   2.452  -2.634
  149   1HB   GLN  26          1HB       GLN  26   7.346   5.058  -2.569
  150   2HB   GLN  26          2HB       GLN  26   5.641   5.155  -2.123
  151   1HG   GLN  26          1HG       GLN  26   6.905   5.002  -0.076
  152   2HG   GLN  26          2HG       GLN  26   6.118   3.443  -0.319
  153   1HE2  GLN  26          1HE2      GLN  26   9.238   5.091  -1.089
  154   2HE2  GLN  26          2HE2      GLN  26  10.188   3.697  -0.903
  155    H    ARG  27           H        ARG  27   5.174   0.965  -3.160
  156    HA   ARG  27           HA       ARG  27   2.469   1.697  -3.712
  157   1HB   ARG  27          1HB       ARG  27   4.092  -0.675  -3.287
  158   2HB   ARG  27          2HB       ARG  27   2.484  -0.867  -2.596
  159   1HG   ARG  27          1HG       ARG  27   1.860   0.317  -4.951
  160   2HG   ARG  27          2HG       ARG  27   3.300  -0.582  -5.429
  161   1HD   ARG  27          1HD       ARG  27   1.736  -2.307  -3.782
  162   2HD   ARG  27          2HD       ARG  27   0.654  -1.600  -4.997
  163    HE   ARG  27           HE       ARG  27   3.214  -2.408  -6.126
  164   1HH1  ARG  27          1HH1      ARG  27   0.053  -3.506  -5.165
  165   2HH1  ARG  27          2HH1      ARG  27   0.064  -4.844  -6.261
  166   1HH2  ARG  27          1HH2      ARG  27   3.205  -4.152  -7.539
  167   2HH2  ARG  27          2HH2      ARG  27   1.834  -5.208  -7.596
  168    H    TYR  28           H        TYR  28   1.800   3.201  -2.044
  169    HA   TYR  28           HA       TYR  28   1.553   2.005   0.669
  170   1HB   TYR  28          1HB       TYR  28   1.474   4.210   1.473
  171   2HB   TYR  28          2HB       TYR  28   2.497   4.404   0.055
  172    HD1  TYR  28           HD1      TYR  28   1.885   5.880  -1.671
  173    HD2  TYR  28           HD2      TYR  28  -1.052   4.635   1.198
  174    HE1  TYR  28           HE1      TYR  28   0.284   7.514  -2.605
  175    HE2  TYR  28           HE2      TYR  28  -2.654   6.261   0.268
  176    HH   TYR  28           HH       TYR  28  -1.786   8.780  -1.712
  177    H    PHE  29           H        PHE  29  -0.305   1.048   1.147
  178    HA   PHE  29           HA       PHE  29  -2.490   1.193  -0.747
  179   1HB   PHE  29          1HB       PHE  29  -1.864  -0.326   1.764
  180   2HB   PHE  29          2HB       PHE  29  -3.393  -0.535   0.894
  181    HD1  PHE  29           HD1      PHE  29  -3.463  -1.548  -1.279
  182    HD2  PHE  29           HD2      PHE  29   0.307  -0.723   0.593
  183    HE1  PHE  29           HE1      PHE  29  -2.307  -2.847  -3.039
  184    HE2  PHE  29           HE2      PHE  29   1.463  -2.024  -1.164
  185    HZ   PHE  29           HZ       PHE  29   0.155  -3.085  -2.984
  186    H    LEU  30           H        LEU  30  -4.356   2.131  -0.583
  187    HA   LEU  30           HA       LEU  30  -4.774   4.201   1.464
  188   1HB   LEU  30          1HB       LEU  30  -5.757   3.400  -1.251
  189   2HB   LEU  30          2HB       LEU  30  -6.680   4.589  -0.320
  190    HG   LEU  30           HG       LEU  30  -3.705   4.882  -0.620
  191   1HD1  LEU  30          1HD1      LEU  30  -5.806   5.615  -2.675
  192   2HD1  LEU  30          2HD1      LEU  30  -4.401   4.572  -2.903
  193   3HD1  LEU  30          3HD1      LEU  30  -4.183   6.305  -2.654
  194   1HD2  LEU  30          1HD2      LEU  30  -5.117   6.325   0.910
  195   2HD2  LEU  30          2HD2      LEU  30  -5.956   6.920  -0.523
  196   3HD2  LEU  30          3HD2      LEU  30  -4.232   7.233  -0.315
  197    H    ASN  31           H        ASN  31  -5.781   3.403   3.297
  198    HA   ASN  31           HA       ASN  31  -7.615   1.171   3.332
  199   1HB   ASN  31          1HB       ASN  31  -7.176   3.460   5.275
  200   2HB   ASN  31          2HB       ASN  31  -7.935   1.921   5.664
  201   1HD2  ASN  31          1HD2      ASN  31  -6.273   1.319   7.207
  202   2HD2  ASN  31          2HD2      ASN  31  -4.698   0.922   6.719
  203    H    HIS  32           H        HIS  32  -9.641   1.309   2.380
  204    HA   HIS  32           HA       HIS  32 -10.958   3.929   2.054
  205   1HB   HIS  32          1HB       HIS  32 -10.934   1.358   0.818
  206   2HB   HIS  32          2HB       HIS  32 -12.587   1.670   1.348
  207    HD1  HIS  32           HD1      HIS  32 -13.943   3.163  -0.129
  208    HD2  HIS  32           HD2      HIS  32  -9.855   3.653  -0.785
  209    HE1  HIS  32           HE1      HIS  32 -13.717   4.764  -2.079
  210    H    ILE  33           H        ILE  33 -11.588   0.861   3.784
  211    HA   ILE  33           HA       ILE  33 -14.065   1.662   4.984
  212    HB   ILE  33           HB       ILE  33 -13.500  -0.232   6.540
  213   1HG1  ILE  33          1HG1      ILE  33 -11.053  -0.861   4.995
  214   2HG1  ILE  33          2HG1      ILE  33 -10.906   0.503   6.101
  215   1HG2  ILE  33          1HG2      ILE  33 -12.733  -1.629   4.206
  216   2HG2  ILE  33          2HG2      ILE  33 -13.731  -0.279   3.662
  217   3HG2  ILE  33          3HG2      ILE  33 -14.366  -1.425   4.841
  218   1HD1  ILE  33          1HD1      ILE  33 -11.862  -0.947   7.917
  219   2HD1  ILE  33          2HD1      ILE  33 -10.313  -1.525   7.301
  220   3HD1  ILE  33          3HD1      ILE  33 -11.810  -2.307   6.795
  221    H    ASP  34           H        ASP  34 -10.751   2.454   5.702
  222    HA   ASP  34           HA       ASP  34 -11.626   3.764   8.258
  223   1HB   ASP  34          1HB       ASP  34  -8.944   2.625   7.404
  224   2HB   ASP  34          2HB       ASP  34  -9.267   3.397   8.957
  225    H    GLN  35           H        GLN  35 -10.635   4.375   5.079
  226    HA   GLN  35           HA       GLN  35  -9.866   6.323   3.997
  227   1HB   GLN  35          1HB       GLN  35 -10.804   7.538   6.616
  228   2HB   GLN  35          2HB       GLN  35 -10.627   8.386   5.079
  229   1HG   GLN  35          1HG       GLN  35 -12.224   6.154   4.491
  230   2HG   GLN  35          2HG       GLN  35 -12.837   6.756   6.032
  231   1HE2  GLN  35          1HE2      GLN  35 -12.696   9.455   5.900
  232   2HE2  GLN  35          2HE2      GLN  35 -13.509  10.073   4.544
  233    H    THR  36           H        THR  36  -7.653   5.205   4.569
  234    HA   THR  36           HA       THR  36  -5.920   7.298   5.721
  235    HB   THR  36           HB       THR  36  -4.949   5.151   7.104
  236    HG1  THR  36           HG1      THR  36  -6.591   3.924   7.817
  237   1HG2  THR  36          1HG2      THR  36  -6.998   6.330   8.709
  238   2HG2  THR  36          2HG2      THR  36  -6.342   7.575   7.648
  239   3HG2  THR  36          3HG2      THR  36  -5.268   6.675   8.717
  240    H    THR  37           H        THR  37  -3.521   6.119   5.786
  241    HA   THR  37           HA       THR  37  -3.253   4.503   3.280
  242    HB   THR  37           HB       THR  37  -1.473   6.026   2.556
  243    HG1  THR  37           HG1      THR  37  -2.113   7.519   4.879
  244   1HG2  THR  37          1HG2      THR  37  -3.472   8.056   3.303
  245   2HG2  THR  37          2HG2      THR  37  -4.156   6.605   2.572
  246   3HG2  THR  37          3HG2      THR  37  -2.935   7.537   1.705
  247    H    THR  38           H        THR  38  -1.403   3.136   3.258
  248    HA   THR  38           HA       THR  38   0.429   3.180   5.594
  249    HB   THR  38           HB       THR  38  -1.565   1.834   6.225
  250    HG1  THR  38           HG1      THR  38  -0.340  -0.159   6.572
  251   1HG2  THR  38          1HG2      THR  38  -2.287   1.121   4.018
  252   2HG2  THR  38          2HG2      THR  38  -1.947  -0.310   4.992
  253   3HG2  THR  38          3HG2      THR  38  -0.785   0.228   3.778
  254    H    TRP  39           H        TRP  39   2.290   1.674   5.219
  255    HA   TRP  39           HA       TRP  39   2.868   1.445   2.300
  256   1HB   TRP  39          1HB       TRP  39   4.689   1.194   4.717
  257   2HB   TRP  39          2HB       TRP  39   5.192   1.399   3.040
  258    HD1  TRP  39           HD1      TRP  39   4.095   3.304   6.071
  259    HE1  TRP  39           HE1      TRP  39   4.053   5.828   5.553
  260    HE3  TRP  39           HE3      TRP  39   4.696   3.177   0.999
  261    HZ2  TRP  39           HZ2      TRP  39   4.248   7.562   3.290
  262    HZ3  TRP  39           HZ3      TRP  39   4.763   5.281  -0.310
  263    HH2  TRP  39           HH2      TRP  39   4.539   7.474   0.830
  264    H    GLN  40           H        GLN  40   3.485  -0.471   5.276
  265    HA   GLN  40           HA       GLN  40   4.207  -2.904   4.070
  266   1HB   GLN  40          1HB       GLN  40   3.681  -1.901   6.604
  267   2HB   GLN  40          2HB       GLN  40   2.470  -3.168   6.419
  268   1HG   GLN  40          1HG       GLN  40   4.060  -4.848   6.229
  269   2HG   GLN  40          2HG       GLN  40   5.290  -3.754   5.594
  270   1HE2  GLN  40          1HE2      GLN  40   5.232  -5.643   8.056
  271   2HE2  GLN  40          2HE2      GLN  40   5.740  -4.647   9.335
  272    H    ASP  41           H        ASP  41   2.975  -3.586   2.290
  273    HA   ASP  41           HA       ASP  41   0.197  -3.403   1.914
  274   1HB   ASP  41          1HB       ASP  41   2.032  -4.132   0.319
  275   2HB   ASP  41          2HB       ASP  41   1.979  -5.715   1.096
  276    HA   PRO  42           HA       PRO  42  -1.240  -6.215   5.055
  277   1HB   PRO  42          1HB       PRO  42  -3.856  -6.357   4.268
  278   2HB   PRO  42          2HB       PRO  42  -3.179  -4.963   5.131
  279   1HG   PRO  42          1HG       PRO  42  -3.760  -5.309   2.232
  280   2HG   PRO  42          2HG       PRO  42  -3.949  -3.880   3.256
  281   1HD   PRO  42          1HD       PRO  42  -1.864  -4.266   1.516
  282   2HD   PRO  42          2HD       PRO  42  -1.778  -3.233   2.958
  283    H    ARG  43           H        ARG  43   0.204  -7.652   3.311
  284    HA   ARG  43           HA       ARG  43  -1.195 -10.156   3.058
  285   1HB   ARG  43          1HB       ARG  43  -1.601  -8.209   1.006
  286   2HB   ARG  43          2HB       ARG  43  -0.629  -9.511   0.321
  287   1HG   ARG  43          1HG       ARG  43  -2.371 -10.953   0.353
  288   2HG   ARG  43          2HG       ARG  43  -2.795 -10.517   2.009
  289   1HD   ARG  43          1HD       ARG  43  -3.798  -8.363   1.033
  290   2HD   ARG  43          2HD       ARG  43  -3.642  -9.140  -0.555
  291    HE   ARG  43           HE       ARG  43  -5.375 -10.631   0.067
  292   1HH1  ARG  43          1HH1      ARG  43  -4.073  -9.002   2.854
  293   2HH1  ARG  43          2HH1      ARG  43  -5.268  -9.644   3.925
  294   1HH2  ARG  43          1HH2      ARG  43  -6.917 -11.451   1.479
  295   2HH2  ARG  43          2HH2      ARG  43  -6.868 -11.020   3.156
  296    H    LYS  44           H        LYS  44   1.096  -8.708   0.742
  297    HA   LYS  44           HA       LYS  44   3.308  -9.346   0.197
  298   1HB   LYS  44          1HB       LYS  44   3.239  -8.461   2.695
  299   2HB   LYS  44          2HB       LYS  44   3.622 -10.140   3.074
  300   1HG   LYS  44          1HG       LYS  44   5.777  -9.478   2.741
  301   2HG   LYS  44          2HG       LYS  44   5.376  -9.650   1.033
  302   1HD   LYS  44          1HD       LYS  44   4.697  -7.258   0.977
  303   2HD   LYS  44          2HD       LYS  44   5.171  -7.101   2.669
  304   1HE   LYS  44          1HE       LYS  44   7.369  -8.307   1.318
  305   2HE   LYS  44          2HE       LYS  44   6.844  -6.927   0.334
  306   1HZ   LYS  44          1HZ       LYS  44   8.399  -6.413   2.258
  307   2HZ   LYS  44          2HZ       LYS  44   7.095  -6.774   3.287
  308   3HZ   LYS  44          3HZ       LYS  44   6.976  -5.492   2.178
  309    H    GLY   3           H        GLY   3   5.922   8.818   5.473
  310   1HA   GLY   3          1HA       GLY   3   5.124  11.265   6.624
  311   2HA   GLY   3          2HA       GLY   3   5.537  11.611   4.943
  312    HA   PRO   4           HA       PRO   4   1.336   9.373   5.454
  313   1HB   PRO   4          1HB       PRO   4  -0.388  11.452   5.893
  314   2HB   PRO   4          2HB       PRO   4   0.351  10.512   7.203
  315   1HG   PRO   4          1HG       PRO   4   1.104  13.187   6.125
  316   2HG   PRO   4          2HG       PRO   4   1.079  12.614   7.799
  317   1HD   PRO   4          1HD       PRO   4   3.356  12.827   6.306
  318   2HD   PRO   4          2HD       PRO   4   3.158  11.664   7.632
  319    HA   PRO   5           HA       PRO   5   1.298  10.953   1.209
  320   1HB   PRO   5          1HB       PRO   5  -0.020   8.805   0.135
  321   2HB   PRO   5          2HB       PRO   5   1.722   8.803   0.471
  322   1HG   PRO   5          1HG       PRO   5  -0.524   7.654   2.069
  323   2HG   PRO   5          2HG       PRO   5   1.074   6.974   1.725
  324   1HD   PRO   5          1HD       PRO   5   0.454   8.162   4.085
  325   2HD   PRO   5          2HD       PRO   5   2.089   8.194   3.393
  326    HA   PRO   6           HA       PRO   6  -2.800  12.591   1.190
  327   1HB   PRO   6          1HB       PRO   6  -3.131  13.138  -1.473
  328   2HB   PRO   6          2HB       PRO   6  -2.091  14.104  -0.408
  329   1HG   PRO   6          1HG       PRO   6  -1.359  11.977  -2.362
  330   2HG   PRO   6          2HG       PRO   6  -0.535  13.498  -1.993
  331   1HD   PRO   6          1HD       PRO   6   0.273  11.067  -1.044
  332   2HD   PRO   6          2HD       PRO   6   0.579  12.601  -0.203
  333    H    TYR   7           H        TYR   7  -4.844  11.668   1.106
  334    HA   TYR   7           HA       TYR   7  -5.126   9.017  -0.156
  335   1HB   TYR   7          1HB       TYR   7  -5.915   9.816   2.178
  336   2HB   TYR   7          2HB       TYR   7  -7.225  10.620   1.312
  337    HD1  TYR   7           HD1      TYR   7  -6.163   7.571   2.801
  338    HD2  TYR   7           HD2      TYR   7  -8.533   9.138  -0.422
  339    HE1  TYR   7           HE1      TYR   7  -7.387   5.422   2.654
  340    HE2  TYR   7           HE2      TYR   7  -9.756   6.986  -0.566
  341    HH   TYR   7           HH       TYR   7  -8.684   4.170   0.838
  342   1HN   NH2   8          1HN       NH2   8  -7.051  12.086  -0.280
  343   2HN   NH2   8          2HN       NH2   8  -7.608  11.848  -1.865
  344   1H1   OCT   2          1H1       OCT   2   8.169  10.420   6.098
  345   2H1   OCT   2          2H1       OCT   2   7.498  11.043   4.579
  346   1H2   OCT   2          1H2       OCT   2   7.369   8.446   3.990
  347   2H2   OCT   2          2H2       OCT   2   8.669   8.343   5.178
  348   1H3   OCT   2          1H3       OCT   2   9.618   8.648   2.942
  349   2H3   OCT   2          2H3       OCT   2   9.916  10.092   3.912
  350   1H4   OCT   2          1H4       OCT   2   7.401  10.496   2.710
  351   2H4   OCT   2          2H4       OCT   2   8.425   9.825   1.440
  352   1H5   OCT   2          1H5       OCT   2   9.237  11.925   1.198
  353   2H5   OCT   2          2H5       OCT   2  10.090  11.648   2.717
  354   1H6   OCT   2          1H6       OCT   2   8.504  12.813   3.970
  355   2H6   OCT   2          2H6       OCT   2   7.227  12.552   2.781
  356   1H7   OCT   2          1H7       OCT   2   7.750  14.460   1.689
  357   2H7   OCT   2          2H7       OCT   2   9.463  14.042   1.651
  358   1H8   OCT   2          1H8       OCT   2   8.653  16.153   3.008
  359   2H8   OCT   2          2H8       OCT   2   9.897  15.101   3.684
  360   3H8   OCT   2          3H8       OCT   2   8.229  14.956   4.232
  Start of MODEL   17
    1    H    PHE   5           H        PHE   5   9.743  -5.606  -7.477
    2    HA   PHE   5           HA       PHE   5   9.868  -8.423  -8.116
    3   1HB   PHE   5          1HB       PHE   5  10.223  -6.880  -5.919
    4   2HB   PHE   5          2HB       PHE   5   8.591  -7.469  -5.604
    5    HD1  PHE   5           HD1      PHE   5   8.148  -9.952  -5.586
    6    HD2  PHE   5           HD2      PHE   5  12.117  -8.318  -5.723
    7    HE1  PHE   5           HE1      PHE   5   9.072 -12.138  -4.870
    8    HE2  PHE   5           HE2      PHE   5  13.042 -10.505  -5.007
    9    HZ   PHE   5           HZ       PHE   5  11.520 -12.415  -4.580
   10    H    GLU   6           H        GLU   6   7.292  -6.091  -8.108
   11    HA   GLU   6           HA       GLU   6   4.970  -6.325  -8.476
   12   1HB   GLU   6          1HB       GLU   6   6.449  -8.013 -10.158
   13   2HB   GLU   6          2HB       GLU   6   5.146  -9.030  -9.544
   14   1HG   GLU   6          1HG       GLU   6   4.453  -7.856 -11.603
   15   2HG   GLU   6          2HG       GLU   6   3.496  -7.320 -10.221
   16    H    ILE   7           H        ILE   7   3.390  -8.693  -8.417
   17    HA   ILE   7           HA       ILE   7   3.453  -9.271  -5.498
   18    HB   ILE   7           HB       ILE   7   1.374  -9.815  -7.645
   19   1HG1  ILE   7          1HG1      ILE   7   1.857  -7.403  -7.372
   20   2HG1  ILE   7          2HG1      ILE   7   0.255  -7.802  -6.754
   21   1HG2  ILE   7          1HG2      ILE   7   1.171 -11.223  -5.614
   22   2HG2  ILE   7          2HG2      ILE   7  -0.159 -10.070  -5.740
   23   3HG2  ILE   7          3HG2      ILE   7   1.167  -9.766  -4.618
   24   1HD1  ILE   7          1HD1      ILE   7   2.777  -7.487  -5.096
   25   2HD1  ILE   7          2HD1      ILE   7   1.197  -7.945  -4.461
   26   3HD1  ILE   7          3HD1      ILE   7   1.434  -6.346  -5.167
   27    HA   PRO   8           HA       PRO   8   4.956 -13.351  -6.327
   28   1HB   PRO   8          1HB       PRO   8   4.236 -14.555  -3.978
   29   2HB   PRO   8          2HB       PRO   8   5.605 -13.435  -4.109
   30   1HG   PRO   8          1HG       PRO   8   2.852 -12.961  -3.080
   31   2HG   PRO   8          2HG       PRO   8   4.398 -12.336  -2.492
   32   1HD   PRO   8          1HD       PRO   8   2.641 -10.892  -4.021
   33   2HD   PRO   8          2HD       PRO   8   4.391 -10.590  -3.968
   34    H    ASP   9           H        ASP   9   1.771 -13.300  -4.666
   35    HA   ASP   9           HA       ASP   9   0.906 -15.610  -6.341
   36   1HB   ASP   9          1HB       ASP   9   0.742 -15.307  -3.733
   37   2HB   ASP   9          2HB       ASP   9  -0.667 -14.320  -4.123
   38    H    ASP  10           H        ASP  10   1.081 -12.590  -7.119
   39    HA   ASP  10           HA       ASP  10  -0.221 -11.081  -8.390
   40   1HB   ASP  10          1HB       ASP  10  -0.332 -13.437  -9.529
   41   2HB   ASP  10          2HB       ASP  10  -1.996 -13.452  -8.945
   42    H    VAL  11           H        VAL  11  -1.056 -11.829  -5.506
   43    HA   VAL  11           HA       VAL  11  -3.966 -11.591  -5.481
   44    HB   VAL  11           HB       VAL  11  -2.633 -12.790  -3.772
   45   1HG1  VAL  11          1HG1      VAL  11  -1.726 -10.370  -2.394
   46   2HG1  VAL  11          2HG1      VAL  11  -0.955 -10.588  -3.965
   47   3HG1  VAL  11          3HG1      VAL  11  -0.844 -11.856  -2.744
   48   1HG2  VAL  11          1HG2      VAL  11  -3.650 -11.666  -1.751
   49   2HG2  VAL  11          2HG2      VAL  11  -4.793 -11.970  -3.060
   50   3HG2  VAL  11          3HG2      VAL  11  -4.149 -10.347  -2.812
   51    HA   PRO  12           HA       PRO  12  -3.900  -7.161  -5.803
   52   1HB   PRO  12          1HB       PRO  12  -6.514  -6.681  -5.143
   53   2HB   PRO  12          2HB       PRO  12  -6.008  -7.299  -6.726
   54   1HG   PRO  12          1HG       PRO  12  -7.180  -8.745  -4.406
   55   2HG   PRO  12          2HG       PRO  12  -7.431  -8.999  -6.138
   56   1HD   PRO  12          1HD       PRO  12  -5.802 -10.551  -4.556
   57   2HD   PRO  12          2HD       PRO  12  -5.627 -10.383  -6.315
   58    H    LEU  13           H        LEU  13  -6.376  -7.373  -3.301
   59    HA   LEU  13           HA       LEU  13  -4.614  -7.037  -1.030
   60   1HB   LEU  13          1HB       LEU  13  -4.967  -4.841  -2.768
   61   2HB   LEU  13          2HB       LEU  13  -5.949  -4.479  -1.352
   62    HG   LEU  13           HG       LEU  13  -3.639  -5.507  -0.231
   63   1HD1  LEU  13          1HD1      LEU  13  -1.989  -3.834  -1.520
   64   2HD1  LEU  13          2HD1      LEU  13  -3.028  -4.284  -2.870
   65   3HD1  LEU  13          3HD1      LEU  13  -2.155  -5.527  -1.973
   66   1HD2  LEU  13          1HD2      LEU  13  -3.129  -2.831  -0.216
   67   2HD2  LEU  13          2HD2      LEU  13  -4.299  -3.605   0.846
   68   3HD2  LEU  13          3HD2      LEU  13  -4.838  -2.834  -0.646
   69    HA   PRO  14           HA       PRO  14  -8.537  -7.423   0.967
   70   1HB   PRO  14          1HB       PRO  14  -8.681  -5.574   2.978
   71   2HB   PRO  14          2HB       PRO  14  -7.574  -6.958   3.004
   72   1HG   PRO  14          1HG       PRO  14  -7.007  -4.114   2.603
   73   2HG   PRO  14          2HG       PRO  14  -5.923  -5.421   3.093
   74   1HD   PRO  14          1HD       PRO  14  -6.209  -4.219   0.511
   75   2HD   PRO  14          2HD       PRO  14  -5.095  -5.509   0.997
   76    H    ALA  15           H        ALA  15 -10.745  -6.504   1.490
   77    HA   ALA  15           HA       ALA  15 -11.676  -4.763  -0.626
   78   1HB   ALA  15          1HB       ALA  15 -13.000  -5.711   1.938
   79   2HB   ALA  15          2HB       ALA  15 -12.951  -6.621   0.428
   80   3HB   ALA  15          3HB       ALA  15 -13.835  -5.097   0.511
   81    H    GLY  16           H        GLY  16 -12.886  -2.700  -0.184
   82   1HA   GLY  16          1HA       GLY  16 -12.859  -0.489   0.621
   83   2HA   GLY  16          2HA       GLY  16 -12.776  -1.230   2.221
   84    H    TRP  17           H        TRP  17 -10.307  -1.779  -0.207
   85    HA   TRP  17           HA       TRP  17  -8.458   0.077   1.241
   86   1HB   TRP  17          1HB       TRP  17  -8.498  -2.860   1.079
   87   2HB   TRP  17          2HB       TRP  17  -6.935  -2.153   0.674
   88    HD1  TRP  17           HD1      TRP  17  -9.383  -2.597   3.540
   89    HE1  TRP  17           HE1      TRP  17  -8.247  -1.868   5.737
   90    HE3  TRP  17           HE3      TRP  17  -5.101  -0.545   1.670
   91    HZ2  TRP  17           HZ2      TRP  17  -5.832  -0.583   6.585
   92    HZ3  TRP  17           HZ3      TRP  17  -3.400   0.422   3.191
   93    HH2  TRP  17           HH2      TRP  17  -3.760   0.406   5.641
   94    H    GLU  18           H        GLU  18  -8.371   1.479  -0.620
   95    HA   GLU  18           HA       GLU  18  -7.756   0.387  -3.277
   96   1HB   GLU  18          1HB       GLU  18  -9.046   2.559  -2.565
   97   2HB   GLU  18          2HB       GLU  18  -7.437   3.262  -2.395
   98   1HG   GLU  18          1HG       GLU  18  -7.290   3.557  -4.610
   99   2HG   GLU  18          2HG       GLU  18  -7.554   1.833  -4.878
  100    H    MET  19           H        MET  19  -5.718   1.764  -4.307
  101    HA   MET  19           HA       MET  19  -3.458   1.743  -2.375
  102   1HB   MET  19          1HB       MET  19  -2.196   0.287  -3.887
  103   2HB   MET  19          2HB       MET  19  -3.646  -0.496  -3.302
  104   1HG   MET  19          1HG       MET  19  -3.893   1.023  -5.841
  105   2HG   MET  19          2HG       MET  19  -2.988  -0.490  -5.899
  106   1HE   MET  19          1HE       MET  19  -3.667  -2.506  -4.718
  107   2HE   MET  19          2HE       MET  19  -5.298  -3.173  -4.708
  108   3HE   MET  19          3HE       MET  19  -4.773  -2.131  -3.388
  109    H    ALA  20           H        ALA  20  -1.508   2.738  -3.346
  110    HA   ALA  20           HA       ALA  20  -1.668   4.118  -5.890
  111   1HB   ALA  20          1HB       ALA  20  -1.768   6.406  -4.627
  112   2HB   ALA  20          2HB       ALA  20  -2.420   5.455  -3.292
  113   3HB   ALA  20          3HB       ALA  20  -3.267   5.501  -4.837
  114    H    LYS  21           H        LYS  21   0.388   4.953  -6.423
  115    HA   LYS  21           HA       LYS  21   2.532   4.369  -4.442
  116   1HB   LYS  21          1HB       LYS  21   3.969   4.332  -6.428
  117   2HB   LYS  21          2HB       LYS  21   2.543   3.339  -6.717
  118   1HG   LYS  21          1HG       LYS  21   1.495   5.117  -7.999
  119   2HG   LYS  21          2HG       LYS  21   2.801   6.231  -7.592
  120   1HD   LYS  21          1HD       LYS  21   3.116   3.666  -9.180
  121   2HD   LYS  21          2HD       LYS  21   3.092   5.291  -9.864
  122   1HE   LYS  21          1HE       LYS  21   5.073   5.853  -8.388
  123   2HE   LYS  21          2HE       LYS  21   5.156   4.133  -7.960
  124   1HZ   LYS  21          1HZ       LYS  21   5.309   5.321 -10.683
  125   2HZ   LYS  21          2HZ       LYS  21   5.154   3.655 -10.389
  126   3HZ   LYS  21          3HZ       LYS  21   6.540   4.488  -9.867
  127    H    THR  22           H        THR  22   3.893   5.992  -3.679
  128    HA   THR  22           HA       THR  22   3.353   8.767  -4.703
  129    HB   THR  22           HB       THR  22   2.378   8.306  -2.488
  130    HG1  THR  22           HG1      THR  22   3.447  10.348  -2.989
  131   1HG2  THR  22          1HG2      THR  22   5.188   7.391  -1.918
  132   2HG2  THR  22          2HG2      THR  22   3.670   6.550  -1.604
  133   3HG2  THR  22          3HG2      THR  22   4.132   7.935  -0.615
  134    H    SER  23           H        SER  23   5.586   6.596  -5.157
  135    HA   SER  23           HA       SER  23   7.771   8.456  -5.443
  136   1HB   SER  23          1HB       SER  23   7.320   7.331  -2.852
  137   2HB   SER  23          2HB       SER  23   8.806   6.633  -3.493
  138    HG   SER  23           HG       SER  23   8.158   9.383  -3.272
  139    H    SER  24           H        SER  24   9.908   6.589  -5.100
  140    HA   SER  24           HA       SER  24   9.759   5.105  -7.557
  141   1HB   SER  24          1HB       SER  24  11.631   4.726  -5.200
  142   2HB   SER  24          2HB       SER  24  11.968   4.366  -6.893
  143    HG   SER  24           HG       SER  24  12.848   6.328  -6.554
  144    H    GLY  25           H        GLY  25   7.634   3.972  -6.927
  145   1HA   GLY  25          1HA       GLY  25   6.778   1.755  -6.700
  146   2HA   GLY  25          2HA       GLY  25   8.288   1.275  -5.930
  147    H    GLN  26           H        GLN  26   6.951   4.181  -4.673
  148    HA   GLN  26           HA       GLN  26   6.502   2.930  -2.083
  149   1HB   GLN  26          1HB       GLN  26   6.558   5.606  -3.326
  150   2HB   GLN  26          2HB       GLN  26   5.432   5.463  -1.975
  151   1HG   GLN  26          1HG       GLN  26   7.762   4.111  -1.154
  152   2HG   GLN  26          2HG       GLN  26   8.327   5.590  -1.927
  153   1HE2  GLN  26          1HE2      GLN  26   7.541   4.463   1.055
  154   2HE2  GLN  26          2HE2      GLN  26   6.931   5.878   1.764
  155    H    ARG  27           H        ARG  27   4.860   1.450  -3.502
  156    HA   ARG  27           HA       ARG  27   2.232   2.479  -4.071
  157   1HB   ARG  27          1HB       ARG  27   1.654  -0.002  -3.940
  158   2HB   ARG  27          2HB       ARG  27   2.958   0.391  -5.046
  159   1HG   ARG  27          1HG       ARG  27   4.457  -0.807  -3.848
  160   2HG   ARG  27          2HG       ARG  27   3.923  -0.081  -2.332
  161   1HD   ARG  27          1HD       ARG  27   2.759  -1.945  -1.814
  162   2HD   ARG  27          2HD       ARG  27   1.878  -1.857  -3.351
  163    HE   ARG  27           HE       ARG  27   3.414  -3.421  -4.246
  164   1HH1  ARG  27          1HH1      ARG  27   4.685  -1.953  -1.357
  165   2HH1  ARG  27          2HH1      ARG  27   6.080  -2.974  -1.319
  166   1HH2  ARG  27          1HH2      ARG  27   5.232  -4.736  -4.175
  167   2HH2  ARG  27          2HH2      ARG  27   6.390  -4.538  -2.901
  168    H    TYR  28           H        TYR  28   1.882   3.755  -2.010
  169    HA   TYR  28           HA       TYR  28   1.552   2.232   0.463
  170   1HB   TYR  28          1HB       TYR  28   0.989   4.360   1.406
  171   2HB   TYR  28          2HB       TYR  28   2.217   4.700   0.191
  172    HD1  TYR  28           HD1      TYR  28   1.673   5.874  -1.857
  173    HD2  TYR  28           HD2      TYR  28  -1.367   4.896   1.006
  174    HE1  TYR  28           HE1      TYR  28   0.105   7.403  -3.005
  175    HE2  TYR  28           HE2      TYR  28  -2.930   6.425  -0.131
  176    HH   TYR  28           HH       TYR  28  -2.286   7.759  -3.229
  177    H    PHE  29           H        PHE  29  -0.376   1.446   1.294
  178    HA   PHE  29           HA       PHE  29  -2.511   1.225  -0.716
  179   1HB   PHE  29          1HB       PHE  29  -1.689  -0.243   1.775
  180   2HB   PHE  29          2HB       PHE  29  -3.252  -0.564   0.997
  181    HD1  PHE  29           HD1      PHE  29  -3.089  -0.550  -1.639
  182    HD2  PHE  29           HD2      PHE  29   0.141  -1.544   0.973
  183    HE1  PHE  29           HE1      PHE  29  -1.970  -1.725  -3.513
  184    HE2  PHE  29           HE2      PHE  29   1.271  -2.742  -0.886
  185    HZ   PHE  29           HZ       PHE  29   0.217  -2.827  -3.134
  186    H    LEU  30           H        LEU  30  -4.168   2.380  -0.722
  187    HA   LEU  30           HA       LEU  30  -4.868   4.327   1.293
  188   1HB   LEU  30          1HB       LEU  30  -5.895   3.284  -1.328
  189   2HB   LEU  30          2HB       LEU  30  -6.828   4.495  -0.438
  190    HG   LEU  30           HG       LEU  30  -3.893   4.910  -0.873
  191   1HD1  LEU  30          1HD1      LEU  30  -4.207   4.679  -3.107
  192   2HD1  LEU  30          2HD1      LEU  30  -4.977   6.260  -2.982
  193   3HD1  LEU  30          3HD1      LEU  30  -5.960   4.795  -2.975
  194   1HD2  LEU  30          1HD2      LEU  30  -6.257   6.820  -0.939
  195   2HD2  LEU  30          2HD2      LEU  30  -4.554   7.252  -0.798
  196   3HD2  LEU  30          3HD2      LEU  30  -5.368   6.428   0.532
  197    H    ASN  31           H        ASN  31  -5.790   3.589   3.187
  198    HA   ASN  31           HA       ASN  31  -7.502   1.232   3.320
  199   1HB   ASN  31          1HB       ASN  31  -5.928   2.262   5.085
  200   2HB   ASN  31          2HB       ASN  31  -7.198   3.456   5.350
  201   1HD2  ASN  31          1HD2      ASN  31  -6.944   2.157   7.596
  202   2HD2  ASN  31          2HD2      ASN  31  -8.027   0.865   7.788
  203    H    HIS  32           H        HIS  32  -9.342   1.632   1.980
  204    HA   HIS  32           HA       HIS  32 -10.862   4.118   2.150
  205   1HB   HIS  32          1HB       HIS  32 -10.609   1.871   0.463
  206   2HB   HIS  32          2HB       HIS  32 -12.272   1.838   1.046
  207    HD1  HIS  32           HD1      HIS  32 -13.630   4.172   0.742
  208    HD2  HIS  32           HD2      HIS  32 -10.141   3.774  -1.507
  209    HE1  HIS  32           HE1      HIS  32 -13.748   5.927  -1.082
  210    H    ILE  33           H        ILE  33 -11.004   0.931   3.646
  211    HA   ILE  33           HA       ILE  33 -13.681   1.099   4.673
  212    HB   ILE  33           HB       ILE  33 -12.132  -0.899   4.373
  213   1HG1  ILE  33          1HG1      ILE  33 -14.289  -0.926   5.673
  214   2HG1  ILE  33          2HG1      ILE  33 -13.116  -2.133   6.189
  215   1HG2  ILE  33          1HG2      ILE  33 -10.525   0.581   6.189
  216   2HG2  ILE  33          2HG2      ILE  33 -10.188  -0.992   5.474
  217   3HG2  ILE  33          3HG2      ILE  33 -11.033  -0.887   7.018
  218   1HD1  ILE  33          1HD1      ILE  33 -13.389  -1.330   8.277
  219   2HD1  ILE  33          2HD1      ILE  33 -14.268   0.081   7.692
  220   3HD1  ILE  33          3HD1      ILE  33 -12.508   0.102   7.752
  221    H    ASP  34           H        ASP  34 -10.691   2.592   5.645
  222    HA   ASP  34           HA       ASP  34 -12.104   3.838   7.962
  223   1HB   ASP  34          1HB       ASP  34 -10.695   1.816   8.598
  224   2HB   ASP  34          2HB       ASP  34  -9.285   2.729   8.061
  225    H    GLN  35           H        GLN  35 -10.904   4.543   5.131
  226    HA   GLN  35           HA       GLN  35  -9.755   6.369   4.167
  227   1HB   GLN  35          1HB       GLN  35 -10.607   7.569   6.821
  228   2HB   GLN  35          2HB       GLN  35 -10.246   8.465   5.344
  229   1HG   GLN  35          1HG       GLN  35 -12.172   6.385   4.786
  230   2HG   GLN  35          2HG       GLN  35 -12.740   7.386   6.123
  231   1HE2  GLN  35          1HE2      GLN  35 -12.862   7.195   2.806
  232   2HE2  GLN  35          2HE2      GLN  35 -13.056   8.840   2.435
  233    H    THR  36           H        THR  36  -7.630   5.231   4.438
  234    HA   THR  36           HA       THR  36  -5.787   6.864   6.068
  235    HB   THR  36           HB       THR  36  -5.642   3.902   6.484
  236    HG1  THR  36           HG1      THR  36  -7.061   4.372   8.364
  237   1HG2  THR  36          1HG2      THR  36  -5.302   5.318   8.869
  238   2HG2  THR  36          2HG2      THR  36  -4.574   6.346   7.636
  239   3HG2  THR  36          3HG2      THR  36  -4.021   4.684   7.836
  240    H    THR  37           H        THR  37  -3.473   5.572   5.830
  241    HA   THR  37           HA       THR  37  -3.200   4.351   3.146
  242    HB   THR  37           HB       THR  37  -1.577   6.136   2.477
  243    HG1  THR  37           HG1      THR  37  -2.597   7.488   4.748
  244   1HG2  THR  37          1HG2      THR  37  -3.228   7.701   1.817
  245   2HG2  THR  37          2HG2      THR  37  -4.210   7.394   3.250
  246   3HG2  THR  37          3HG2      THR  37  -4.099   6.176   1.979
  247    H    THR  38           H        THR  38  -1.967   2.585   3.720
  248    HA   THR  38           HA       THR  38   0.232   2.977   5.712
  249    HB   THR  38           HB       THR  38  -1.585   1.292   6.120
  250    HG1  THR  38           HG1      THR  38  -0.130   0.104   7.048
  251   1HG2  THR  38          1HG2      THR  38  -1.394   0.754   3.455
  252   2HG2  THR  38          2HG2      THR  38  -2.120  -0.343   4.628
  253   3HG2  THR  38          3HG2      THR  38  -0.446  -0.571   4.128
  254    H    TRP  39           H        TRP  39   2.123   1.313   5.192
  255    HA   TRP  39           HA       TRP  39   2.853   1.697   2.309
  256   1HB   TRP  39          1HB       TRP  39   4.581   1.366   4.785
  257   2HB   TRP  39          2HB       TRP  39   5.160   1.735   3.162
  258    HD1  TRP  39           HD1      TRP  39   3.691   3.313   6.231
  259    HE1  TRP  39           HE1      TRP  39   3.469   5.857   5.879
  260    HE3  TRP  39           HE3      TRP  39   4.671   3.600   1.227
  261    HZ2  TRP  39           HZ2      TRP  39   3.681   7.763   3.756
  262    HZ3  TRP  39           HZ3      TRP  39   4.654   5.789   0.066
  263    HH2  TRP  39           HH2      TRP  39   4.161   7.869   1.324
  264    H    GLN  40           H        GLN  40   3.146  -0.559   5.066
  265    HA   GLN  40           HA       GLN  40   4.374  -2.725   3.709
  266   1HB   GLN  40          1HB       GLN  40   2.422  -2.517   6.016
  267   2HB   GLN  40          2HB       GLN  40   3.183  -4.040   5.555
  268   1HG   GLN  40          1HG       GLN  40   5.391  -3.127   5.949
  269   2HG   GLN  40          2HG       GLN  40   4.726  -1.514   6.209
  270   1HE2  GLN  40          1HE2      GLN  40   2.821  -1.643   8.023
  271   2HE2  GLN  40          2HE2      GLN  40   3.266  -2.491   9.425
  272    H    ASP  41           H        ASP  41   2.686  -4.909   3.882
  273    HA   ASP  41           HA       ASP  41   0.438  -4.258   2.011
  274   1HB   ASP  41          1HB       ASP  41   1.089  -6.298   0.765
  275   2HB   ASP  41          2HB       ASP  41   2.412  -5.137   0.826
  276    HA   PRO  42           HA       PRO  42  -1.492  -6.614   5.357
  277   1HB   PRO  42          1HB       PRO  42  -4.071  -6.075   4.611
  278   2HB   PRO  42          2HB       PRO  42  -3.075  -4.943   5.546
  279   1HG   PRO  42          1HG       PRO  42  -3.693  -4.967   2.629
  280   2HG   PRO  42          2HG       PRO  42  -3.591  -3.599   3.746
  281   1HD   PRO  42          1HD       PRO  42  -1.602  -4.262   2.008
  282   2HD   PRO  42          2HD       PRO  42  -1.305  -3.465   3.566
  283    H    ARG  43           H        ARG  43  -1.690  -6.972   1.926
  284    HA   ARG  43           HA       ARG  43  -2.980  -9.661   2.255
  285   1HB   ARG  43          1HB       ARG  43  -4.291  -8.057   0.952
  286   2HB   ARG  43          2HB       ARG  43  -2.896  -7.714  -0.070
  287   1HG   ARG  43          1HG       ARG  43  -3.154  -9.630  -1.277
  288   2HG   ARG  43          2HG       ARG  43  -3.615 -10.574   0.139
  289   1HD   ARG  43          1HD       ARG  43  -5.773  -8.902  -0.092
  290   2HD   ARG  43          2HD       ARG  43  -5.329  -9.133  -1.792
  291    HE   ARG  43           HE       ARG  43  -5.276 -11.607  -0.230
  292   1HH1  ARG  43          1HH1      ARG  43  -7.232  -9.426  -2.111
  293   2HH1  ARG  43          2HH1      ARG  43  -8.392 -10.644  -2.519
  294   1HH2  ARG  43          1HH2      ARG  43  -6.795 -13.169  -0.772
  295   2HH2  ARG  43          2HH2      ARG  43  -8.148 -12.747  -1.767
  296    H    LYS  44           H        LYS  44  -0.795  -7.970  -0.038
  297    HA   LYS  44           HA       LYS  44   0.473 -10.231  -1.129
  298   1HB   LYS  44          1HB       LYS  44   0.597  -7.671  -1.630
  299   2HB   LYS  44          2HB       LYS  44   1.935  -7.675  -0.480
  300   1HG   LYS  44          1HG       LYS  44   1.842  -9.665  -2.741
  301   2HG   LYS  44          2HG       LYS  44   2.481  -8.041  -2.997
  302   1HD   LYS  44          1HD       LYS  44   3.693  -8.842  -0.628
  303   2HD   LYS  44          2HD       LYS  44   3.686 -10.313  -1.600
  304   1HE   LYS  44          1HE       LYS  44   4.512  -8.651  -3.513
  305   2HE   LYS  44          2HE       LYS  44   5.074  -7.708  -2.119
  306   1HZ   LYS  44          1HZ       LYS  44   6.316  -9.513  -1.320
  307   2HZ   LYS  44          2HZ       LYS  44   6.627  -9.514  -2.991
  308   3HZ   LYS  44          3HZ       LYS  44   5.531 -10.629  -2.327
  309    H    GLY   3           H        GLY   3   6.017  12.512   4.611
  310   1HA   GLY   3          1HA       GLY   3   5.791  10.312   6.592
  311   2HA   GLY   3          2HA       GLY   3   4.828  11.791   6.587
  312    HA   PRO   4           HA       PRO   4   2.152   8.529   4.803
  313   1HB   PRO   4          1HB       PRO   4  -0.151   9.432   5.978
  314   2HB   PRO   4          2HB       PRO   4   0.980   8.331   6.787
  315   1HG   PRO   4          1HG       PRO   4   0.644  11.276   7.096
  316   2HG   PRO   4          2HG       PRO   4   0.972  10.045   8.324
  317   1HD   PRO   4          1HD       PRO   4   2.882  11.701   7.284
  318   2HD   PRO   4          2HD       PRO   4   3.229  10.084   7.933
  319    HA   PRO   5           HA       PRO   5   0.834  11.260   1.581
  320   1HB   PRO   5          1HB       PRO   5  -0.920   9.605   0.284
  321   2HB   PRO   5          2HB       PRO   5   0.842   9.426   0.174
  322   1HG   PRO   5          1HG       PRO   5  -1.125   7.918   1.829
  323   2HG   PRO   5          2HG       PRO   5   0.307   7.333   0.970
  324   1HD   PRO   5          1HD       PRO   5   0.234   7.788   3.663
  325   2HD   PRO   5          2HD       PRO   5   1.716   7.887   2.688
  326    HA   PRO   6           HA       PRO   6  -2.938  12.968   3.126
  327   1HB   PRO   6          1HB       PRO   6  -3.651  14.538   1.003
  328   2HB   PRO   6          2HB       PRO   6  -2.331  14.953   2.110
  329   1HG   PRO   6          1HG       PRO   6  -2.220  13.744  -0.611
  330   2HG   PRO   6          2HG       PRO   6  -1.158  14.949   0.130
  331   1HD   PRO   6          1HD       PRO   6  -0.523  12.299  -0.108
  332   2HD   PRO   6          2HD       PRO   6   0.127  13.358   1.161
  333    H    TYR   7           H        TYR   7  -4.594  11.459   3.257
  334    HA   TYR   7           HA       TYR   7  -6.061  10.822   0.719
  335   1HB   TYR   7          1HB       TYR   7  -4.693   8.924   1.423
  336   2HB   TYR   7          2HB       TYR   7  -5.337   9.030   3.061
  337    HD1  TYR   7           HD1      TYR   7  -6.613   7.084   3.397
  338    HD2  TYR   7           HD2      TYR   7  -7.067   9.308  -0.249
  339    HE1  TYR   7           HE1      TYR   7  -8.515   5.633   2.748
  340    HE2  TYR   7           HE2      TYR   7  -8.968   7.857  -0.899
  341    HH   TYR   7           HH       TYR   7 -10.576   5.877   1.226
  342   1HN   NH2   8          1HN       NH2   8  -6.349  10.818   4.327
  343   2HN   NH2   8          2HN       NH2   8  -7.985  11.272   4.350
  344   1H1   OCT   2          1H1       OCT   2   8.177  11.197   4.322
  345   2H1   OCT   2          2H1       OCT   2   7.657  10.268   5.741
  346   1H2   OCT   2          1H2       OCT   2   7.398  12.704   6.792
  347   2H2   OCT   2          2H2       OCT   2   8.600  13.114   5.568
  348   1H3   OCT   2          1H3       OCT   2   9.789  10.930   6.515
  349   2H3   OCT   2          2H3       OCT   2   8.844  11.319   7.952
  350   1H4   OCT   2          1H4       OCT   2  10.692  13.250   6.514
  351   2H4   OCT   2          2H4       OCT   2  11.100  12.376   7.990
  352   1H5   OCT   2          1H5       OCT   2  10.048  13.936   9.228
  353   2H5   OCT   2          2H5       OCT   2   8.551  13.655   8.338
  354   1H6   OCT   2          1H6       OCT   2   9.341  15.197   6.561
  355   2H6   OCT   2          2H6       OCT   2  10.810  15.496   7.491
  356   1H7   OCT   2          1H7       OCT   2   9.038  16.055   9.407
  357   2H7   OCT   2          2H7       OCT   2   8.008  16.397   8.015
  358   1H8   OCT   2          1H8       OCT   2  10.632  17.689   8.772
  359   2H8   OCT   2          2H8       OCT   2   9.073  18.464   8.488
  360   3H8   OCT   2          3H8       OCT   2   9.988  17.799   7.134
  Start of MODEL   18
    1    H    PHE   5           H        PHE   5   9.723  -7.279   4.260
    2    HA   PHE   5           HA       PHE   5   9.850  -9.623   2.523
    3   1HB   PHE   5          1HB       PHE   5   7.915  -8.109   4.148
    4   2HB   PHE   5          2HB       PHE   5   7.213  -8.836   2.704
    5    HD1  PHE   5           HD1      PHE   5   7.535  -9.445   6.020
    6    HD2  PHE   5           HD2      PHE   5   8.550 -11.306   2.284
    7    HE1  PHE   5           HE1      PHE   5   7.549 -11.663   7.128
    8    HE2  PHE   5           HE2      PHE   5   8.563 -13.525   3.393
    9    HZ   PHE   5           HZ       PHE   5   8.063 -13.703   5.814
   10    H    GLU   6           H        GLU   6   8.621  -9.721   0.449
   11    HA   GLU   6           HA       GLU   6   8.033  -7.178  -0.922
   12   1HB   GLU   6          1HB       GLU   6  10.577  -7.715  -0.930
   13   2HB   GLU   6          2HB       GLU   6  10.155  -8.990  -2.074
   14   1HG   GLU   6          1HG       GLU   6   9.896  -7.503  -3.753
   15   2HG   GLU   6          2HG       GLU   6   8.860  -6.476  -2.762
   16    H    ILE   7           H        ILE   7   6.475  -7.546  -2.486
   17    HA   ILE   7           HA       ILE   7   6.011 -10.389  -3.333
   18    HB   ILE   7           HB       ILE   7   3.600  -9.817  -3.230
   19   1HG1  ILE   7          1HG1      ILE   7   3.701  -7.426  -1.691
   20   2HG1  ILE   7          2HG1      ILE   7   4.679  -7.154  -3.134
   21   1HG2  ILE   7          1HG2      ILE   7   5.084  -9.089  -0.685
   22   2HG2  ILE   7          2HG2      ILE   7   4.760 -10.736  -1.228
   23   3HG2  ILE   7          3HG2      ILE   7   3.422  -9.672  -0.790
   24   1HD1  ILE   7          1HD1      ILE   7   1.772  -7.962  -2.968
   25   2HD1  ILE   7          2HD1      ILE   7   2.712  -8.182  -4.443
   26   3HD1  ILE   7          3HD1      ILE   7   2.471  -6.564  -3.785
   27    HA   PRO   8           HA       PRO   8   6.209  -8.758  -7.427
   28   1HB   PRO   8          1HB       PRO   8   4.703 -10.616  -8.761
   29   2HB   PRO   8          2HB       PRO   8   6.348 -10.940  -8.178
   30   1HG   PRO   8          1HG       PRO   8   3.723 -11.711  -6.994
   31   2HG   PRO   8          2HG       PRO   8   5.231 -12.632  -7.088
   32   1HD   PRO   8          1HD       PRO   8   4.378 -11.342  -4.835
   33   2HD   PRO   8          2HD       PRO   8   6.087 -11.657  -5.200
   34    H    ASP   9           H        ASP   9   4.227  -8.825  -9.389
   35    HA   ASP   9           HA       ASP   9   2.126  -7.076  -8.172
   36   1HB   ASP   9          1HB       ASP   9   3.217  -7.388 -10.989
   37   2HB   ASP   9          2HB       ASP   9   1.950  -6.248 -10.531
   38    H    ASP  10           H        ASP  10   1.360  -9.546  -7.643
   39    HA   ASP  10           HA       ASP  10  -0.826 -10.073  -9.574
   40   1HB   ASP  10          1HB       ASP  10   1.628 -11.433  -9.666
   41   2HB   ASP  10          2HB       ASP  10   0.530 -12.544  -8.848
   42    H    VAL  11           H        VAL  11  -0.285  -9.322  -6.608
   43    HA   VAL  11           HA       VAL  11  -1.764 -11.573  -5.307
   44    HB   VAL  11           HB       VAL  11  -0.234  -9.220  -4.149
   45   1HG1  VAL  11          1HG1      VAL  11  -0.485 -10.256  -2.041
   46   2HG1  VAL  11          2HG1      VAL  11  -0.973 -11.792  -2.757
   47   3HG1  VAL  11          3HG1      VAL  11  -2.079 -10.419  -2.779
   48   1HG2  VAL  11          1HG2      VAL  11   1.392 -10.549  -5.229
   49   2HG2  VAL  11          2HG2      VAL  11   0.547 -12.049  -4.844
   50   3HG2  VAL  11          3HG2      VAL  11   1.391 -11.161  -3.576
   51    HA   PRO  12           HA       PRO  12  -5.336  -8.957  -5.223
   52   1HB   PRO  12          1HB       PRO  12  -6.747 -10.235  -3.252
   53   2HB   PRO  12          2HB       PRO  12  -6.581 -10.883  -4.893
   54   1HG   PRO  12          1HG       PRO  12  -5.108 -11.596  -2.403
   55   2HG   PRO  12          2HG       PRO  12  -5.728 -12.646  -3.685
   56   1HD   PRO  12          1HD       PRO  12  -3.109 -11.917  -3.476
   57   2HD   PRO  12          2HD       PRO  12  -3.892 -12.300  -5.024
   58    H    LEU  13           H        LEU  13  -6.816  -8.388  -2.872
   59    HA   LEU  13           HA       LEU  13  -4.942  -7.357  -0.834
   60   1HB   LEU  13          1HB       LEU  13  -5.791  -5.853  -3.115
   61   2HB   LEU  13          2HB       LEU  13  -6.561  -5.155  -1.690
   62    HG   LEU  13           HG       LEU  13  -4.013  -5.610  -0.774
   63   1HD1  LEU  13          1HD1      LEU  13  -3.474  -4.331  -3.407
   64   2HD1  LEU  13          2HD1      LEU  13  -3.674  -6.082  -3.408
   65   3HD1  LEU  13          3HD1      LEU  13  -2.425  -5.340  -2.410
   66   1HD2  LEU  13          1HD2      LEU  13  -5.712  -3.428  -1.335
   67   2HD2  LEU  13          2HD2      LEU  13  -4.161  -3.028  -2.061
   68   3HD2  LEU  13          3HD2      LEU  13  -4.253  -3.410  -0.345
   69    HA   PRO  14           HA       PRO  14  -8.666  -7.423   1.543
   70   1HB   PRO  14          1HB       PRO  14  -8.534  -5.189   3.117
   71   2HB   PRO  14          2HB       PRO  14  -7.459  -6.582   3.315
   72   1HG   PRO  14          1HG       PRO  14  -6.880  -3.915   2.270
   73   2HG   PRO  14          2HG       PRO  14  -5.775  -5.146   2.879
   74   1HD   PRO  14          1HD       PRO  14  -6.377  -4.472   0.152
   75   2HD   PRO  14          2HD       PRO  14  -5.216  -5.671   0.755
   76    H    ALA  15           H        ALA  15 -10.850  -6.583   1.815
   77    HA   ALA  15           HA       ALA  15 -11.829  -5.019  -0.416
   78   1HB   ALA  15          1HB       ALA  15 -13.984  -5.290   0.837
   79   2HB   ALA  15          2HB       ALA  15 -13.072  -5.952   2.193
   80   3HB   ALA  15          3HB       ALA  15 -13.108  -6.809   0.651
   81    H    GLY  16           H        GLY  16 -12.870  -2.907  -0.274
   82   1HA   GLY  16          1HA       GLY  16 -12.961  -0.664   0.421
   83   2HA   GLY  16          2HA       GLY  16 -12.974  -1.296   2.071
   84    H    TRP  17           H        TRP  17 -10.445  -1.614  -0.429
   85    HA   TRP  17           HA       TRP  17  -8.658   0.130   1.196
   86   1HB   TRP  17          1HB       TRP  17  -8.634  -2.798   0.941
   87   2HB   TRP  17          2HB       TRP  17  -7.074  -2.045   0.626
   88    HD1  TRP  17           HD1      TRP  17  -9.726  -2.384   3.377
   89    HE1  TRP  17           HE1      TRP  17  -8.633  -1.785   5.635
   90    HE3  TRP  17           HE3      TRP  17  -5.197  -0.774   1.734
   91    HZ2  TRP  17           HZ2      TRP  17  -6.137  -0.754   6.608
   92    HZ3  TRP  17           HZ3      TRP  17  -3.470   0.011   3.326
   93    HH2  TRP  17           HH2      TRP  17  -3.934   0.023   5.759
   94    H    GLU  18           H        GLU  18  -8.493   1.603  -0.594
   95    HA   GLU  18           HA       GLU  18  -7.805   0.672  -3.280
   96   1HB   GLU  18          1HB       GLU  18  -8.988   2.863  -2.459
   97   2HB   GLU  18          2HB       GLU  18  -7.348   3.448  -2.169
   98   1HG   GLU  18          1HG       GLU  18  -7.051   3.868  -4.351
   99   2HG   GLU  18          2HG       GLU  18  -7.481   2.208  -4.766
  100    H    MET  19           H        MET  19  -5.670   1.908  -4.184
  101    HA   MET  19           HA       MET  19  -3.472   1.767  -2.208
  102   1HB   MET  19          1HB       MET  19  -2.215   0.278  -3.795
  103   2HB   MET  19          2HB       MET  19  -3.598  -0.485  -3.026
  104   1HG   MET  19          1HG       MET  19  -4.027   0.923  -5.639
  105   2HG   MET  19          2HG       MET  19  -3.211  -0.639  -5.671
  106   1HE   MET  19          1HE       MET  19  -4.824  -3.143  -5.082
  107   2HE   MET  19          2HE       MET  19  -5.449  -2.750  -3.482
  108   3HE   MET  19          3HE       MET  19  -3.824  -2.246  -3.934
  109    H    ALA  20           H        ALA  20  -1.597   2.876  -2.912
  110    HA   ALA  20           HA       ALA  20  -1.655   4.224  -5.535
  111   1HB   ALA  20          1HB       ALA  20  -2.357   5.403  -2.892
  112   2HB   ALA  20          2HB       ALA  20  -2.935   5.836  -4.500
  113   3HB   ALA  20          3HB       ALA  20  -1.356   6.399  -3.951
  114    H    LYS  21           H        LYS  21   0.455   4.648  -6.192
  115    HA   LYS  21           HA       LYS  21   2.611   3.890  -4.280
  116   1HB   LYS  21          1HB       LYS  21   2.384   4.118  -7.291
  117   2HB   LYS  21          2HB       LYS  21   3.906   3.765  -6.473
  118   1HG   LYS  21          1HG       LYS  21   3.265   1.640  -5.922
  119   2HG   LYS  21          2HG       LYS  21   1.592   2.114  -5.632
  120   1HD   LYS  21          1HD       LYS  21   1.210   2.262  -8.068
  121   2HD   LYS  21          2HD       LYS  21   2.885   1.791  -8.359
  122   1HE   LYS  21          1HE       LYS  21   2.527  -0.409  -7.559
  123   2HE   LYS  21          2HE       LYS  21   1.043   0.052  -6.704
  124   1HZ   LYS  21          1HZ       LYS  21   1.402   0.232  -9.651
  125   2HZ   LYS  21          2HZ       LYS  21  -0.035   0.490  -8.781
  126   3HZ   LYS  21          3HZ       LYS  21   0.638  -1.069  -8.875
  127    H    THR  22           H        THR  22   3.949   5.440  -3.472
  128    HA   THR  22           HA       THR  22   3.873   8.163  -4.727
  129    HB   THR  22           HB       THR  22   3.116   8.057  -2.412
  130    HG1  THR  22           HG1      THR  22   4.495   9.556  -1.601
  131   1HG2  THR  22          1HG2      THR  22   4.826   7.286  -0.667
  132   2HG2  THR  22          2HG2      THR  22   5.692   6.538  -2.008
  133   3HG2  THR  22          3HG2      THR  22   4.050   6.021  -1.621
  134    H    SER  23           H        SER  23   5.976   9.297  -4.881
  135    HA   SER  23           HA       SER  23   8.254   9.350  -5.529
  136   1HB   SER  23          1HB       SER  23   8.505   6.986  -3.653
  137   2HB   SER  23          2HB       SER  23   9.688   8.258  -3.961
  138    HG   SER  23           HG       SER  23   8.635   8.658  -2.019
  139    H    SER  24           H        SER  24   9.878   6.736  -5.459
  140    HA   SER  24           HA       SER  24   9.701   5.948  -8.144
  141   1HB   SER  24          1HB       SER  24  10.620   3.713  -7.052
  142   2HB   SER  24          2HB       SER  24  11.569   5.197  -6.963
  143    HG   SER  24           HG       SER  24  11.320   5.196  -4.894
  144    H    GLY  25           H        GLY  25   8.732   3.567  -5.695
  145   1HA   GLY  25          1HA       GLY  25   6.069   3.291  -6.964
  146   2HA   GLY  25          2HA       GLY  25   7.114   1.874  -6.991
  147    H    GLN  26           H        GLN  26   7.194   4.127  -4.304
  148    HA   GLN  26           HA       GLN  26   6.892   2.186  -2.280
  149   1HB   GLN  26          1HB       GLN  26   6.976   5.043  -2.587
  150   2HB   GLN  26          2HB       GLN  26   5.699   4.640  -1.440
  151   1HG   GLN  26          1HG       GLN  26   7.632   4.791  -0.090
  152   2HG   GLN  26          2HG       GLN  26   7.453   3.059  -0.367
  153   1HE2  GLN  26          1HE2      GLN  26   9.378   2.075  -0.985
  154   2HE2  GLN  26          2HE2      GLN  26  10.633   2.830  -1.841
  155    H    ARG  27           H        ARG  27   5.185   0.732  -2.765
  156    HA   ARG  27           HA       ARG  27   2.532   1.569  -3.500
  157   1HB   ARG  27          1HB       ARG  27   4.050  -0.856  -2.992
  158   2HB   ARG  27          2HB       ARG  27   2.418  -0.981  -2.342
  159   1HG   ARG  27          1HG       ARG  27   1.911   0.194  -4.735
  160   2HG   ARG  27          2HG       ARG  27   3.319  -0.783  -5.153
  161   1HD   ARG  27          1HD       ARG  27   1.625  -2.394  -3.519
  162   2HD   ARG  27          2HD       ARG  27   0.614  -1.661  -4.778
  163    HE   ARG  27           HE       ARG  27   3.150  -2.600  -5.839
  164   1HH1  ARG  27          1HH1      ARG  27  -0.044  -3.586  -4.866
  165   2HH1  ARG  27          2HH1      ARG  27  -0.057  -4.962  -5.914
  166   1HH2  ARG  27          1HH2      ARG  27   3.108  -4.391  -7.192
  167   2HH2  ARG  27          2HH2      ARG  27   1.712  -5.416  -7.222
  168    H    TYR  28           H        TYR  28   1.892   3.133  -1.863
  169    HA   TYR  28           HA       TYR  28   1.506   1.986   0.855
  170   1HB   TYR  28          1HB       TYR  28   1.404   4.227   1.608
  171   2HB   TYR  28          2HB       TYR  28   2.557   4.327   0.283
  172    HD1  TYR  28           HD1      TYR  28  -1.017   4.825   1.182
  173    HD2  TYR  28           HD2      TYR  28   2.115   5.655  -1.630
  174    HE1  TYR  28           HE1      TYR  28  -2.472   6.456   0.041
  175    HE2  TYR  28           HE2      TYR  28   0.657   7.289  -2.777
  176    HH   TYR  28           HH       TYR  28  -1.276   8.637  -2.361
  177    H    PHE  29           H        PHE  29  -0.389   1.101   1.289
  178    HA   PHE  29           HA       PHE  29  -2.503   1.250  -0.675
  179   1HB   PHE  29          1HB       PHE  29  -1.992  -0.202   1.898
  180   2HB   PHE  29          2HB       PHE  29  -3.500  -0.401   0.994
  181    HD1  PHE  29           HD1      PHE  29  -3.536  -1.432  -1.179
  182    HD2  PHE  29           HD2      PHE  29   0.189  -0.755   0.834
  183    HE1  PHE  29           HE1      PHE  29  -2.377  -2.823  -2.861
  184    HE2  PHE  29           HE2      PHE  29   1.348  -2.151  -0.847
  185    HZ   PHE  29           HZ       PHE  29   0.062  -3.184  -2.700
  186    H    LEU  30           H        LEU  30  -4.376   2.217  -0.596
  187    HA   LEU  30           HA       LEU  30  -4.821   4.353   1.380
  188   1HB   LEU  30          1HB       LEU  30  -5.635   3.541  -1.372
  189   2HB   LEU  30          2HB       LEU  30  -6.709   4.640  -0.498
  190    HG   LEU  30           HG       LEU  30  -3.744   5.052  -0.964
  191   1HD1  LEU  30          1HD1      LEU  30  -6.229   6.096  -2.321
  192   2HD1  LEU  30          2HD1      LEU  30  -4.773   5.425  -3.054
  193   3HD1  LEU  30          3HD1      LEU  30  -4.735   7.033  -2.332
  194   1HD2  LEU  30          1HD2      LEU  30  -4.481   7.429  -0.187
  195   2HD2  LEU  30          2HD2      LEU  30  -4.291   6.184   1.044
  196   3HD2  LEU  30          3HD2      LEU  30  -5.900   6.615   0.468
  197    H    ASN  31           H        ASN  31  -5.587   2.991   3.180
  198    HA   ASN  31           HA       ASN  31  -7.671   1.077   3.058
  199   1HB   ASN  31          1HB       ASN  31  -6.202   1.590   4.998
  200   2HB   ASN  31          2HB       ASN  31  -7.021   3.138   5.191
  201   1HD2  ASN  31          1HD2      ASN  31  -6.984   0.910   7.157
  202   2HD2  ASN  31          2HD2      ASN  31  -8.602   0.449   7.381
  203    H    HIS  32           H        HIS  32  -9.647   1.489   2.083
  204    HA   HIS  32           HA       HIS  32 -10.806   4.204   2.129
  205   1HB   HIS  32          1HB       HIS  32 -10.742   2.129   0.334
  206   2HB   HIS  32          2HB       HIS  32 -12.336   1.910   1.058
  207    HD1  HIS  32           HD1      HIS  32 -13.970   4.027   0.947
  208    HD2  HIS  32           HD2      HIS  32 -10.547   4.300  -1.418
  209    HE1  HIS  32           HE1      HIS  32 -14.380   5.915  -0.690
  210    H    ILE  33           H        ILE  33 -11.578   0.930   3.292
  211    HA   ILE  33           HA       ILE  33 -14.068   1.459   4.526
  212    HB   ILE  33           HB       ILE  33 -12.867  -0.726   4.088
  213   1HG1  ILE  33          1HG1      ILE  33 -14.885  -0.528   5.562
  214   2HG1  ILE  33          2HG1      ILE  33 -13.831  -1.875   5.984
  215   1HG2  ILE  33          1HG2      ILE  33 -11.287   0.186   6.499
  216   2HG2  ILE  33          2HG2      ILE  33 -10.676  -0.297   4.917
  217   3HG2  ILE  33          3HG2      ILE  33 -11.376  -1.503   5.996
  218   1HD1  ILE  33          1HD1      ILE  33 -12.798   0.169   7.521
  219   2HD1  ILE  33          2HD1      ILE  33 -13.937  -1.047   8.088
  220   3HD1  ILE  33          3HD1      ILE  33 -14.524   0.521   7.535
  221    H    ASP  34           H        ASP  34 -10.817   2.332   5.464
  222    HA   ASP  34           HA       ASP  34 -11.890   3.551   7.988
  223   1HB   ASP  34          1HB       ASP  34 -10.186   1.487   7.880
  224   2HB   ASP  34          2HB       ASP  34  -9.015   2.791   7.686
  225    H    GLN  35           H        GLN  35 -10.514   4.175   4.952
  226    HA   GLN  35           HA       GLN  35  -9.603   6.115   3.981
  227   1HB   GLN  35          1HB       GLN  35 -10.674   7.366   6.527
  228   2HB   GLN  35          2HB       GLN  35 -10.372   8.189   4.997
  229   1HG   GLN  35          1HG       GLN  35 -12.395   7.582   4.215
  230   2HG   GLN  35          2HG       GLN  35 -12.065   5.885   4.565
  231   1HE2  GLN  35          1HE2      GLN  35 -12.666   8.842   6.567
  232   2HE2  GLN  35          2HE2      GLN  35 -13.804   8.097   7.582
  233    H    THR  36           H        THR  36  -7.413   5.187   4.404
  234    HA   THR  36           HA       THR  36  -5.737   7.083   5.855
  235    HB   THR  36           HB       THR  36  -4.884   4.905   7.221
  236    HG1  THR  36           HG1      THR  36  -6.345   3.424   7.256
  237   1HG2  THR  36          1HG2      THR  36  -5.966   7.289   7.861
  238   2HG2  THR  36          2HG2      THR  36  -5.644   6.035   9.060
  239   3HG2  THR  36          3HG2      THR  36  -7.267   6.229   8.400
  240    H    THR  37           H        THR  37  -3.418   6.587   5.511
  241    HA   THR  37           HA       THR  37  -3.010   4.741   3.179
  242    HB   THR  37           HB       THR  37  -1.224   6.285   2.542
  243    HG1  THR  37           HG1      THR  37  -0.540   6.807   4.644
  244   1HG2  THR  37          1HG2      THR  37  -2.796   7.576   1.597
  245   2HG2  THR  37          2HG2      THR  37  -3.011   8.444   3.118
  246   3HG2  THR  37          3HG2      THR  37  -3.972   7.004   2.781
  247    H    THR  38           H        THR  38  -1.535   3.091   3.436
  248    HA   THR  38           HA       THR  38   0.443   3.262   5.664
  249    HB   THR  38           HB       THR  38  -1.591   2.143   6.508
  250    HG1  THR  38           HG1      THR  38  -0.388   0.720   7.469
  251   1HG2  THR  38          1HG2      THR  38  -1.197   0.504   4.015
  252   2HG2  THR  38          2HG2      THR  38  -2.670   1.262   4.621
  253   3HG2  THR  38          3HG2      THR  38  -2.030  -0.179   5.411
  254    H    TRP  39           H        TRP  39   2.328   1.995   5.263
  255    HA   TRP  39           HA       TRP  39   2.848   1.382   2.450
  256   1HB   TRP  39          1HB       TRP  39   4.537   0.778   4.899
  257   2HB   TRP  39          2HB       TRP  39   5.102   1.004   3.248
  258    HD1  TRP  39           HD1      TRP  39   4.599   2.824   6.397
  259    HE1  TRP  39           HE1      TRP  39   4.833   5.366   6.040
  260    HE3  TRP  39           HE3      TRP  39   4.446   3.019   1.294
  261    HZ2  TRP  39           HZ2      TRP  39   4.941   7.234   3.881
  262    HZ3  TRP  39           HZ3      TRP  39   4.618   5.194   0.116
  263    HH2  TRP  39           HH2      TRP  39   4.862   7.300   1.402
  264    H    GLN  40           H        GLN  40   3.255  -0.623   5.393
  265    HA   GLN  40           HA       GLN  40   2.561  -3.021   3.738
  266   1HB   GLN  40          1HB       GLN  40   3.824  -4.214   5.564
  267   2HB   GLN  40          2HB       GLN  40   4.799  -3.037   4.685
  268   1HG   GLN  40          1HG       GLN  40   5.155  -1.832   6.557
  269   2HG   GLN  40          2HG       GLN  40   3.432  -1.790   6.927
  270   1HE2  GLN  40          1HE2      GLN  40   6.132  -4.198   6.985
  271   2HE2  GLN  40          2HE2      GLN  40   5.653  -4.913   8.448
  272    H    ASP  41           H        ASP  41   0.684  -4.083   4.235
  273    HA   ASP  41           HA       ASP  41  -0.381  -4.419   6.873
  274   1HB   ASP  41          1HB       ASP  41  -0.941  -1.910   5.480
  275   2HB   ASP  41          2HB       ASP  41  -2.420  -2.763   5.918
  276    HA   PRO  42           HA       PRO  42  -3.716  -5.759   3.726
  277   1HB   PRO  42          1HB       PRO  42  -3.412  -5.034   1.103
  278   2HB   PRO  42          2HB       PRO  42  -4.287  -4.044   2.285
  279   1HG   PRO  42          1HG       PRO  42  -1.508  -3.755   1.250
  280   2HG   PRO  42          2HG       PRO  42  -2.715  -2.509   1.598
  281   1HD   PRO  42          1HD       PRO  42  -0.641  -3.094   3.262
  282   2HD   PRO  42          2HD       PRO  42  -2.197  -2.458   3.833
  283    H    ARG  43           H        ARG  43  -0.498  -5.462   2.209
  284    HA   ARG  43           HA       ARG  43  -0.009  -8.305   2.299
  285   1HB   ARG  43          1HB       ARG  43  -1.566  -7.208   0.112
  286   2HB   ARG  43          2HB       ARG  43  -0.074  -7.927  -0.495
  287   1HG   ARG  43          1HG       ARG  43  -0.634 -10.050   0.253
  288   2HG   ARG  43          2HG       ARG  43  -1.648  -9.435   1.558
  289   1HD   ARG  43          1HD       ARG  43  -3.438  -8.915   0.054
  290   2HD   ARG  43          2HD       ARG  43  -2.393  -9.117  -1.365
  291    HE   ARG  43           HE       ARG  43  -2.649 -11.464  -1.149
  292   1HH1  ARG  43          1HH1      ARG  43  -3.620  -9.829   1.768
  293   2HH1  ARG  43          2HH1      ARG  43  -4.227 -11.271   2.503
  294   1HH2  ARG  43          1HH2      ARG  43  -3.446 -13.322  -0.173
  295   2HH2  ARG  43          2HH2      ARG  43  -4.132 -13.235   1.415
  296    H    LYS  44           H        LYS  44   1.794  -6.722   3.201
  297    HA   LYS  44           HA       LYS  44   4.053  -6.854   1.405
  298   1HB   LYS  44          1HB       LYS  44   2.408  -4.838   0.757
  299   2HB   LYS  44          2HB       LYS  44   3.322  -4.024   2.026
  300   1HG   LYS  44          1HG       LYS  44   5.238  -3.971   0.788
  301   2HG   LYS  44          2HG       LYS  44   4.953  -5.571   0.102
  302   1HD   LYS  44          1HD       LYS  44   3.139  -4.539  -1.324
  303   2HD   LYS  44          2HD       LYS  44   3.670  -2.960  -0.747
  304   1HE   LYS  44          1HE       LYS  44   5.385  -4.974  -2.252
  305   2HE   LYS  44          2HE       LYS  44   4.767  -3.438  -2.890
  306   1HZ   LYS  44          1HZ       LYS  44   5.863  -2.384  -0.889
  307   2HZ   LYS  44          2HZ       LYS  44   6.923  -2.974  -2.080
  308   3HZ   LYS  44          3HZ       LYS  44   6.671  -3.857  -0.651
  309    H    GLY   3           H        GLY   3   6.157  11.896   5.689
  310   1HA   GLY   3          1HA       GLY   3   5.421  10.121   7.974
  311   2HA   GLY   3          2HA       GLY   3   4.458  11.558   7.625
  312    HA   PRO   4           HA       PRO   4   2.694   8.042   5.204
  313   1HB   PRO   4          1HB       PRO   4   0.087   8.534   5.876
  314   2HB   PRO   4          2HB       PRO   4   1.161   7.517   6.854
  315   1HG   PRO   4          1HG       PRO   4   0.342  10.355   7.256
  316   2HG   PRO   4          2HG       PRO   4   0.572   9.069   8.449
  317   1HD   PRO   4          1HD       PRO   4   2.401  11.043   7.971
  318   2HD   PRO   4          2HD       PRO   4   2.830   9.433   8.585
  319    HA   PRO   5           HA       PRO   5   1.699  10.834   1.927
  320   1HB   PRO   5          1HB       PRO   5   0.448   9.106   0.212
  321   2HB   PRO   5          2HB       PRO   5   2.204   9.124   0.458
  322   1HG   PRO   5          1HG       PRO   5   0.145   7.289   1.583
  323   2HG   PRO   5          2HG       PRO   5   1.783   6.935   1.020
  324   1HD   PRO   5          1HD       PRO   5   1.096   7.178   3.655
  325   2HD   PRO   5          2HD       PRO   5   2.725   7.495   3.026
  326    HA   PRO   6           HA       PRO   6  -2.484  12.042   2.655
  327   1HB   PRO   6          1HB       PRO   6  -3.009  13.480   0.386
  328   2HB   PRO   6          2HB       PRO   6  -1.965  14.077   1.690
  329   1HG   PRO   6          1HG       PRO   6  -1.230  12.861  -0.927
  330   2HG   PRO   6          2HG       PRO   6  -0.476  14.205  -0.059
  331   1HD   PRO   6          1HD       PRO   6   0.528  11.663  -0.091
  332   2HD   PRO   6          2HD       PRO   6   0.800  12.812   1.236
  333    H    TYR   7           H        TYR   7  -4.718  11.807   1.701
  334    HA   TYR   7           HA       TYR   7  -4.897   9.298   0.120
  335   1HB   TYR   7          1HB       TYR   7  -6.104  10.034   2.370
  336   2HB   TYR   7          2HB       TYR   7  -7.232  10.802   1.253
  337    HD1  TYR   7           HD1      TYR   7  -7.057   8.048   3.159
  338    HD2  TYR   7           HD2      TYR   7  -7.383   9.022  -1.012
  339    HE1  TYR   7           HE1      TYR   7  -8.131   5.858   2.728
  340    HE2  TYR   7           HE2      TYR   7  -8.457   6.830  -1.440
  341    HH   TYR   7           HH       TYR   7  -8.315   4.294   0.557
  342   1HN   NH2   8          1HN       NH2   8  -6.479  12.558   0.070
  343   2HN   NH2   8          2HN       NH2   8  -6.747  12.569  -1.605
  344   1H1   OCT   2          1H1       OCT   2   7.335   9.653   7.026
  345   2H1   OCT   2          2H1       OCT   2   8.037  11.146   7.675
  346   1H2   OCT   2          1H2       OCT   2   8.142  11.795   5.091
  347   2H2   OCT   2          2H2       OCT   2   8.157  10.042   4.885
  348   1H3   OCT   2          1H3       OCT   2  10.058   9.983   6.576
  349   2H3   OCT   2          2H3       OCT   2  10.123  11.740   6.444
  350   1H4   OCT   2          1H4       OCT   2  11.414  11.505   4.614
  351   2H4   OCT   2          2H4       OCT   2  10.051  10.741   3.795
  352   1H5   OCT   2          1H5       OCT   2  11.891   9.206   5.641
  353   2H5   OCT   2          2H5       OCT   2  12.218   9.374   3.916
  354   1H6   OCT   2          1H6       OCT   2   9.469   8.523   4.671
  355   2H6   OCT   2          2H6       OCT   2  10.757   7.345   4.928
  356   1H7   OCT   2          1H7       OCT   2  10.587   8.835   2.319
  357   2H7   OCT   2          2H7       OCT   2   9.547   7.438   2.600
  358   1H8   OCT   2          1H8       OCT   2  11.791   6.294   3.376
  359   2H8   OCT   2          2H8       OCT   2  12.542   7.567   2.412
  360   3H8   OCT   2          3H8       OCT   2  11.427   6.430   1.655
  Start of MODEL   19
    1    H    PHE   5           H        PHE   5  10.793  -9.504   1.248
    2    HA   PHE   5           HA       PHE   5   8.914  -8.101   3.018
    3   1HB   PHE   5          1HB       PHE   5  11.728  -8.160   2.383
    4   2HB   PHE   5          2HB       PHE   5  11.145  -6.497   2.305
    5    HD1  PHE   5           HD1      PHE   5  10.422  -9.498   4.451
    6    HD2  PHE   5           HD2      PHE   5  11.427  -5.324   4.290
    7    HE1  PHE   5           HE1      PHE   5  10.385  -9.393   6.929
    8    HE2  PHE   5           HE2      PHE   5  11.388  -5.219   6.768
    9    HZ   PHE   5           HZ       PHE   5  10.867  -7.254   8.086
   10    H    GLU   6           H        GLU   6   9.967  -7.920  -0.334
   11    HA   GLU   6           HA       GLU   6   8.770  -5.265  -0.769
   12   1HB   GLU   6          1HB       GLU   6  10.080  -7.376  -2.501
   13   2HB   GLU   6          2HB       GLU   6   9.461  -5.859  -3.155
   14   1HG   GLU   6          1HG       GLU   6  11.201  -4.665  -2.322
   15   2HG   GLU   6          2HG       GLU   6  11.145  -5.506  -0.773
   16    H    ILE   7           H        ILE   7   6.828  -4.902  -1.915
   17    HA   ILE   7           HA       ILE   7   4.856  -7.064  -1.848
   18    HB   ILE   7           HB       ILE   7   4.739  -4.231  -2.929
   19   1HG1  ILE   7          1HG1      ILE   7   5.451  -4.323  -0.559
   20   2HG1  ILE   7          2HG1      ILE   7   3.824  -3.661  -0.709
   21   1HG2  ILE   7          1HG2      ILE   7   2.905  -5.833  -3.618
   22   2HG2  ILE   7          2HG2      ILE   7   2.347  -4.438  -2.696
   23   3HG2  ILE   7          3HG2      ILE   7   2.506  -6.008  -1.909
   24   1HD1  ILE   7          1HD1      ILE   7   4.719  -6.114   0.613
   25   2HD1  ILE   7          2HD1      ILE   7   3.385  -6.397  -0.505
   26   3HD1  ILE   7          3HD1      ILE   7   3.207  -5.227   0.803
   27    HA   PRO   8           HA       PRO   8   6.034  -8.097  -6.092
   28   1HB   PRO   8          1HB       PRO   8   4.593 -10.418  -6.227
   29   2HB   PRO   8          2HB       PRO   8   6.185 -10.311  -5.451
   30   1HG   PRO   8          1HG       PRO   8   3.468 -10.347  -4.228
   31   2HG   PRO   8          2HG       PRO   8   4.967 -11.103  -3.667
   32   1HD   PRO   8          1HD       PRO   8   3.945  -8.777  -2.642
   33   2HD   PRO   8          2HD       PRO   8   5.668  -9.203  -2.606
   34    H    ASP   9           H        ASP   9   4.911  -7.735  -8.041
   35    HA   ASP   9           HA       ASP   9   2.420  -6.342  -7.992
   36   1HB   ASP   9          1HB       ASP   9   4.475  -6.968  -9.784
   37   2HB   ASP   9          2HB       ASP   9   3.037  -7.696 -10.501
   38    H    ASP  10           H        ASP  10   1.020  -7.814  -6.726
   39    HA   ASP  10           HA       ASP  10  -0.660  -9.481  -8.368
   40   1HB   ASP  10          1HB       ASP  10   1.763 -10.625  -7.395
   41   2HB   ASP  10          2HB       ASP  10   0.437 -11.372  -6.506
   42    H    VAL  11           H        VAL  11   0.515  -8.722  -5.103
   43    HA   VAL  11           HA       VAL  11  -1.464  -9.761  -3.457
   44    HB   VAL  11           HB       VAL  11  -0.971  -7.751  -2.041
   45   1HG1  VAL  11          1HG1      VAL  11   0.695  -9.810  -2.813
   46   2HG1  VAL  11          2HG1      VAL  11   1.027  -8.677  -1.502
   47   3HG1  VAL  11          3HG1      VAL  11   1.693  -8.386  -3.109
   48   1HG2  VAL  11          1HG2      VAL  11  -0.386  -6.644  -4.622
   49   2HG2  VAL  11          2HG2      VAL  11   1.079  -6.592  -3.643
   50   3HG2  VAL  11          3HG2      VAL  11  -0.400  -5.829  -3.059
   51    HA   PRO  12           HA       PRO  12  -4.991  -7.619  -5.329
   52   1HB   PRO  12          1HB       PRO  12  -6.902  -9.141  -4.106
   53   2HB   PRO  12          2HB       PRO  12  -6.029  -9.669  -5.556
   54   1HG   PRO  12          1HG       PRO  12  -5.600 -10.412  -2.702
   55   2HG   PRO  12          2HG       PRO  12  -5.503 -11.417  -4.154
   56   1HD   PRO  12          1HD       PRO  12  -3.318 -10.408  -2.848
   57   2HD   PRO  12          2HD       PRO  12  -3.341 -10.807  -4.578
   58    H    LEU  13           H        LEU  13  -3.819  -7.645  -2.170
   59    HA   LEU  13           HA       LEU  13  -4.314  -6.339  -0.271
   60   1HB   LEU  13          1HB       LEU  13  -5.375  -4.913  -2.661
   61   2HB   LEU  13          2HB       LEU  13  -5.972  -4.351  -1.102
   62    HG   LEU  13           HG       LEU  13  -3.906  -3.154  -1.859
   63   1HD1  LEU  13          1HD1      LEU  13  -4.511  -3.467   0.566
   64   2HD1  LEU  13          2HD1      LEU  13  -2.788  -3.244   0.276
   65   3HD1  LEU  13          3HD1      LEU  13  -3.424  -4.854   0.599
   66   1HD2  LEU  13          1HD2      LEU  13  -1.752  -4.475  -1.636
   67   2HD2  LEU  13          2HD2      LEU  13  -2.739  -4.888  -3.037
   68   3HD2  LEU  13          3HD2      LEU  13  -2.740  -5.936  -1.619
   69    HA   PRO  14           HA       PRO  14  -8.290  -7.600   1.131
   70   1HB   PRO  14          1HB       PRO  14  -8.789  -5.802   3.135
   71   2HB   PRO  14          2HB       PRO  14  -7.567  -7.077   3.252
   72   1HG   PRO  14          1HG       PRO  14  -7.226  -4.198   2.944
   73   2HG   PRO  14          2HG       PRO  14  -6.071  -5.410   3.490
   74   1HD   PRO  14          1HD       PRO  14  -6.265  -4.170   0.906
   75   2HD   PRO  14          2HD       PRO  14  -5.075  -5.362   1.467
   76    H    ALA  15           H        ALA  15 -10.612  -6.752   1.656
   77    HA   ALA  15           HA       ALA  15 -11.585  -5.250  -0.614
   78   1HB   ALA  15          1HB       ALA  15 -12.911  -6.988   0.388
   79   2HB   ALA  15          2HB       ALA  15 -13.747  -5.471   0.723
   80   3HB   ALA  15          3HB       ALA  15 -12.787  -6.245   1.983
   81    H    GLY  16           H        GLY  16 -12.708  -3.174  -0.514
   82   1HA   GLY  16          1HA       GLY  16 -12.823  -0.910   0.094
   83   2HA   GLY  16          2HA       GLY  16 -12.892  -1.501   1.755
   84    H    TRP  17           H        TRP  17 -10.234  -1.901  -0.575
   85    HA   TRP  17           HA       TRP  17  -8.562  -0.050   1.076
   86   1HB   TRP  17          1HB       TRP  17  -8.413  -2.977   0.798
   87   2HB   TRP  17          2HB       TRP  17  -6.886  -2.162   0.487
   88    HD1  TRP  17           HD1      TRP  17  -9.499  -2.670   3.244
   89    HE1  TRP  17           HE1      TRP  17  -8.421  -2.040   5.502
   90    HE3  TRP  17           HE3      TRP  17  -5.072  -0.769   1.594
   91    HZ2  TRP  17           HZ2      TRP  17  -5.987  -0.881   6.474
   92    HZ3  TRP  17           HZ3      TRP  17  -3.390   0.088   3.192
   93    HH2  TRP  17           HH2      TRP  17  -3.840   0.036   5.632
   94    H    GLU  18           H        GLU  18  -8.232   1.457  -0.615
   95    HA   GLU  18           HA       GLU  18  -7.568   0.539  -3.332
   96   1HB   GLU  18          1HB       GLU  18  -8.825   2.699  -2.485
   97   2HB   GLU  18          2HB       GLU  18  -7.194   3.338  -2.270
   98   1HG   GLU  18          1HG       GLU  18  -7.047   3.760  -4.467
   99   2HG   GLU  18          2HG       GLU  18  -7.317   2.053  -4.824
  100    H    MET  19           H        MET  19  -5.489   1.908  -4.207
  101    HA   MET  19           HA       MET  19  -3.273   1.781  -2.236
  102   1HB   MET  19          1HB       MET  19  -1.991   0.369  -3.846
  103   2HB   MET  19          2HB       MET  19  -3.385  -0.445  -3.156
  104   1HG   MET  19          1HG       MET  19  -3.787   1.073  -5.698
  105   2HG   MET  19          2HG       MET  19  -2.917  -0.458  -5.794
  106   1HE   MET  19          1HE       MET  19  -4.934  -3.159  -5.025
  107   2HE   MET  19          2HE       MET  19  -4.772  -2.432  -3.430
  108   3HE   MET  19          3HE       MET  19  -3.440  -2.324  -4.576
  109    H    ALA  20           H        ALA  20  -1.252   2.717  -3.234
  110    HA   ALA  20           HA       ALA  20  -1.419   4.186  -5.723
  111   1HB   ALA  20          1HB       ALA  20  -2.486   5.291  -3.219
  112   2HB   ALA  20          2HB       ALA  20  -2.756   5.822  -4.878
  113   3HB   ALA  20          3HB       ALA  20  -1.324   6.360  -4.003
  114    H    LYS  21           H        LYS  21   0.597   5.211  -6.198
  115    HA   LYS  21           HA       LYS  21   2.818   4.408  -4.387
  116   1HB   LYS  21          1HB       LYS  21   4.182   4.798  -6.411
  117   2HB   LYS  21          2HB       LYS  21   2.816   3.744  -6.778
  118   1HG   LYS  21          1HG       LYS  21   1.843   6.354  -7.150
  119   2HG   LYS  21          2HG       LYS  21   3.454   6.360  -7.864
  120   1HD   LYS  21          1HD       LYS  21   2.382   3.929  -8.689
  121   2HD   LYS  21          2HD       LYS  21   1.018   5.041  -8.796
  122   1HE   LYS  21          1HE       LYS  21   1.892   5.942 -10.683
  123   2HE   LYS  21          2HE       LYS  21   3.385   6.344  -9.814
  124   1HZ   LYS  21          1HZ       LYS  21   4.255   4.206 -10.206
  125   2HZ   LYS  21          2HZ       LYS  21   3.597   4.681 -11.700
  126   3HZ   LYS  21          3HZ       LYS  21   2.758   3.586 -10.707
  127    H    THR  22           H        THR  22   4.009   5.947  -3.288
  128    HA   THR  22           HA       THR  22   3.235   8.805  -3.750
  129    HB   THR  22           HB       THR  22   2.785   7.963  -1.529
  130    HG1  THR  22           HG1      THR  22   5.223   9.380  -1.347
  131   1HG2  THR  22          1HG2      THR  22   4.963   7.255  -0.205
  132   2HG2  THR  22          2HG2      THR  22   5.544   6.840  -1.817
  133   3HG2  THR  22          3HG2      THR  22   4.085   6.079  -1.181
  134    H    SER  23           H        SER  23   5.481   7.036  -5.090
  135    HA   SER  23           HA       SER  23   7.357   9.170  -5.487
  136   1HB   SER  23          1HB       SER  23   7.760   7.320  -3.204
  137   2HB   SER  23          2HB       SER  23   9.189   7.623  -4.192
  138    HG   SER  23           HG       SER  23   7.755   9.326  -2.552
  139    H    SER  24           H        SER  24   8.631   5.926  -4.985
  140    HA   SER  24           HA       SER  24   8.359   5.318  -7.896
  141   1HB   SER  24          1HB       SER  24  10.810   5.849  -6.260
  142   2HB   SER  24          2HB       SER  24  10.909   4.590  -7.491
  143    HG   SER  24           HG       SER  24  11.347   6.944  -8.040
  144    H    GLY  25           H        GLY  25   6.890   3.629  -7.213
  145   1HA   GLY  25          1HA       GLY  25   6.659   1.264  -6.903
  146   2HA   GLY  25          2HA       GLY  25   8.270   1.219  -6.191
  147    H    GLN  26           H        GLN  26   7.168   3.762  -4.618
  148    HA   GLN  26           HA       GLN  26   6.555   2.313  -2.195
  149   1HB   GLN  26          1HB       GLN  26   6.874   5.093  -3.158
  150   2HB   GLN  26          2HB       GLN  26   5.799   4.912  -1.770
  151   1HG   GLN  26          1HG       GLN  26   7.753   5.000  -0.588
  152   2HG   GLN  26          2HG       GLN  26   7.841   3.291  -1.008
  153   1HE2  GLN  26          1HE2      GLN  26   9.792   5.908  -0.916
  154   2HE2  GLN  26          2HE2      GLN  26  10.792   5.601  -2.252
  155    H    ARG  27           H        ARG  27   4.735   1.172  -3.649
  156    HA   ARG  27           HA       ARG  27   2.233   2.590  -4.016
  157   1HB   ARG  27          1HB       ARG  27   1.360   0.161  -4.144
  158   2HB   ARG  27          2HB       ARG  27   2.538   0.638  -5.345
  159   1HG   ARG  27          1HG       ARG  27   4.102  -0.802  -4.562
  160   2HG   ARG  27          2HG       ARG  27   3.724  -0.434  -2.880
  161   1HD   ARG  27          1HD       ARG  27   2.373  -2.240  -2.722
  162   2HD   ARG  27          2HD       ARG  27   1.533  -1.807  -4.217
  163    HE   ARG  27           HE       ARG  27   4.286  -2.915  -4.451
  164   1HH1  ARG  27          1HH1      ARG  27   0.849  -3.405  -4.806
  165   2HH1  ARG  27          2HH1      ARG  27   1.051  -4.778  -5.828
  166   1HH2  ARG  27          1HH2      ARG  27   4.501  -4.695  -5.776
  167   2HH2  ARG  27          2HH2      ARG  27   3.091  -5.507  -6.372
  168    H    TYR  28           H        TYR  28   2.106   3.555  -1.840
  169    HA   TYR  28           HA       TYR  28   1.725   1.891   0.499
  170   1HB   TYR  28          1HB       TYR  28   1.141   3.992   1.566
  171   2HB   TYR  28          2HB       TYR  28   2.466   4.313   0.450
  172    HD1  TYR  28           HD1      TYR  28  -1.141   4.697   1.052
  173    HD2  TYR  28           HD2      TYR  28   2.122   5.583  -1.588
  174    HE1  TYR  28           HE1      TYR  28  -2.548   6.340  -0.133
  175    HE2  TYR  28           HE2      TYR  28   0.713   7.228  -2.780
  176    HH   TYR  28           HH       TYR  28  -2.339   8.270  -1.546
  177    H    PHE  29           H        PHE  29  -0.278   1.189   1.370
  178    HA   PHE  29           HA       PHE  29  -2.412   1.131  -0.655
  179   1HB   PHE  29          1HB       PHE  29  -1.746  -0.426   1.828
  180   2HB   PHE  29          2HB       PHE  29  -3.268  -0.664   0.951
  181    HD1  PHE  29           HD1      PHE  29   0.376  -1.037   0.839
  182    HD2  PHE  29           HD2      PHE  29  -3.254  -1.310  -1.433
  183    HE1  PHE  29           HE1      PHE  29   1.599  -2.192  -0.977
  184    HE2  PHE  29           HE2      PHE  29  -2.035  -2.476  -3.250
  185    HZ   PHE  29           HZ       PHE  29   0.392  -2.915  -3.021
  186    H    LEU  30           H        LEU  30  -4.145   2.212  -0.591
  187    HA   LEU  30           HA       LEU  30  -4.688   4.191   1.475
  188   1HB   LEU  30          1HB       LEU  30  -5.601   3.366  -1.249
  189   2HB   LEU  30          2HB       LEU  30  -6.648   4.448  -0.320
  190    HG   LEU  30           HG       LEU  30  -3.703   4.942  -0.810
  191   1HD1  LEU  30          1HD1      LEU  30  -4.993   4.924  -2.934
  192   2HD1  LEU  30          2HD1      LEU  30  -4.422   6.543  -2.530
  193   3HD1  LEU  30          3HD1      LEU  30  -6.107   6.108  -2.252
  194   1HD2  LEU  30          1HD2      LEU  30  -5.964   6.764   0.090
  195   2HD2  LEU  30          2HD2      LEU  30  -4.273   7.229  -0.089
  196   3HD2  LEU  30          3HD2      LEU  30  -4.744   6.076   1.157
  197    H    ASN  31           H        ASN  31  -5.703   3.431   3.318
  198    HA   ASN  31           HA       ASN  31  -7.511   1.170   3.372
  199   1HB   ASN  31          1HB       ASN  31  -6.036   2.450   5.188
  200   2HB   ASN  31          2HB       ASN  31  -7.522   3.371   5.413
  201   1HD2  ASN  31          1HD2      ASN  31  -9.235   0.983   4.701
  202   2HD2  ASN  31          2HD2      ASN  31  -9.160  -0.036   6.055
  203    H    HIS  32           H        HIS  32  -9.510   1.293   2.380
  204    HA   HIS  32           HA       HIS  32 -10.836   3.884   1.965
  205   1HB   HIS  32          1HB       HIS  32 -10.732   1.404   0.713
  206   2HB   HIS  32          2HB       HIS  32 -12.347   1.431   1.421
  207    HD1  HIS  32           HD1      HIS  32 -14.048   3.077   0.449
  208    HD2  HIS  32           HD2      HIS  32 -10.247   3.510  -1.206
  209    HE1  HIS  32           HE1      HIS  32 -14.303   4.634  -1.532
  210    H    ILE  33           H        ILE  33 -11.736   0.820   3.605
  211    HA   ILE  33           HA       ILE  33 -14.113   1.717   4.840
  212    HB   ILE  33           HB       ILE  33 -13.608  -0.161   6.429
  213   1HG1  ILE  33          1HG1      ILE  33 -11.113  -0.771   4.924
  214   2HG1  ILE  33          2HG1      ILE  33 -11.017   0.521   6.120
  215   1HG2  ILE  33          1HG2      ILE  33 -12.870  -1.688   4.228
  216   2HG2  ILE  33          2HG2      ILE  33 -13.646  -0.279   3.507
  217   3HG2  ILE  33          3HG2      ILE  33 -14.520  -1.265   4.679
  218   1HD1  ILE  33          1HD1      ILE  33 -12.373  -2.039   6.887
  219   2HD1  ILE  33          2HD1      ILE  33 -11.475  -0.903   7.896
  220   3HD1  ILE  33          3HD1      ILE  33 -10.610  -2.005   6.826
  221    H    ASP  34           H        ASP  34 -10.798   2.481   5.577
  222    HA   ASP  34           HA       ASP  34 -11.688   3.870   8.085
  223   1HB   ASP  34          1HB       ASP  34 -10.055   1.805   8.055
  224   2HB   ASP  34          2HB       ASP  34  -8.864   2.998   7.534
  225    H    GLN  35           H        GLN  35 -10.540   4.329   4.925
  226    HA   GLN  35           HA       GLN  35  -9.664   6.210   3.805
  227   1HB   GLN  35          1HB       GLN  35 -10.704   7.545   6.324
  228   2HB   GLN  35          2HB       GLN  35 -10.412   8.337   4.776
  229   1HG   GLN  35          1HG       GLN  35 -12.493   7.777   4.125
  230   2HG   GLN  35          2HG       GLN  35 -12.052   6.074   4.256
  231   1HE2  GLN  35          1HE2      GLN  35 -14.069   8.504   5.575
  232   2HE2  GLN  35          2HE2      GLN  35 -14.557   7.671   6.972
  233    H    THR  36           H        THR  36  -7.459   5.223   4.326
  234    HA   THR  36           HA       THR  36  -5.788   7.262   5.648
  235    HB   THR  36           HB       THR  36  -5.322   4.526   6.696
  236    HG1  THR  36           HG1      THR  36  -7.184   4.314   7.614
  237   1HG2  THR  36          1HG2      THR  36  -3.991   5.950   7.857
  238   2HG2  THR  36          2HG2      THR  36  -5.447   6.255   8.806
  239   3HG2  THR  36          3HG2      THR  36  -5.006   7.347   7.493
  240    H    THR  37           H        THR  37  -3.381   6.306   5.646
  241    HA   THR  37           HA       THR  37  -2.978   4.691   3.147
  242    HB   THR  37           HB       THR  37  -1.218   6.265   2.507
  243    HG1  THR  37           HG1      THR  37  -1.935   7.824   4.746
  244   1HG2  THR  37          1HG2      THR  37  -2.784   7.556   1.550
  245   2HG2  THR  37          2HG2      THR  37  -3.058   8.392   3.078
  246   3HG2  THR  37          3HG2      THR  37  -3.972   6.937   2.694
  247    H    THR  38           H        THR  38  -1.553   3.010   3.495
  248    HA   THR  38           HA       THR  38   0.400   3.264   5.755
  249    HB   THR  38           HB       THR  38  -1.554   1.980   6.491
  250    HG1  THR  38           HG1      THR  38  -0.222   0.665   7.404
  251   1HG2  THR  38          1HG2      THR  38  -2.619   1.158   4.607
  252   2HG2  THR  38          2HG2      THR  38  -1.808  -0.300   5.182
  253   3HG2  THR  38          3HG2      THR  38  -1.112   0.633   3.856
  254    H    TRP  39           H        TRP  39   2.075   1.395   5.555
  255    HA   TRP  39           HA       TRP  39   2.886   1.208   2.685
  256   1HB   TRP  39          1HB       TRP  39   4.488   0.682   5.210
  257   2HB   TRP  39          2HB       TRP  39   5.123   0.942   3.587
  258    HD1  TRP  39           HD1      TRP  39   4.335   2.733   6.699
  259    HE1  TRP  39           HE1      TRP  39   4.431   5.284   6.341
  260    HE3  TRP  39           HE3      TRP  39   4.462   2.905   1.597
  261    HZ2  TRP  39           HZ2      TRP  39   4.544   7.150   4.179
  262    HZ3  TRP  39           HZ3      TRP  39   4.562   5.080   0.415
  263    HH2  TRP  39           HH2      TRP  39   4.602   7.203   1.699
  264    H    GLN  40           H        GLN  40   3.164  -0.824   5.630
  265    HA   GLN  40           HA       GLN  40   3.675  -3.290   4.387
  266   1HB   GLN  40          1HB       GLN  40   3.793  -2.863   6.796
  267   2HB   GLN  40          2HB       GLN  40   2.047  -2.618   6.861
  268   1HG   GLN  40          1HG       GLN  40   1.741  -4.964   6.040
  269   2HG   GLN  40          2HG       GLN  40   3.487  -5.189   6.142
  270   1HE2  GLN  40          1HE2      GLN  40   0.847  -6.032   7.821
  271   2HE2  GLN  40          2HE2      GLN  40   1.419  -5.907   9.414
  272    H    ASP  41           H        ASP  41   2.461  -4.480   2.977
  273    HA   ASP  41           HA       ASP  41  -0.258  -3.774   2.287
  274   1HB   ASP  41          1HB       ASP  41   1.331  -4.717   0.696
  275   2HB   ASP  41          2HB       ASP  41   1.512  -6.164   1.687
  276    HA   PRO  42           HA       PRO  42  -1.939  -6.209   5.685
  277   1HB   PRO  42          1HB       PRO  42  -4.569  -5.606   5.213
  278   2HB   PRO  42          2HB       PRO  42  -3.459  -4.507   6.053
  279   1HG   PRO  42          1HG       PRO  42  -4.381  -4.478   3.218
  280   2HG   PRO  42          2HG       PRO  42  -4.121  -3.127   4.331
  281   1HD   PRO  42          1HD       PRO  42  -2.351  -3.832   2.378
  282   2HD   PRO  42          2HD       PRO  42  -1.871  -3.036   3.892
  283    H    ARG  43           H        ARG  43  -1.117  -7.861   3.784
  284    HA   ARG  43           HA       ARG  43  -3.198  -9.847   3.527
  285   1HB   ARG  43          1HB       ARG  43  -3.761  -7.981   1.834
  286   2HB   ARG  43          2HB       ARG  43  -2.347  -8.538   0.938
  287   1HG   ARG  43          1HG       ARG  43  -3.647 -10.902   1.471
  288   2HG   ARG  43          2HG       ARG  43  -4.996  -9.792   1.237
  289   1HD   ARG  43          1HD       ARG  43  -4.391  -9.325  -0.981
  290   2HD   ARG  43          2HD       ARG  43  -2.698  -9.780  -0.716
  291    HE   ARG  43           HE       ARG  43  -4.896 -11.618  -1.306
  292   1HH1  ARG  43          1HH1      ARG  43  -1.792 -11.228   0.223
  293   2HH1  ARG  43          2HH1      ARG  43  -1.408 -12.911   0.117
  294   1HH2  ARG  43          1HH2      ARG  43  -4.372 -13.797  -1.432
  295   2HH2  ARG  43          2HH2      ARG  43  -2.854 -14.356  -0.813
  296    H    LYS  44           H        LYS  44  -0.353  -8.705   1.655
  297    HA   LYS  44           HA       LYS  44   1.605  -9.864   1.014
  298   1HB   LYS  44          1HB       LYS  44   1.353  -9.889   3.684
  299   2HB   LYS  44          2HB       LYS  44   1.254 -11.627   3.401
  300   1HG   LYS  44          1HG       LYS  44   3.480 -11.728   3.086
  301   2HG   LYS  44          2HG       LYS  44   3.372 -10.536   1.791
  302   1HD   LYS  44          1HD       LYS  44   4.808  -9.553   3.417
  303   2HD   LYS  44          2HD       LYS  44   3.247  -8.767   3.650
  304   1HE   LYS  44          1HE       LYS  44   3.099 -11.044   5.270
  305   2HE   LYS  44          2HE       LYS  44   4.750 -10.442   5.508
  306   1HZ   LYS  44          1HZ       LYS  44   3.880  -8.238   5.890
  307   2HZ   LYS  44          2HZ       LYS  44   3.109  -9.318   6.952
  308   3HZ   LYS  44          3HZ       LYS  44   2.297  -8.756   5.570
  309    H    GLY   3           H        GLY   3   6.577  10.126   5.894
  310   1HA   GLY   3          1HA       GLY   3   4.792  10.135   8.021
  311   2HA   GLY   3          2HA       GLY   3   4.453  11.642   7.169
  312    HA   PRO   4           HA       PRO   4   2.379   7.949   5.092
  313   1HB   PRO   4          1HB       PRO   4  -0.212   8.506   5.775
  314   2HB   PRO   4          2HB       PRO   4   0.841   7.464   6.748
  315   1HG   PRO   4          1HG       PRO   4   0.096  10.321   7.150
  316   2HG   PRO   4          2HG       PRO   4   0.298   9.029   8.344
  317   1HD   PRO   4          1HD       PRO   4   2.176  10.956   7.861
  318   2HD   PRO   4          2HD       PRO   4   2.565   9.334   8.470
  319    HA   PRO   5           HA       PRO   5   1.488  10.813   1.835
  320   1HB   PRO   5          1HB       PRO   5   0.339   9.091   0.045
  321   2HB   PRO   5          2HB       PRO   5   2.085   9.143   0.354
  322   1HG   PRO   5          1HG       PRO   5   0.029   7.245   1.379
  323   2HG   PRO   5          2HG       PRO   5   1.689   6.932   0.855
  324   1HD   PRO   5          1HD       PRO   5   0.928   7.108   3.475
  325   2HD   PRO   5          2HD       PRO   5   2.565   7.484   2.900
  326    HA   PRO   6           HA       PRO   6  -2.754  11.919   2.304
  327   1HB   PRO   6          1HB       PRO   6  -3.318  13.105  -0.097
  328   2HB   PRO   6          2HB       PRO   6  -2.301  13.865   1.142
  329   1HG   PRO   6          1HG       PRO   6  -1.512  12.425  -1.343
  330   2HG   PRO   6          2HG       PRO   6  -0.806  13.870  -0.606
  331   1HD   PRO   6          1HD       PRO   6   0.274  11.364  -0.392
  332   2HD   PRO   6          2HD       PRO   6   0.515  12.649   0.810
  333    H    TYR   7           H        TYR   7  -4.957  11.785   0.923
  334    HA   TYR   7           HA       TYR   7  -5.084   8.993  -0.138
  335   1HB   TYR   7          1HB       TYR   7  -6.440  10.047   1.871
  336   2HB   TYR   7          2HB       TYR   7  -7.446  10.708   0.581
  337    HD1  TYR   7           HD1      TYR   7  -6.989   7.940   2.703
  338    HD2  TYR   7           HD2      TYR   7  -8.062   8.938  -1.336
  339    HE1  TYR   7           HE1      TYR   7  -8.122   5.750   2.461
  340    HE2  TYR   7           HE2      TYR   7  -9.196   6.747  -1.576
  341    HH   TYR   7           HH       TYR   7  -8.698   4.233   0.066
  342   1HN   NH2   8          1HN       NH2   8  -4.770   9.165  -2.419
  343   2HN   NH2   8          2HN       NH2   8  -5.672  10.197  -3.421
  344   1H1   OCT   2          1H1       OCT   2   6.637  11.438   8.578
  345   2H1   OCT   2          2H1       OCT   2   7.886  11.844   7.384
  346   1H2   OCT   2          1H2       OCT   2   8.041   9.190   7.178
  347   2H2   OCT   2          2H2       OCT   2   7.392   9.251   8.816
  348   1H3   OCT   2          1H3       OCT   2   9.270  11.013   9.234
  349   2H3   OCT   2          2H3       OCT   2   9.997  10.345   7.772
  350   1H4   OCT   2          1H4       OCT   2   9.105   8.599  10.076
  351   2H4   OCT   2          2H4       OCT   2  10.727   9.287   9.991
  352   1H5   OCT   2          1H5       OCT   2  10.958   8.238   7.706
  353   2H5   OCT   2          2H5       OCT   2   9.422   7.418   7.992
  354   1H6   OCT   2          1H6       OCT   2  11.567   7.203  10.073
  355   2H6   OCT   2          2H6       OCT   2  11.725   6.244   8.602
  356   1H7   OCT   2          1H7       OCT   2  10.460   4.766   9.834
  357   2H7   OCT   2          2H7       OCT   2   9.145   5.729   9.158
  358   1H8   OCT   2          1H8       OCT   2   9.472   5.285  11.825
  359   2H8   OCT   2          2H8       OCT   2   8.659   6.704  11.165
  360   3H8   OCT   2          3H8       OCT   2  10.355   6.800  11.641
  Start of MODEL   20
    1    H    PHE   5           H        PHE   5  14.972  -9.413  -3.267
    2    HA   PHE   5           HA       PHE   5  12.883 -11.124  -4.582
    3   1HB   PHE   5          1HB       PHE   5  13.456 -10.316  -1.759
    4   2HB   PHE   5          2HB       PHE   5  11.767 -10.513  -2.226
    5    HD1  PHE   5           HD1      PHE   5  14.457 -12.202  -0.842
    6    HD2  PHE   5           HD2      PHE   5  11.431 -12.698  -3.849
    7    HE1  PHE   5           HE1      PHE   5  14.694 -14.665  -0.674
    8    HE2  PHE   5           HE2      PHE   5  11.668 -15.162  -3.682
    9    HZ   PHE   5           HZ       PHE   5  13.300 -16.145  -2.095
   10    H    GLU   6           H        GLU   6  11.323  -9.961  -5.647
   11    HA   GLU   6           HA       GLU   6  11.134  -7.021  -5.083
   12   1HB   GLU   6          1HB       GLU   6  10.379  -6.902  -7.442
   13   2HB   GLU   6          2HB       GLU   6  11.955  -7.685  -7.317
   14   1HG   GLU   6          1HG       GLU   6  10.987  -9.866  -7.567
   15   2HG   GLU   6          2HG       GLU   6   9.354  -9.232  -7.370
   16    H    ILE   7           H        ILE   7   8.873  -6.133  -5.531
   17    HA   ILE   7           HA       ILE   7   6.896  -7.707  -4.060
   18    HB   ILE   7           HB       ILE   7   7.170  -5.269  -3.818
   19   1HG1  ILE   7          1HG1      ILE   7   4.675  -4.708  -4.632
   20   2HG1  ILE   7          2HG1      ILE   7   4.614  -6.463  -4.799
   21   1HG2  ILE   7          1HG2      ILE   7   5.898  -4.490  -6.306
   22   2HG2  ILE   7          2HG2      ILE   7   7.398  -5.363  -6.620
   23   3HG2  ILE   7          3HG2      ILE   7   7.413  -3.918  -5.606
   24   1HD1  ILE   7          1HD1      ILE   7   5.575  -5.068  -2.287
   25   2HD1  ILE   7          2HD1      ILE   7   5.201  -6.780  -2.485
   26   3HD1  ILE   7          3HD1      ILE   7   3.906  -5.582  -2.527
   27    HA   PRO   8           HA       PRO   8   5.131  -9.552  -7.689
   28   1HB   PRO   8          1HB       PRO   8   2.749 -10.363  -6.614
   29   2HB   PRO   8          2HB       PRO   8   4.283 -11.196  -6.303
   30   1HG   PRO   8          1HG       PRO   8   2.792  -9.258  -4.601
   31   2HG   PRO   8          2HG       PRO   8   3.684 -10.712  -4.136
   32   1HD   PRO   8          1HD       PRO   8   4.664  -8.172  -3.865
   33   2HD   PRO   8          2HD       PRO   8   5.688  -9.608  -4.069
   34    H    ASP   9           H        ASP   9   2.418  -9.533  -8.348
   35    HA   ASP   9           HA       ASP   9   1.394  -6.771  -8.154
   36   1HB   ASP   9          1HB       ASP   9   3.197  -6.876  -9.944
   37   2HB   ASP   9          2HB       ASP   9   2.145  -7.980 -10.831
   38    H    ASP  10           H        ASP  10   0.590  -9.714  -7.695
   39    HA   ASP  10           HA       ASP  10  -1.883  -9.707  -9.395
   40   1HB   ASP  10          1HB       ASP  10  -0.305 -11.562  -9.792
   41   2HB   ASP  10          2HB       ASP  10  -0.355 -11.976  -8.078
   42    H    VAL  11           H        VAL  11  -0.604  -9.686  -6.158
   43    HA   VAL  11           HA       VAL  11  -2.668 -10.800  -4.620
   44    HB   VAL  11           HB       VAL  11  -0.938  -8.346  -4.189
   45   1HG1  VAL  11          1HG1      VAL  11  -2.826  -9.834  -2.385
   46   2HG1  VAL  11          2HG1      VAL  11  -2.551  -8.098  -2.516
   47   3HG1  VAL  11          3HG1      VAL  11  -1.364  -9.118  -1.707
   48   1HG2  VAL  11          1HG2      VAL  11  -0.272 -11.041  -4.441
   49   2HG2  VAL  11          2HG2      VAL  11  -0.340 -10.784  -2.696
   50   3HG2  VAL  11          3HG2      VAL  11   0.726  -9.793  -3.693
   51    HA   PRO  12           HA       PRO  12  -5.934  -7.955  -5.839
   52   1HB   PRO  12          1HB       PRO  12  -7.948  -9.182  -4.456
   53   2HB   PRO  12          2HB       PRO  12  -7.339  -9.780  -6.012
   54   1HG   PRO  12          1HG       PRO  12  -6.775 -10.741  -3.252
   55   2HG   PRO  12          2HG       PRO  12  -6.975 -11.663  -4.749
   56   1HD   PRO  12          1HD       PRO  12  -4.550 -11.079  -3.599
   57   2HD   PRO  12          2HD       PRO  12  -4.780 -11.428  -5.324
   58    H    LEU  13           H        LEU  13  -4.456  -8.357  -2.841
   59    HA   LEU  13           HA       LEU  13  -4.476  -7.067  -0.867
   60   1HB   LEU  13          1HB       LEU  13  -5.144  -5.420  -3.114
   61   2HB   LEU  13          2HB       LEU  13  -6.123  -4.895  -1.743
   62    HG   LEU  13           HG       LEU  13  -3.675  -5.282  -0.560
   63   1HD1  LEU  13          1HD1      LEU  13  -2.447  -3.700  -2.486
   64   2HD1  LEU  13          2HD1      LEU  13  -3.272  -4.937  -3.435
   65   3HD1  LEU  13          3HD1      LEU  13  -2.115  -5.407  -2.191
   66   1HD2  LEU  13          1HD2      LEU  13  -3.761  -2.603  -1.562
   67   2HD2  LEU  13          2HD2      LEU  13  -4.212  -3.181   0.041
   68   3HD2  LEU  13          3HD2      LEU  13  -5.416  -3.124  -1.248
   69    HA   PRO  14           HA       PRO  14  -8.430  -7.567   1.022
   70   1HB   PRO  14          1HB       PRO  14  -8.583  -5.509   2.820
   71   2HB   PRO  14          2HB       PRO  14  -7.465  -6.871   2.995
   72   1HG   PRO  14          1HG       PRO  14  -6.915  -4.090   2.303
   73   2HG   PRO  14          2HG       PRO  14  -5.816  -5.336   2.889
   74   1HD   PRO  14          1HD       PRO  14  -6.180  -4.389   0.197
   75   2HD   PRO  14          2HD       PRO  14  -5.020  -5.590   0.794
   76    H    ALA  15           H        ALA  15 -10.665  -6.761   1.273
   77    HA   ALA  15           HA       ALA  15 -11.549  -5.123  -0.941
   78   1HB   ALA  15          1HB       ALA  15 -12.979  -6.850  -0.165
   79   2HB   ALA  15          2HB       ALA  15 -13.752  -5.373   0.409
   80   3HB   ALA  15          3HB       ALA  15 -12.797  -6.356   1.518
   81    H    GLY  16           H        GLY  16 -12.810  -3.084  -0.677
   82   1HA   GLY  16          1HA       GLY  16 -12.914  -0.848   0.052
   83   2HA   GLY  16          2HA       GLY  16 -12.972  -1.538   1.674
   84    H    TRP  17           H        TRP  17 -10.316  -1.857  -0.645
   85    HA   TRP  17           HA       TRP  17  -8.637  -0.035   1.021
   86   1HB   TRP  17          1HB       TRP  17  -8.599  -2.957   0.848
   87   2HB   TRP  17          2HB       TRP  17  -7.033  -2.241   0.479
   88    HD1  TRP  17           HD1      TRP  17  -9.585  -2.594   3.287
   89    HE1  TRP  17           HE1      TRP  17  -8.465  -1.905   5.507
   90    HE3  TRP  17           HE3      TRP  17  -5.165  -0.774   1.510
   91    HZ2  TRP  17           HZ2      TRP  17  -6.009  -0.743   6.407
   92    HZ3  TRP  17           HZ3      TRP  17  -3.452   0.113   3.063
   93    HH2  TRP  17           HH2      TRP  17  -3.868   0.132   5.507
   94    H    GLU  18           H        GLU  18  -8.377   1.415  -0.784
   95    HA   GLU  18           HA       GLU  18  -7.573   0.382  -3.414
   96   1HB   GLU  18          1HB       GLU  18  -8.842   2.607  -2.615
   97   2HB   GLU  18          2HB       GLU  18  -7.191   3.233  -2.570
   98   1HG   GLU  18          1HG       GLU  18  -7.405   3.596  -4.783
   99   2HG   GLU  18          2HG       GLU  18  -7.284   1.848  -4.974
  100    H    MET  19           H        MET  19  -5.479   1.653  -4.300
  101    HA   MET  19           HA       MET  19  -3.354   1.861  -2.273
  102   1HB   MET  19          1HB       MET  19  -1.976   0.197  -3.560
  103   2HB   MET  19          2HB       MET  19  -3.320  -0.507  -2.678
  104   1HG   MET  19          1HG       MET  19  -3.776   0.379  -5.508
  105   2HG   MET  19          2HG       MET  19  -2.881  -1.116  -5.240
  106   1HE   MET  19          1HE       MET  19  -4.948  -3.415  -3.385
  107   2HE   MET  19          2HE       MET  19  -3.386  -2.833  -3.954
  108   3HE   MET  19          3HE       MET  19  -4.528  -3.535  -5.099
  109    H    ALA  20           H        ALA  20  -1.337   2.693  -3.265
  110    HA   ALA  20           HA       ALA  20  -1.357   3.602  -6.026
  111   1HB   ALA  20          1HB       ALA  20  -2.239   5.698  -5.734
  112   2HB   ALA  20          2HB       ALA  20  -1.492   5.893  -4.148
  113   3HB   ALA  20          3HB       ALA  20  -2.986   4.969  -4.313
  114    H    LYS  21           H        LYS  21   0.668   4.706  -6.540
  115    HA   LYS  21           HA       LYS  21   2.811   4.085  -4.587
  116   1HB   LYS  21          1HB       LYS  21   4.252   4.452  -6.566
  117   2HB   LYS  21          2HB       LYS  21   2.938   3.336  -6.941
  118   1HG   LYS  21          1HG       LYS  21   1.907   5.911  -7.441
  119   2HG   LYS  21          2HG       LYS  21   3.533   5.912  -8.124
  120   1HD   LYS  21          1HD       LYS  21   3.037   4.252  -9.657
  121   2HD   LYS  21          2HD       LYS  21   1.808   3.521  -8.625
  122   1HE   LYS  21          1HE       LYS  21   0.193   4.687  -9.708
  123   2HE   LYS  21          2HE       LYS  21   1.005   6.213  -9.310
  124   1HZ   LYS  21          1HZ       LYS  21   2.507   5.877 -11.154
  125   2HZ   LYS  21          2HZ       LYS  21   0.910   5.799 -11.726
  126   3HZ   LYS  21          3HZ       LYS  21   1.808   4.374 -11.510
  127    H    THR  22           H        THR  22   3.971   5.675  -3.512
  128    HA   THR  22           HA       THR  22   3.395   8.523  -4.305
  129    HB   THR  22           HB       THR  22   2.242   7.791  -2.247
  130    HG1  THR  22           HG1      THR  22   3.287   9.927  -2.507
  131   1HG2  THR  22          1HG2      THR  22   3.581   7.157  -0.274
  132   2HG2  THR  22          2HG2      THR  22   5.049   7.238  -1.248
  133   3HG2  THR  22          3HG2      THR  22   3.824   6.020  -1.600
  134    H    SER  23           H        SER  23   5.803   6.396  -4.554
  135    HA   SER  23           HA       SER  23   7.898   8.372  -4.621
  136   1HB   SER  23          1HB       SER  23   7.273   7.044  -2.083
  137   2HB   SER  23          2HB       SER  23   8.961   6.847  -2.552
  138    HG   SER  23           HG       SER  23   9.104   9.093  -2.778
  139    H    SER  24           H        SER  24   8.661   7.389  -6.519
  140    HA   SER  24           HA       SER  24   9.652   5.732  -7.895
  141   1HB   SER  24          1HB       SER  24  10.912   5.949  -5.348
  142   2HB   SER  24          2HB       SER  24  10.915   4.242  -5.788
  143    HG   SER  24           HG       SER  24  12.714   5.207  -6.680
  144    H    GLY  25           H        GLY  25   6.975   5.133  -6.977
  145   1HA   GLY  25          1HA       GLY  25   5.580   3.241  -7.316
  146   2HA   GLY  25          2HA       GLY  25   7.007   2.207  -7.308
  147    H    GLN  26           H        GLN  26   6.714   4.517  -4.735
  148    HA   GLN  26           HA       GLN  26   6.834   2.564  -2.663
  149   1HB   GLN  26          1HB       GLN  26   6.846   5.362  -2.971
  150   2HB   GLN  26          2HB       GLN  26   5.468   5.031  -1.921
  151   1HG   GLN  26          1HG       GLN  26   7.521   5.337  -0.592
  152   2HG   GLN  26          2HG       GLN  26   6.922   3.686  -0.441
  153   1HE2  GLN  26          1HE2      GLN  26   8.251   1.980  -1.252
  154   2HE2  GLN  26          2HE2      GLN  26   9.778   2.241  -1.943
  155    H    ARG  27           H        ARG  27   5.215   0.987  -3.164
  156    HA   ARG  27           HA       ARG  27   2.483   1.533  -3.705
  157   1HB   ARG  27          1HB       ARG  27   4.226  -0.719  -3.089
  158   2HB   ARG  27          2HB       ARG  27   2.603  -0.944  -2.443
  159   1HG   ARG  27          1HG       ARG  27   2.067   0.084  -4.920
  160   2HG   ARG  27          2HG       ARG  27   3.516  -0.868  -5.246
  161   1HD   ARG  27          1HD       ARG  27   1.874  -2.436  -3.535
  162   2HD   ARG  27          2HD       ARG  27   0.830  -1.807  -4.822
  163    HE   ARG  27           HE       ARG  27   2.981  -3.720  -5.180
  164   1HH1  ARG  27          1HH1      ARG  27   1.354  -1.010  -6.640
  165   2HH1  ARG  27          2HH1      ARG  27   1.770  -1.487  -8.249
  166   1HH2  ARG  27          1HH2      ARG  27   3.507  -4.318  -7.279
  167   2HH2  ARG  27          2HH2      ARG  27   2.979  -3.346  -8.611
  168    H    TYR  28           H        TYR  28   1.871   3.168  -2.104
  169    HA   TYR  28           HA       TYR  28   1.572   2.121   0.662
  170   1HB   TYR  28          1HB       TYR  28   1.337   4.396   1.304
  171   2HB   TYR  28          2HB       TYR  28   2.497   4.481  -0.018
  172    HD1  TYR  28           HD1      TYR  28  -1.077   4.906   0.876
  173    HD2  TYR  28           HD2      TYR  28   1.976   5.615  -2.055
  174    HE1  TYR  28           HE1      TYR  28  -2.614   6.399  -0.358
  175    HE2  TYR  28           HE2      TYR  28   0.442   7.109  -3.294
  176    HH   TYR  28           HH       TYR  28  -1.758   7.718  -3.514
  177    H    PHE  29           H        PHE  29  -0.373   1.328   1.291
  178    HA   PHE  29           HA       PHE  29  -2.482   1.355  -0.743
  179   1HB   PHE  29          1HB       PHE  29  -1.939  -0.206   1.760
  180   2HB   PHE  29          2HB       PHE  29  -3.393  -0.438   0.789
  181    HD1  PHE  29           HD1      PHE  29  -1.895  -2.776   0.957
  182    HD2  PHE  29           HD2      PHE  29  -1.040   0.575  -1.608
  183    HE1  PHE  29           HE1      PHE  29  -0.637  -4.246  -0.579
  184    HE2  PHE  29           HE2      PHE  29   0.203  -0.897  -3.122
  185    HZ   PHE  29           HZ       PHE  29   0.411  -3.311  -2.617
  186    H    LEU  30           H        LEU  30  -4.319   2.257  -0.656
  187    HA   LEU  30           HA       LEU  30  -4.896   4.282   1.386
  188   1HB   LEU  30          1HB       LEU  30  -5.719   3.445  -1.367
  189   2HB   LEU  30          2HB       LEU  30  -6.788   4.539  -0.467
  190    HG   LEU  30           HG       LEU  30  -3.828   5.002  -0.947
  191   1HD1  LEU  30          1HD1      LEU  30  -4.833   6.903  -2.408
  192   2HD1  LEU  30          2HD1      LEU  30  -6.306   5.935  -2.391
  193   3HD1  LEU  30          3HD1      LEU  30  -4.821   5.269  -3.069
  194   1HD2  LEU  30          1HD2      LEU  30  -4.521   7.356  -0.232
  195   2HD2  LEU  30          2HD2      LEU  30  -4.527   6.141   1.045
  196   3HD2  LEU  30          3HD2      LEU  30  -6.043   6.648   0.302
  197    H    ASN  31           H        ASN  31  -5.773   3.203   3.213
  198    HA   ASN  31           HA       ASN  31  -7.719   1.063   3.024
  199   1HB   ASN  31          1HB       ASN  31  -6.143   1.643   4.938
  200   2HB   ASN  31          2HB       ASN  31  -7.203   3.005   5.298
  201   1HD2  ASN  31          1HD2      ASN  31  -7.161   1.363   7.383
  202   2HD2  ASN  31          2HD2      ASN  31  -8.488   0.308   7.435
  203    H    HIS  32           H        HIS  32  -9.787   1.395   2.289
  204    HA   HIS  32           HA       HIS  32 -10.954   4.089   2.209
  205   1HB   HIS  32          1HB       HIS  32 -11.188   1.608   0.861
  206   2HB   HIS  32          2HB       HIS  32 -12.763   1.925   1.586
  207    HD1  HIS  32           HD1      HIS  32 -14.159   3.811   0.600
  208    HD2  HIS  32           HD2      HIS  32 -10.298   3.690  -0.966
  209    HE1  HIS  32           HE1      HIS  32 -14.120   5.444  -1.335
  210    H    ILE  33           H        ILE  33 -11.925   0.964   3.691
  211    HA   ILE  33           HA       ILE  33 -14.146   1.843   5.166
  212    HB   ILE  33           HB       ILE  33 -13.518  -0.086   6.670
  213   1HG1  ILE  33          1HG1      ILE  33 -11.231  -0.737   4.885
  214   2HG1  ILE  33          2HG1      ILE  33 -10.954   0.547   6.062
  215   1HG2  ILE  33          1HG2      ILE  33 -13.123  -1.619   4.435
  216   2HG2  ILE  33          2HG2      ILE  33 -13.786  -0.143   3.733
  217   3HG2  ILE  33          3HG2      ILE  33 -14.695  -1.020   4.963
  218   1HD1  ILE  33          1HD1      ILE  33 -11.194  -0.869   7.872
  219   2HD1  ILE  33          2HD1      ILE  33 -10.569  -2.021   6.690
  220   3HD1  ILE  33          3HD1      ILE  33 -12.301  -1.944   7.016
  221    H    ASP  34           H        ASP  34 -10.756   2.467   5.718
  222    HA   ASP  34           HA       ASP  34 -11.439   3.819   8.309
  223   1HB   ASP  34          1HB       ASP  34  -9.779   1.733   7.962
  224   2HB   ASP  34          2HB       ASP  34  -8.648   3.036   7.605
  225    H    GLN  35           H        GLN  35 -10.446   4.311   5.080
  226    HA   GLN  35           HA       GLN  35  -9.625   6.207   3.943
  227   1HB   GLN  35          1HB       GLN  35 -10.571   7.520   6.513
  228   2HB   GLN  35          2HB       GLN  35 -10.352   8.321   4.957
  229   1HG   GLN  35          1HG       GLN  35 -12.058   6.795   3.970
  230   2HG   GLN  35          2HG       GLN  35 -12.317   6.093   5.568
  231   1HE2  GLN  35          1HE2      GLN  35 -14.612   7.092   4.824
  232   2HE2  GLN  35          2HE2      GLN  35 -14.913   8.661   5.396
  233    H    THR  36           H        THR  36  -7.414   5.138   4.476
  234    HA   THR  36           HA       THR  36  -5.674   7.207   5.650
  235    HB   THR  36           HB       THR  36  -4.732   5.238   7.168
  236    HG1  THR  36           HG1      THR  36  -5.992   3.582   7.180
  237   1HG2  THR  36          1HG2      THR  36  -7.329   6.422   8.089
  238   2HG2  THR  36          2HG2      THR  36  -5.972   7.490   7.729
  239   3HG2  THR  36          3HG2      THR  36  -5.810   6.246   8.967
  240    H    THR  37           H        THR  37  -3.384   6.742   5.225
  241    HA   THR  37           HA       THR  37  -3.009   4.757   3.007
  242    HB   THR  37           HB       THR  37  -1.245   6.266   2.255
  243    HG1  THR  37           HG1      THR  37  -1.833   7.827   4.544
  244   1HG2  THR  37          1HG2      THR  37  -2.900   8.504   2.713
  245   2HG2  THR  37          2HG2      THR  37  -3.980   7.110   2.660
  246   3HG2  THR  37          3HG2      THR  37  -2.904   7.445   1.302
  247    H    THR  38           H        THR  38  -1.583   3.082   3.383
  248    HA   THR  38           HA       THR  38   0.317   3.345   5.691
  249    HB   THR  38           HB       THR  38  -1.657   2.050   6.346
  250    HG1  THR  38           HG1      THR  38  -0.183   0.936   7.321
  251   1HG2  THR  38          1HG2      THR  38  -1.061   0.599   3.773
  252   2HG2  THR  38          2HG2      THR  38  -2.582   1.317   4.305
  253   3HG2  THR  38          3HG2      THR  38  -1.995  -0.165   5.060
  254    H    TRP  39           H        TRP  39   2.078   1.625   5.534
  255    HA   TRP  39           HA       TRP  39   2.877   1.280   2.667
  256   1HB   TRP  39          1HB       TRP  39   4.589   1.074   5.165
  257   2HB   TRP  39          2HB       TRP  39   5.137   1.317   3.510
  258    HD1  TRP  39           HD1      TRP  39   4.002   3.151   6.558
  259    HE1  TRP  39           HE1      TRP  39   3.970   5.688   6.102
  260    HE3  TRP  39           HE3      TRP  39   4.644   3.142   1.493
  261    HZ2  TRP  39           HZ2      TRP  39   4.186   7.475   3.882
  262    HZ3  TRP  39           HZ3      TRP  39   4.726   5.274   0.235
  263    HH2  TRP  39           HH2      TRP  39   4.495   7.443   1.422
  264    H    GLN  40           H        GLN  40   3.182  -0.423   5.812
  265    HA   GLN  40           HA       GLN  40   3.996  -2.943   4.897
  266   1HB   GLN  40          1HB       GLN  40   2.279  -1.952   7.167
  267   2HB   GLN  40          2HB       GLN  40   2.596  -3.676   6.982
  268   1HG   GLN  40          1HG       GLN  40   5.094  -2.949   6.779
  269   2HG   GLN  40          2HG       GLN  40   4.548  -1.445   7.519
  270   1HE2  GLN  40          1HE2      GLN  40   5.725  -4.513   8.269
  271   2HE2  GLN  40          2HE2      GLN  40   5.166  -4.624   9.867
  272    H    ASP  41           H        ASP  41   2.949  -3.541   2.927
  273    HA   ASP  41           HA       ASP  41   0.201  -3.474   2.326
  274   1HB   ASP  41          1HB       ASP  41   0.812  -5.351   0.781
  275   2HB   ASP  41          2HB       ASP  41   1.972  -4.024   0.735
  276    HA   PRO  42           HA       PRO  42  -1.552  -6.451   5.072
  277   1HB   PRO  42          1HB       PRO  42  -3.756  -7.187   3.625
  278   2HB   PRO  42          2HB       PRO  42  -3.627  -5.630   4.466
  279   1HG   PRO  42          1HG       PRO  42  -3.239  -6.273   1.581
  280   2HG   PRO  42          2HG       PRO  42  -4.011  -4.867   2.328
  281   1HD   PRO  42          1HD       PRO  42  -1.477  -4.840   1.310
  282   2HD   PRO  42          2HD       PRO  42  -2.017  -3.777   2.626
  283    H    ARG  43           H        ARG  43  -1.399  -7.391   1.623
  284    HA   ARG  43           HA       ARG  43  -0.214  -9.991   2.416
  285   1HB   ARG  43          1HB       ARG  43  -1.947 -11.234   1.191
  286   2HB   ARG  43          2HB       ARG  43  -2.689 -10.252   2.454
  287   1HG   ARG  43          1HG       ARG  43  -2.433  -8.731  -0.004
  288   2HG   ARG  43          2HG       ARG  43  -3.318 -10.230  -0.289
  289   1HD   ARG  43          1HD       ARG  43  -3.955  -8.154   1.839
  290   2HD   ARG  43          2HD       ARG  43  -4.909  -8.495   0.383
  291    HE   ARG  43           HE       ARG  43  -4.847 -10.126   2.802
  292   1HH1  ARG  43          1HH1      ARG  43  -5.237 -10.153  -0.658
  293   2HH1  ARG  43          2HH1      ARG  43  -6.169 -11.609  -0.651
  294   1HH2  ARG  43          1HH2      ARG  43  -6.059 -12.014   2.786
  295   2HH2  ARG  43          2HH2      ARG  43  -6.632 -12.656   1.283
  296    H    LYS  44           H        LYS  44   0.331  -7.412   0.728
  297    HA   LYS  44           HA       LYS  44   0.699  -8.543  -1.977
  298   1HB   LYS  44          1HB       LYS  44   0.167  -6.053  -0.907
  299   2HB   LYS  44          2HB       LYS  44   1.881  -5.931  -1.301
  300   1HG   LYS  44          1HG       LYS  44  -0.325  -6.789  -3.201
  301   2HG   LYS  44          2HG       LYS  44   0.509  -5.236  -3.220
  302   1HD   LYS  44          1HD       LYS  44   2.600  -6.274  -3.797
  303   2HD   LYS  44          2HD       LYS  44   1.946  -7.887  -3.507
  304   1HE   LYS  44          1HE       LYS  44   1.778  -7.738  -5.844
  305   2HE   LYS  44          2HE       LYS  44   0.180  -7.139  -5.356
  306   1HZ   LYS  44          1HZ       LYS  44   1.343  -4.885  -5.192
  307   2HZ   LYS  44          2HZ       LYS  44   1.012  -5.473  -6.751
  308   3HZ   LYS  44          3HZ       LYS  44   2.584  -5.583  -6.114
  309    H    GLY   3           H        GLY   3   4.404  13.502   5.938
  310   1HA   GLY   3          1HA       GLY   3   6.035  11.048   6.105
  311   2HA   GLY   3          2HA       GLY   3   4.662  11.447   7.137
  312    HA   PRO   4           HA       PRO   4   2.365   8.625   4.655
  313   1HB   PRO   4          1HB       PRO   4  -0.163   9.373   5.390
  314   2HB   PRO   4          2HB       PRO   4   0.909   8.427   6.440
  315   1HG   PRO   4          1HG       PRO   4   0.282  11.339   6.494
  316   2HG   PRO   4          2HG       PRO   4   0.512  10.212   7.837
  317   1HD   PRO   4          1HD       PRO   4   2.420  11.980   6.994
  318   2HD   PRO   4          2HD       PRO   4   2.791  10.443   7.801
  319    HA   PRO   5           HA       PRO   5   1.402  11.080   1.098
  320   1HB   PRO   5          1HB       PRO   5   0.131   9.178  -0.403
  321   2HB   PRO   5          2HB       PRO   5   1.891   9.222  -0.183
  322   1HG   PRO   5          1HG       PRO   5  -0.153   7.523   1.165
  323   2HG   PRO   5          2HG       PRO   5   1.477   7.106   0.616
  324   1HD   PRO   5          1HD       PRO   5   0.843   7.631   3.221
  325   2HD   PRO   5          2HD       PRO   5   2.455   7.891   2.529
  326    HA   PRO   6           HA       PRO   6  -2.782  12.354   1.688
  327   1HB   PRO   6          1HB       PRO   6  -3.374  13.424  -0.761
  328   2HB   PRO   6          2HB       PRO   6  -2.305  14.218   0.409
  329   1HG   PRO   6          1HG       PRO   6  -1.624  12.622  -2.013
  330   2HG   PRO   6          2HG       PRO   6  -0.858  14.084  -1.373
  331   1HD   PRO   6          1HD       PRO   6   0.156  11.564  -1.048
  332   2HD   PRO   6          2HD       PRO   6   0.464  12.903   0.076
  333    H    TYR   7           H        TYR   7  -5.010  11.833   1.021
  334    HA   TYR   7           HA       TYR   7  -5.190   9.179  -0.291
  335   1HB   TYR   7          1HB       TYR   7  -6.265  10.077   1.951
  336   2HB   TYR   7          2HB       TYR   7  -7.489  10.732   0.863
  337    HD1  TYR   7           HD1      TYR   7  -6.961   8.080   2.929
  338    HD2  TYR   7           HD2      TYR   7  -7.925   8.840  -1.189
  339    HE1  TYR   7           HE1      TYR   7  -8.015   5.842   2.761
  340    HE2  TYR   7           HE2      TYR   7  -8.978   6.602  -1.355
  341    HH   TYR   7           HH       TYR   7  -8.688   4.336  -0.081
  342   1HN   NH2   8          1HN       NH2   8  -4.674  10.379  -2.490
  343   2HN   NH2   8          2HN       NH2   8  -6.002  11.024  -3.327
  344   1H1   OCT   2          1H1       OCT   2   4.699  13.124   3.527
  345   2H1   OCT   2          2H1       OCT   2   6.021  12.006   3.911
  346   1H2   OCT   2          1H2       OCT   2   7.005  14.160   5.138
  347   2H2   OCT   2          2H2       OCT   2   5.988  15.009   3.972
  348   1H3   OCT   2          1H3       OCT   2   7.092  13.851   2.121
  349   2H3   OCT   2          2H3       OCT   2   8.048  12.896   3.257
  350   1H4   OCT   2          1H4       OCT   2   8.122  15.922   3.207
  351   2H4   OCT   2          2H4       OCT   2   9.219  14.932   2.245
  352   1H5   OCT   2          1H5       OCT   2   9.296  13.813   4.821
  353   2H5   OCT   2          2H5       OCT   2   9.320  15.558   5.080
  354   1H6   OCT   2          1H6       OCT   2  11.082  14.362   2.962
  355   2H6   OCT   2          2H6       OCT   2  11.577  14.261   4.653
  356   1H7   OCT   2          1H7       OCT   2  12.534  16.289   3.893
  357   2H7   OCT   2          2H7       OCT   2  11.072  16.800   4.739
  358   1H8   OCT   2          1H8       OCT   2  10.935  16.189   1.802
  359   2H8   OCT   2          2H8       OCT   2  11.596  17.738   2.329
  360   3H8   OCT   2          3H8       OCT   2   9.943  17.291   2.757