*HEADER    ENDOCYTOSIS/EXOCYTOSIS                  30-JUN-00   1F8H              
*TITLE     STRUCTURE OF THE SECOND EPS15 HOMOLOGY DOMAIN OF HUMAN                
*TITLE    2 EPS15 IN COMPLEX WITH PTGSSSTNPFR                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR SUBSTRATE 15;             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 121-218 OF HUMAN EPS15;                           
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: PTGSSSTNPFR;                                               
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PRSETA;                                   
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES;                                                      
*SOURCE  10 OTHER_DETAILS: CHEMICALLY SYNTHESIZED PEPTIDE                        
*KEYWDS    COMPLEX, EH DOMAIN, NPF, CALCIUM BINDING, SIGNALING DOMAIN,           
*KEYWDS   2 EF-HAND                                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    T.DE BEER, A.N.HOOFNAGLE, J.L.ENMON, R.C.BOWERS, M.YAMABHAI,          
*AUTHOR   2 B.K.KAY, M.OVERDUIN                                                  
*REVDAT   1   30-JUN-02 1F8H    0                                                
!! Restraint file for EH2 in complex with the peptide PTGSSSTNPFR
!!
!! Several Xplor restraints files have been concatenated :
!! 1) EH2c_noes_TB_SUM.tbl     - EH2 intramolecular NOE restraint file
!! 2) EH2_NPFR_noes_TB_SUM.tbl - intermolecular NOEs between EH2 and peptide
!! 3) NPFR_noes_TB_SUM.tbl     - peptide - intramolecular NOE restraint file
!! 4) eh2_hbon.tbl        - hydrogen bond file for EH2
!! 5) eh2_dihe.tbl        - dihedral angle file for EH2
!! 6) CAL_restraints.tbl       - calcium-oxygen restraint file to place calcium in structures

!! EH2c_noes_TB_SUM.tbl - Xplor restraint file -  intramolecular NOEs for EH2
assign (resid 7 and name HN )(resid 7 and name HA ) 0.0 0.0 3.5
assign (resid 7 and name HN )(resid 7 and name HB# ) 0.0 0.0 3.1
assign (resid 7 and name HN )(resid 7 and name HD1 ) 0.0 0.0 5
assign (resid 7 and name HN )(resid 7 and name HE3 ) 0.0 0.0 5
assign (resid 7 and name HA )(resid 7 and name HB# ) 0.0 0.0 3.1
assign (resid 7 and name HA )(resid 7 and name HD1 ) 0.0 0.0 2.7
assign (resid 7 and name HB# )(resid 7 and name HD1 ) 0.0 0.0 3.1
assign (resid 7 and name HB# )(resid 7 and name HE1 ) 0.0 0.0 5
assign (resid 7 and name HB# )(resid 7 and name HE3 ) 0.0 0.0 3.1
assign (resid 7 and name HD1 )(resid 7 and name HE1 ) 0.0 0.0 2.7
assign (resid 7 and name HE1 )(resid 7 and name HZ2 ) 0.0 0.0 3.5
assign (resid 8 and name HN )(resid 8 and name HA ) 0.0 0.0 3.5
assign (resid 8 and name HN )(resid 8 and name HB# ) 0.0 0.0 2.7
assign (resid 8 and name HA )(resid 8 and name HB# ) 0.0 0.0 2.7
assign (resid 9 and name HN )(resid 9 and name HA ) 0.0 0.0 3.5
assign (resid 9 and name HN )(resid 9 and name HB ) 0.0 0.0 3.5
assign (resid 9 and name HN )(resid 9 and name HG1# ) 0.0 0.0 5
assign (resid 9 and name HN )(resid 9 and name HG2# ) 0.0 0.0 3.5
assign (resid 9 and name HA )(resid 9 and name HB ) 0.0 0.0 5
assign (resid 9 and name HA )(resid 9 and name HG1# ) 0.0 0.0 2.7
assign (resid 9 and name HA )(resid 9 and name HG2# ) 0.0 0.0 2.7
assign (resid 9 and name HB )(resid 9 and name HG1# ) 0.0 0.0 2.7
assign (resid 9 and name HB )(resid 9 and name HG2# ) 0.0 0.0 2.7
assign (resid 10 and name HN )(resid 10 and name HA ) 0.0 0.0 3.5
assign (resid 10 and name HN )(resid 10 and name HB# ) 0.0 0.0 3.1
assign (resid 10 and name HN )(resid 10 and name HG# ) 0.0 0.0 5
assign (resid 10 and name HA )(resid 10 and name HB# ) 0.0 0.0 3.1
assign (resid 10 and name HA )(resid 10 and name HG# ) 0.0 0.0 4.4
assign (resid 10 and name HA )(resid 10 and name HD# ) 0.0 0.0 4.4
assign (resid 12 and name HN )(resid 12 and name HA ) 0.0 0.0 3.5
assign (resid 12 and name HN )(resid 12 and name HB# ) 0.0 0.0 2.7
assign (resid 12 and name HN )(resid 12 and name HG# ) 0.0 0.0 3.5
assign (resid 12 and name HA )(resid 12 and name HB# ) 0.0 0.0 2.7
assign (resid 12 and name HA )(resid 12 and name HG# ) 0.0 0.0 3.5
assign (resid 12 and name HB# )(resid 12 and name HG# ) 0.0 0.0 2.7
assign (resid 13 and name HN )(resid 13 and name HA ) 0.0 0.0 3.5
assign (resid 13 and name HN )(resid 13 and name HB# ) 0.0 0.0 2.7
assign (resid 13 and name HA )(resid 13 and name HB# ) 0.0 0.0 3.1
assign (resid 14 and name HN )(resid 14 and name HA ) 0.0 0.0 3.5
assign (resid 14 and name HN )(resid 14 and name HB# ) 0.0 0.0 3.1
assign (resid 14 and name HN )(resid 14 and name HG# ) 0.0 0.0 4.4
assign (resid 14 and name HA )(resid 14 and name HB# ) 0.0 0.0 3.1
assign (resid 14 and name HA )(resid 14 and name HG# ) 0.0 0.0 4.4
assign (resid 15 and name HN )(resid 15 and name HA ) 0.0 0.0 3.5
assign (resid 15 and name HN )(resid 15 and name HB# ) 0.0 0.0 2.7
assign (resid 15 and name HA )(resid 15 and name HB# ) 0.0 0.0 2.7
assign (resid 16 and name HN )(resid 16 and name HA ) 0.0 0.0 3.5
assign (resid 16 and name HN )(resid 16 and name HB# ) 0.0 0.0 3.5
assign (resid 16 and name HN )(resid 16 and name HG# ) 0.0 0.0 3.1
assign (resid 16 and name HA )(resid 16 and name HG# ) 0.0 0.0 3.1
assign (resid 17 and name HN )(resid 17 and name HB# ) 0.0 0.0 4.4
assign (resid 17 and name HN )(resid 17 and name HD# ) 0.0 0.0 3.5
assign (resid 17 and name HN )(resid 17 and name HE# ) 0.0 0.0 5
assign (resid 17 and name HA )(resid 17 and name HB# ) 0.0 0.0 3.1
assign (resid 17 and name HA )(resid 17 and name HD# ) 0.0 0.0 2.7
assign (resid 18 and name HN )(resid 18 and name HA ) 0.0 0.0 3.5
assign (resid 18 and name HN )(resid 18 and name HB# ) 0.0 0.0 3.1
assign (resid 19 and name HN )(resid 19 and name HA ) 0.0 0.0 3.5
assign (resid 19 and name HN )(resid 19 and name HB# ) 0.0 0.0 2.7
assign (resid 19 and name HA )(resid 19 and name HB# ) 0.0 0.0 2.7
assign (resid 20 and name HN )(resid 20 and name HA ) 0.0 0.0 3.5
assign (resid 20 and name HN )(resid 20 and name HB ) 0.0 0.0 2.7
assign (resid 20 and name HN )(resid 20 and name HG1# ) 0.0 0.0 3.5
assign (resid 20 and name HN )(resid 20 and name HG2# ) 0.0 0.0 3.5
assign (resid 20 and name HA )(resid 20 and name HB ) 0.0 0.0 3.5
assign (resid 21 and name HN )(resid 21 and name HA ) 0.0 0.0 3.5
assign (resid 21 and name HN )(resid 21 and name HB# ) 0.0 0.0 4.4
assign (resid 21 and name HN )(resid 21 and name HD# ) 0.0 0.0 5
assign (resid 21 and name HA )(resid 21 and name HB# ) 0.0 0.0 2.7
assign (resid 22 and name HN )(resid 22 and name HA ) 0.0 0.0 3.5
assign (resid 22 and name HN )(resid 22 and name HB# ) 0.0 0.0 2.7
assign (resid 22 and name HA )(resid 22 and name HB# ) 0.0 0.0 2.7
assign (resid 23 and name HN )(resid 23 and name HA ) 0.0 0.0 3.5
assign (resid 23 and name HN )(resid 23 and name HB# ) 0.0 0.0 3.5
assign (resid 23 and name HA )(resid 23 and name HB# ) 0.0 0.0 2.7
assign (resid 24 and name HN )(resid 24 and name HA ) 0.0 0.0 3.5
assign (resid 24 and name HN )(resid 24 and name HB# ) 0.0 0.0 3.1
assign (resid 24 and name HN )(resid 24 and name HG ) 0.0 0.0 3.5
assign (resid 24 and name HN )(resid 24 and name HD## ) 0.0 0.0 3.5
assign (resid 24 and name HA )(resid 24 and name HD2# ) 0.0 0.0 2.7
assign (resid 25 and name HN )(resid 25 and name HA ) 0.0 0.0 3.5
assign (resid 25 and name HN )(resid 25 and name HB# ) 0.0 0.0 3.5
assign (resid 25 and name HA )(resid 25 and name HB# ) 0.0 0.0 2.7
assign (resid 26 and name HA )(resid 26 and name HB# ) 0.0 0.0 2.4
assign (resid 26 and name HA )(resid 26 and name HG# ) 0.0 0.0 3.5
assign (resid 26 and name HA )(resid 26 and name HD# ) 0.0 0.0 4.4
assign (resid 27 and name HN )(resid 27 and name HA ) 0.0 0.0 3.5
assign (resid 27 and name HN )(resid 27 and name HB ) 0.0 0.0 2.7
assign (resid 27 and name HN )(resid 27 and name HG## ) 0.0 0.0 3.5
assign (resid 27 and name HA )(resid 27 and name HB ) 0.0 0.0 3.5
assign (resid 27 and name HA )(resid 27 and name HG## ) 0.0 0.0 2.7
assign (resid 28 and name HA )(resid 28 and name HB# ) 0.0 0.0 2.4
assign (resid 29 and name HN )(resid 29 and name HA# ) 0.0 0.0 3.1
assign (resid 30 and name HN )(resid 30 and name HD# ) 0.0 0.0 3.5
assign (resid 30 and name HN )(resid 30 and name HE# ) 0.0 0.0 5
assign (resid 30 and name HN )(resid 30 and name HA ) 0.0 0.0 3.5
assign (resid 30 and name HN )(resid 30 and name HB# ) 0.0 0.0 2.7
assign (resid 30 and name HA )(resid 30 and name HB# ) 0.0 0.0 2.7
assign (resid 30 and name HA )(resid 30 and name HD# ) 0.0 0.0 2.7
assign (resid 30 and name HB# )(resid 30 and name HD# ) 0.0 0.0 2.7
assign (resid 31 and name HN )(resid 31 and name HB# ) 0.0 0.0 3.1
assign (resid 31 and name HN )(resid 31 and name HG ) 0.0 0.0 3.5
assign (resid 31 and name HN )(resid 31 and name HD## ) 0.0 0.0 5
assign (resid 31 and name HA )(resid 31 and name HD2# ) 0.0 0.0 2.7
assign (resid 32 and name HN )(resid 32 and name HA ) 0.0 0.0 3.5
assign (resid 32 and name HN )(resid 32 and name HB# ) 0.0 0.0 3.1
assign (resid 32 and name HA )(resid 32 and name HB# ) 0.0 0.0 2.4
assign (resid 33 and name HN )(resid 33 and name HA# ) 0.0 0.0 2.7
assign (resid 34 and name HN )(resid 34 and name HA ) 0.0 0.0 3.5
assign (resid 34 and name HN )(resid 34 and name HB# ) 0.0 0.0 3.1
assign (resid 34 and name HA )(resid 34 and name HB# ) 0.0 0.0 2.4
assign (resid 35 and name HN )(resid 35 and name HA ) 0.0 0.0 3.5
assign (resid 35 and name HN )(resid 35 and name HB# ) 0.0 0.0 2.4
assign (resid 35 and name HN )(resid 35 and name HG# ) 0.0 0.0 4.4
assign (resid 36 and name HN )(resid 36 and name HA ) 0.0 0.0 3.5
assign (resid 36 and name HN )(resid 36 and name HB ) 0.0 0.0 2.7
assign (resid 36 and name HN )(resid 36 and name HG## ) 0.0 0.0 2.7
assign (resid 36 and name HA )(resid 36 and name HB ) 0.0 0.0 3.5
assign (resid 36 and name HA )(resid 36 and name HG2# ) 0.0 0.0 2.7
assign (resid 36 and name HA )(resid 36 and name HG1# ) 0.0 0.0 2.7
assign (resid 37 and name HN )(resid 37 and name HA ) 0.0 0.0 3.5
assign (resid 37 and name HN )(resid 37 and name HB# ) 0.0 0.0 3.1
assign (resid 37 and name HN )(resid 37 and name HG# ) 0.0 0.0 4.4
assign (resid 39 and name HN )(resid 39 and name HA ) 0.0 0.0 3.5
assign (resid 39 and name HN )(resid 39 and name HB ) 0.0 0.0 2.7
assign (resid 39 and name HN )(resid 39 and name HG2# ) 0.0 0.0 3.5
assign (resid 39 and name HN )(resid 39 and name HG1# ) 0.0 0.0 5
assign (resid 39 and name HA )(resid 39 and name HG2# ) 0.0 0.0 2.7
assign (resid 39 and name HA )(resid 39 and name HG1# ) 0.0 0.0 2.7
assign (resid 40 and name HN )(resid 40 and name HA ) 0.0 0.0 5
assign (resid 40 and name HA )(resid 40 and name HB# ) 0.0 0.0 3.1
assign (resid 40 and name HA )(resid 40 and name HG ) 0.0 0.0 3.5
assign (resid 40 and name HA )(resid 40 and name HD2# ) 0.0 0.0 2.7
assign (resid 40 and name HN )(resid 40 and name HD1# ) 0.0 0.0 5
assign (resid 40 and name HN )(resid 40 and name HD2# ) 0.0 0.0 5
assign (resid 41 and name HN )(resid 41 and name HA ) 0.0 0.0 3.5
assign (resid 41 and name HA )(resid 41 and name HB# ) 0.0 0.0 2.4
assign (resid 41 and name HA )(resid 41 and name HD2# ) 0.0 0.0 2.7
assign (resid 42 and name HN )(resid 42 and name HA ) 0.0 0.0 3.5
assign (resid 42 and name HA )(resid 42 and name HB# ) 0.0 0.0 2.7
assign (resid 42 and name HN )(resid 42 and name HB# ) 0.0 0.0 2.4
assign (resid 42 and name HA )(resid 42 and name HD2# ) 0.0 0.0 4.4
assign (resid 42 and name HB# )(resid 42 and name HD2# ) 0.0 0.0 3.9
assign (resid 43 and name HN )(resid 43 and name HA ) 0.0 0.0 3.5
assign (resid 43 and name HN )(resid 43 and name HB# ) 0.0 0.0 3.5
assign (resid 43 and name HA )(resid 43 and name HB# ) 0.0 0.0 2.4
assign (resid 43 and name HN )(resid 43 and name HG ) 0.0 0.0 3.5
assign (resid 44 and name HN )(resid 44 and name HA ) 0.0 0.0 3.5
assign (resid 44 and name HN )(resid 44 and name HB# ) 0.0 0.0 3.1
assign (resid 45 and name HN )(resid 45 and name HA ) 0.0 0.0 3.5
assign (resid 45 and name HN )(resid 45 and name HB# ) 0.0 0.0 2.7
assign (resid 45 and name HA )(resid 45 and name HD1# ) 0.0 0.0 5
assign (resid 45 and name HA )(resid 45 and name HD2# ) 0.0 0.0 2.7
assign (resid 47 and name HN )(resid 47 and name HA ) 0.0 0.0 3.5
assign (resid 47 and name HN )(resid 47 and name HB ) 0.0 0.0 2.7
assign (resid 47 and name HN )(resid 47 and name HG## ) 0.0 0.0 2.7
assign (resid 47 and name HA )(resid 47 and name HB ) 0.0 0.0 3.5
assign (resid 47 and name HA )(resid 47 and name HG## ) 0.0 0.0 2.7
assign (resid 48 and name HN )(resid 48 and name HA ) 0.0 0.0 3.5
assign (resid 48 and name HN )(resid 48 and name HB# ) 0.0 0.0 2.4
assign (resid 48 and name HA )(resid 48 and name HB# ) 0.0 0.0 2.4
assign (resid 49 and name HN )(resid 49 and name HA ) 0.0 0.0 3.5
assign (resid 49 and name HN )(resid 49 and name HB ) 0.0 0.0 2.7
assign (resid 49 and name HN )(resid 49 and name HG1# ) 0.0 0.0 3.1
assign (resid 49 and name HA )(resid 49 and name HB ) 0.0 0.0 3.5
assign (resid 49 and name HA )(resid 49 and name HG2# ) 0.0 0.0 2.7
assign (resid 49 and name HA )(resid 49 and name HD1# ) 0.0 0.0 2.7
assign (resid 50 and name HN )(resid 50 and name HA ) 0.0 0.0 5
assign (resid 50 and name HN )(resid 50 and name HB# ) 0.0 0.0 3.1
assign (resid 50 and name HN )(resid 50 and name HG ) 0.0 0.0 3.5
assign (resid 51 and name HN )(resid 51 and name HA# ) 0.0 0.0 2.4
assign (resid 52 and name HN )(resid 52 and name HA ) 0.0 0.0 3.5
assign (resid 52 and name HN )(resid 52 and name HB# ) 0.0 0.0 2.7
assign (resid 52 and name HN )(resid 52 and name HG# ) 0.0 0.0 4.4
assign (resid 52 and name HA )(resid 52 and name HB# ) 0.0 0.0 2.7
assign (resid 52 and name HA )(resid 52 and name HG# ) 0.0 0.0 2.7
assign (resid 53 and name HN )(resid 53 and name HA ) 0.0 0.0 3.5
assign (resid 53 and name HN )(resid 53 and name HB ) 0.0 0.0 2.7
assign (resid 53 and name HN )(resid 53 and name HG## ) 0.0 0.0 2.7
assign (resid 53 and name HA )(resid 53 and name HG2# ) 0.0 0.0 2.7
assign (resid 53 and name HA )(resid 53 and name HG1# ) 0.0 0.0 2.7
assign (resid 54 and name HN )(resid 54 and name HA ) 0.0 0.0 3.5
assign (resid 54 and name HN )(resid 54 and name HB# ) 0.0 0.0 2.4
assign (resid 54 and name HN )(resid 54 and name HD1 ) 0.0 0.0 5
assign (resid 54 and name HA )(resid 54 and name HB# ) 0.0 0.0 2.7
assign (resid 54 and name HA )(resid 54 and name HD1 ) 0.0 0.0 5
assign (resid 54 and name HA )(resid 54 and name HE3 ) 0.0 0.0 3.5
assign (resid 54 and name HB# )(resid 54 and name HD1 ) 0.0 0.0 4.4
assign (resid 54 and name HB# )(resid 54 and name HE1 ) 0.0 0.0 4.4
assign (resid 54 and name HB# )(resid 54 and name HE3 ) 0.0 0.0 4.4
assign (resid 55 and name HN )(resid 55 and name HA ) 0.0 0.0 3.5
assign (resid 55 and name HN )(resid 55 and name HB# ) 0.0 0.0 2.7
assign (resid 55 and name HN )(resid 55 and name HG# ) 0.0 0.0 3.5
assign (resid 55 and name HA )(resid 55 and name HB# ) 0.0 0.0 2.4
assign (resid 55 and name HA )(resid 55 and name HG# ) 0.0 0.0 3.1
assign (resid 56 and name HN )(resid 56 and name HA ) 0.0 0.0 3.5
assign (resid 56 and name HN )(resid 56 and name HB# ) 0.0 0.0 3.1
assign (resid 56 and name HN )(resid 56 and name HG ) 0.0 0.0 3.5
assign (resid 56 and name HA )(resid 56 and name HD2# ) 0.0 0.0 2.7
assign (resid 57 and name HN )(resid 57 and name HA ) 0.0 0.0 3.5
assign (resid 57 and name HN )(resid 57 and name HB# ) 0.0 0.0 2.4
assign (resid 57 and name HA )(resid 57 and name HB# ) 0.0 0.0 2.7
assign (resid 58 and name HN )(resid 58 and name HA ) 0.0 0.0 3.5
assign (resid 58 and name HN )(resid 58 and name HB# ) 0.0 0.0 2.4
assign (resid 58 and name HA )(resid 58 and name HB# ) 0.0 0.0 2.7
assign (resid 59 and name HN )(resid 59 and name HA ) 0.0 0.0 3.5
assign (resid 59 and name HN )(resid 59 and name HB ) 0.0 0.0 2.7
assign (resid 59 and name HN )(resid 59 and name HG1# ) 0.0 0.0 3.5
assign (resid 59 and name HA )(resid 59 and name HG2# ) 0.0 0.0 2.7
assign (resid 59 and name HB )(resid 59 and name HG2# ) 0.0 0.0 2.7
assign (resid 60 and name HN )(resid 60 and name HA ) 0.0 0.0 5
assign (resid 60 and name HN )(resid 60 and name HB# ) 0.0 0.0 3.5
assign (resid 61 and name HN )(resid 61 and name HA ) 0.0 0.0 2.7
assign (resid 61 and name HN )(resid 61 and name HB# ) 0.0 0.0 3.5
assign (resid 61 and name HN )(resid 61 and name HD2 ) 0.0 0.0 5
assign (resid 61 and name HA )(resid 61 and name HB# ) 0.0 0.0 2.4
assign (resid 61 and name HA )(resid 61 and name HD2 ) 0.0 0.0 5
assign (resid 61 and name HB# )(resid 61 and name HD2 ) 0.0 0.0 4.4
assign (resid 62 and name HN )(resid 62 and name HA ) 0.0 0.0 3.5
assign (resid 62 and name HN )(resid 62 and name HB# ) 0.0 0.0 3.5
assign (resid 62 and name HA )(resid 62 and name HB# ) 0.0 0.0 2.4
assign (resid 63 and name HN )(resid 63 and name HA# ) 0.0 0.0 3.1
assign (resid 64 and name HN )(resid 64 and name HA ) 0.0 0.0 3.5
assign (resid 64 and name HN )(resid 64 and name HB# ) 0.0 0.0 3.1
assign (resid 64 and name HN )(resid 64 and name HG# ) 0.0 0.0 3.5
assign (resid 64 and name HA )(resid 64 and name HB# ) 0.0 0.0 2.7
assign (resid 64 and name HA )(resid 64 and name HG# ) 0.0 0.0 3.5
assign (resid 65 and name HN )(resid 65 and name HA ) 0.0 0.0 3.5
assign (resid 65 and name HN )(resid 65 and name HB# ) 0.0 0.0 5
assign (resid 65 and name HA )(resid 65 and name HB# ) 0.0 0.0 4.4
assign (resid 65 and name HA )(resid 65 and name HG ) 0.0 0.0 5
assign (resid 65 and name HA )(resid 65 and name HD1# ) 0.0 0.0 5
assign (resid 65 and name HA )(resid 65 and name HD2# ) 0.0 0.0 2.7
assign (resid 66 and name HN )(resid 66 and name HA ) 0.0 0.0 3.5
assign (resid 66 and name HN )(resid 66 and name HB# ) 0.0 0.0 4.4
assign (resid 66 and name HA )(resid 66 and name HB# ) 0.0 0.0 2.4
assign (resid 67 and name HN )(resid 67 and name HA ) 0.0 0.0 3.5
assign (resid 67 and name HN )(resid 67 and name HB# ) 0.0 0.0 3.5
assign (resid 68 and name HN )(resid 68 and name HA ) 0.0 0.0 3.5
assign (resid 68 and name HN )(resid 68 and name HB# ) 0.0 0.0 3.1
assign (resid 69 and name HN )(resid 69 and name HA ) 0.0 0.0 3.5
assign (resid 69 and name HN )(resid 69 and name HB# ) 0.0 0.0 3.1
assign (resid 70 and name HN )(resid 70 and name HA ) 0.0 0.0 3.5
assign (resid 70 and name HN )(resid 70 and name HB# ) 0.0 0.0 3.5
assign (resid 70 and name HD# )(resid 70 and name HA ) 0.0 0.0 3.5
assign (resid 70 and name HD# )(resid 70 and name HB# ) 0.0 0.0 3.5
assign (resid 71 and name HN )(resid 71 and name HA ) 0.0 0.0 3.5
assign (resid 71 and name HN )(resid 71 and name HB# ) 0.0 0.0 2.7
assign (resid 72 and name HN )(resid 72 and name HA ) 0.0 0.0 3.5
assign (resid 72 and name HN )(resid 72 and name HB ) 0.0 0.0 3.5
assign (resid 72 and name HN )(resid 72 and name HG2# ) 0.0 0.0 3.5
assign (resid 72 and name HN )(resid 72 and name HG1# ) 0.0 0.0 5
assign (resid 72 and name HA )(resid 72 and name HG2# ) 0.0 0.0 2.7
assign (resid 72 and name HA )(resid 72 and name HG1# ) 0.0 0.0 2.7
assign (resid 73 and name HN )(resid 73 and name HA ) 0.0 0.0 3.5
assign (resid 73 and name HN )(resid 73 and name HB# ) 0.0 0.0 2.7
assign (resid 74 and name HN )(resid 74 and name HA ) 0.0 0.0 3.5
assign (resid 74 and name HN )(resid 74 and name HB# ) 0.0 0.0 3.5
assign (resid 74 and name HN )(resid 74 and name HG# ) 0.0 0.0 3.1
assign (resid 75 and name HN )(resid 75 and name HA ) 0.0 0.0 3.5
assign (resid 75 and name HN )(resid 75 and name HB# ) 0.0 0.0 3.1
assign (resid 76 and name HN )(resid 76 and name HA ) 0.0 0.0 3.5
assign (resid 76 and name HN )(resid 76 and name HB# ) 0.0 0.0 3.1
assign (resid 76 and name HA )(resid 76 and name HD1# ) 0.0 0.0 5
assign (resid 76 and name HA )(resid 76 and name HD2# ) 0.0 0.0 2.7
assign (resid 77 and name HN )(resid 77 and name HA ) 0.0 0.0 3.5
assign (resid 77 and name HN )(resid 77 and name HB ) 0.0 0.0 3.5
assign (resid 77 and name HN )(resid 77 and name HG2# ) 0.0 0.0 3.5
assign (resid 77 and name HA )(resid 77 and name HG2# ) 0.0 0.0 2.7
assign (resid 77 and name HA )(resid 77 and name HG1# ) 0.0 0.0 2.7
assign (resid 78 and name HN )(resid 78 and name HA ) 0.0 0.0 3.5
assign (resid 78 and name HN )(resid 78 and name HB# ) 0.0 0.0 3.5
assign (resid 78 and name HA )(resid 78 and name HD# ) 0.0 0.0 3.5
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assign (resid 80 and name HB# )(resid 85 and name HA ) 0.0 0.0 5
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!!
!!
!!
!!
!! EH2_NPFR_noes_TB_SUM.tbl
!! Xplor restraint file -intermolecular NOEs between EH2 and TNPFR
!!
assign (resid 33 and name HN )(resid 110 and name HG# ) 0.0 0.0 5
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assign (resid 51 and name HN )(resid 109 and name HD2# ) 0.0 0.0 5
assign (resid 51 and name HN )(resid 111 and name HB# ) 0.0 0.0 3.1
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assign (resid 52 and name HN )(resid 109 and name HD2# ) 0.0 0.0 5
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assign (resid 54 and name HN )(resid 109 and name HD2# ) 0.0 0.0 5
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assign (resid 54 and name HD1 )(resid 109 and name HA ) 0.0 0.0 3.5
assign (resid 54 and name HD1 )(resid 109 and name HB# ) 0.0 0.0 3.5
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assign (resid 40 and name HB# )(resid 111 and name HD# ) 0.0 0.0 3.1
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assign (resid 40 and name HG )(resid 111 and name HE# ) 0.0 0.0 5
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assign (resid 41 and name HA )(resid 111 and name HD# ) 0.0 0.0 5
assign (resid 41 and name HG )(resid 111 and name HD# ) 0.0 0.0 5
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assign (resid 41 and name HD2# )(resid 111 and name HE# ) 0.0 0.0 5
assign (resid 47 and name HA )(resid 111 and name HD# ) 0.0 0.0 5
assign (resid 47 and name HB )(resid 111 and name HA ) 0.0 0.0 5
assign (resid 47 and name HB )(resid 111 and name HB# ) 0.0 0.0 5
assign (resid 47 and name HG## )(resid 111 and name HA ) 0.0 0.0 5
assign (resid 47 and name HG## )(resid 111 and name HB# ) 0.0 0.0 2.7
assign (resid 47 and name HG## )(resid 111 and name HD# ) 0.0 0.0 5
assign (resid 47 and name HG## )(resid 112 and name HN ) 0.0 0.0 5
assign (resid 50 and name HB# )(resid 111 and name HD# ) 0.0 0.0 4.4
assign (resid 50 and name HB# )(resid 111 and name HE# ) 0.0 0.0 4.4
assign (resid 50 and name HD## )(resid 111 and name HD# ) 0.0 0.0 3.5
assign (resid 50 and name HD## )(resid 111 and name HE# ) 0.0 0.0 3.5
assign (resid 51 and name HA# )(resid 111 and name HN ) 0.0 0.0 5
assign (resid 51 and name HA# )(resid 111 and name HB# ) 0.0 0.0 4.4
assign (resid 51 and name HA# )(resid 111 and name HD# ) 0.0 0.0 4.4
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assign (resid 54 and name HB# )(resid 111 and name HD# ) 0.0 0.0 5
!!
!!
!!
!! NPFR_noes_TB_SUM.tbl
!! intramolecular retsraint file for TNPFR
!!
assign (resid 108 and name HN )(resid 108 and name HA ) 0.0 0.0 3.5
assign (resid 108 and name HN )(resid 108 and name HB ) 0.0 0.0 5
assign (resid 108 and name HN )(resid 108 and name HG2# ) 0.0 0.0 5
assign (resid 109 and name HA )(resid 109 and name HB# ) 0.0 0.0 2.7
assign (resid 109 and name HN )(resid 109 and name HB# ) 0.0 0.0 3.1
assign (resid 109 and name HD2# )(resid 109 and name HB# ) 0.0 0.0 3.5
assign (resid 111 and name HN )(resid 111 and name HA ) 0.0 0.0 3.5
assign (resid 111 and name HN )(resid 111 and name HB# ) 0.0 0.0 2.7
assign (resid 111 and name HN )(resid 111 and name HD# ) 0.0 0.0 3.5
assign (resid 111 and name HA )(resid 111 and name HB# ) 0.0 0.0 2.7
assign (resid 111 and name HA )(resid 111 and name HD# ) 0.0 0.0 3.5
assign (resid 111 and name HB# )(resid 111 and name HD# ) 0.0 0.0 2.4
assign (resid 111 and name HA )(resid 111 and name HE# ) 0.0 0.0 5
assign (resid 111 and name HB# )(resid 111 and name HE# ) 0.0 0.0 4.4
assign (resid 108 and name HA )(resid 109 and name HN ) 0.0 0.0 5
assign (resid 108 and name HG2# )(resid 109 and name HN ) 0.0 0.0 5
assign (resid 109 and name HA )(resid 110 and name HD# ) 0.0 0.0 2.7
assign (resid 109 and name HA )(resid 111 and name HN ) 0.0 0.0 5
assign (resid 109 and name HB# )(resid 111 and name HN ) 0.0 0.0 4.4
assign (resid 109 and name HD2# )(resid 111 and name HN ) 0.0 0.0 4.4
assign (resid 109 and name HD2# )(resid 111 and name HB# ) 0.0 0.0 5
assign (resid 109 and name HB# )(resid 112 and name HN ) 0.0 0.0 5
assign (resid 109 and name HB# )(resid 112 and name HB# ) 0.0 0.0 3.5
assign (resid 109 and name HB# )(resid 112 and name HG# ) 0.0 0.0 5
assign (resid 109 and name HB# )(resid 112 and name HD# ) 0.0 0.0 5
assign (resid 109 and name HD2# )(resid 112 and name HN ) 0.0 0.0 5
assign (resid 110 and name HD# )(resid 111 and name HN ) 0.0 0.0 3.5
assign (resid 110 and name HD# )(resid 111 and name HD# ) 0.0 0.0 5
assign (resid 110 and name HD# )(resid 111 and name HE# ) 0.0 0.0 5
assign (resid 110 and name HA )(resid 111 and name HN ) 0.0 0.0 3.5
assign (resid 110 and name HG# )(resid 111 and name HN ) 0.0 0.0 4.4
assign (resid 111 and name HN )(resid 112 and name HN ) 0.0 0.0 2.7
assign (resid 111 and name HA )(resid 112 and name HN ) 0.0 0.0 3.5
assign (resid 111 and name HN )(resid 112 and name HA ) 0.0 0.0 5
assign (resid 111 and name HN )(resid 112 and name HB# ) 0.0 0.0 4.4
!!
!!
!!
!!
!! eh2_dihe.tbl
!! EH2 DIHEDRAL ANGLE RESTRAINTS FOR XPLOR INPUT
!!
!! INCLUDES PHI (CSI & Jhnha), PSI (CSI) 
!!
!! Phi restraints: minimum deviation = 30 degrees -- covered by J-coupling
!! Psi restraints: deviation is set to 60
!!
!! CSI and J-coupling are used together :
!! (accurate determination of small J's is not easy :
!!             Kay and Bax J. Magn. Reson. 86 110-126)
!!
!! examples:
!!
!! phi - sheet
!! assign (resid  i-1 and name c) (resid i and name n)
!!        (resid  i and name ca)  (resid  i and name c) 1 -120.0   30.0  2
!!
!! psi - sheet
!! assign (resid  i and name n)   (resid  i and name ca)
!!        (resid  i and name c)   (resid  i+1 and name n) 1 130.0   60.0  2
!!
!! phi - helix 
!! assign (resid  i-1 and name c) (resid i and name n)
!!        (resid  i and name ca)  (resid  i and name c) 1 -60.0   30.0  2
!!
!! psi - helix
!! assign (resid  i and name n)   (resid  i and name ca)
!!        (resid  i and name c)   (resid  i+1 and name n) 1 -40.0   60.0  2
!!
!! phi - coil and J < 6 Hz
!! assign (resid  i-1 and name c) (resid i and name n)
!!        (resid  i and name ca)  (resid  i and name c) 1 60  120.0  2
!!
!! 
!!  CSI Consensus 
!!  -------------
!!  C   1 -  11  
!!  H  12 -  23  
!!  C  24 -  29  
!!  B  30 -  32  
!!  C  33 -  36  
!!  H  37 -  44  
!!  C  45 -  46  
!!  H  47 -  57  
!!  C  58 -  63  
!!  B  64 -  66  
!!  H  67 -  82  
!!  C  83 - 106  
!!
!! Angle-constraint per residue
!! D1
!! R2
!! W3
!! G4
!! S5
!! P6
!! W7 --- no info from HMQC-J, too weak
!! A8      ---     no info from HMQC-J, too weak
!! V9      ---     no info from HMQC-J, too weak
!!
!! K10 --- J-coupling intermediate - 
!!
!! P11
!!
!! E12
!! Warning, on the edge of a secondary structure element
!! Jhn-ha = small to intermediate -- CSI = 'H'
!!
assign (resid   11 and name c )   (resid   12 and name n ) 
 (resid   12 and name ca)   (resid   12 and name c )  1.0 -60.0 30.0 2
assign (resid   12 and name n )   (resid   12 and name ca) 
 (resid   12 and name c )   (resid   13 and name n )  1.0 -40.0 60.0 2
!!
!! D13
!! Warning, CSI helix conflicts with HMQC-J
!! Jhn-ha = 0.19 ppm (9.6 Hz corr is about 0.5 => 100) - large 
!!  define angle  around  -120 increase boundaries 
!! left psi out
!! 
assign (resid   12 and name c )   (resid   13 and name n ) 
       (resid   13 and name ca)   (resid   13 and name c )  1.0 -120.0 50.0 2
!! assign (resid   13 and name n )   (resid   13 and name ca) 
!!      (resid   13 and name c )   (resid   l4 and name n )  1.0 130.0 60.0 2
!!
!! K14
!! Jhn-ha = small, -- CSI = 'H'
assign (resid   13 and name c )   (resid   14 and name n ) 
       (resid   14 and name ca)   (resid   14 and name c )  1.0 -60.0 30.0 2
assign (resid   14 and name n )   (resid   14 and name ca) 
       (resid   14 and name c )   (resid   15 and name n )  1.0 -40.0 60.0 2
!!
!! A15
!! Jhn-ha = small  -- CSI = 'H'
assign (resid   14 and name c )   (resid   15 and name n ) 
 (resid   15 and name ca)   (resid   15 and name c )  1.0 -60.0 30.0 2
assign (resid   15 and name n )   (resid   15 and name ca) 
 (resid   15 and name c )   (resid   16 and name n )  1.0 -40.0 60.0 2
!!
!! K16
!! Jhn-ha = 0.11p (5.6 Hz) -- intermediate  -- CSI = 'H'  -- LOOSER
assign (resid   15 and name c )   (resid   16 and name n ) 
 (resid   16 and name ca)   (resid   16 and name c )  1.0 -60.0 30.0 2
assign (resid   16 and name n )   (resid   16 and name ca) 
 (resid   16 and name c )   (resid   17 and name n )  1.0 -40.0 60.0 2
!!
!! Y17
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   16 and name c )   (resid   17 and name n ) 
       (resid   17 and name ca)   (resid   17 and name c )  1.0 -60.0 30.0 2
assign (resid   17 and name n )   (resid   17 and name ca) 
       (resid   17 and name c )   (resid   18 and name n )  1.0 -40.0 60.0 2
!!
!! D18
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   17 and name c )   (resid   18 and name n ) 
       (resid   18 and name ca)   (resid   18 and name c )  1.0 -60.0 30.0 2
assign (resid   18 and name n )   (resid   18 and name ca) 
       (resid   18 and name c )   (resid   19 and name n )  1.0 -40.0 60.0 2
!!
!! A19
!! Jhn-ha = intermediate -- CSI = 'H' -- LOOSER
assign (resid   18 and name c )   (resid   19 and name n ) 
 (resid   19 and name ca)   (resid   19 and name c )  1.0 -60.0 40.0 2
assign (resid   19 and name n )   (resid   19 and name ca) 
 (resid   19 and name c )   (resid   20 and name n )  1.0 -40.0 60.0 2
!!
!! I20
!! Jhn-ha = 0.11p (5.6 Hz) -- intermediate  -- CSI = 'H'  --LOOSER
assign (resid   19 and name c )   (resid   20 and name n ) 
 (resid   20 and name ca)   (resid   20 and name c )  1.0 -60.0 40.0 2
assign (resid   20 and name n )   (resid   20 and name ca) 
 (resid   20 and name c )   (resid   21 and name n )  1.0 -40.0 60.0 2
!!
!! F21
! Jhn-ha = small  -- CSI = 'H'  
assign (resid   20 and name c )   (resid   21 and name n ) 
       (resid   21 and name ca)   (resid   21 and name c )  1.0 -60.0 30.0 2
assign (resid   21 and name n )   (resid   21 and name ca) 
       (resid   21 and name c )   (resid   22 and name n )  1.0 -40.0 60.0 2
!!
!! D22
!! Jhn-ha = small
assign (resid   21 and name c )   (resid   22 and name n ) 
       (resid   22 and name ca)   (resid   22 and name c )  1.0 -60.0 30.0 2
assign (resid   22 and name n )   (resid   22 and name ca) 
       (resid   22 and name c )   (resid   23 and name n )  1.0 -40.0 60.0 2
!!
!! S23
!! Jhn-ha = 0.09p (4.6 Hz) -- CSI = 'H'  -- LOOSER
assign (resid   22 and name c )   (resid   23 and name n ) 
 (resid   23 and name ca)   (resid   23 and name c )  1.0 -60.0 40.0 2
assign (resid   23 and name n )   (resid   23 and name ca) 
 (resid   23 and name c )   (resid   24 and name n )  1.0 -40.0 60.0 2
!!
!! L24
!! Jhn-ha = 0.16p (8 Hz) -- intermediate
!!
!! S25
!! Jhn-ha = 0.15p (7.6 Hz) intermediate
!!
!! P26
!!
!! V27
!! Jhn-ha = 0.2p (10 Hz)
assign (resid   26 and name c )   (resid   27 and name n ) 
       (resid   27 and name ca)   (resid   27 and name c )  1.0 -120.0 40.0 2
!! assign (resid   27 and name n )   (resid   27 and name ca)
!!       (resid   27 and name c )   (resid   28 and name n )  1.0 130.0 60.0 2
!!
!! N28
!! No info from HMQC-J
!!
!! G29
!!
!! F30
!! Jhn-ha = 0.21 (10.6 Hz)
!! CSI beta-sheet
assign (resid   29 and name c )   (resid   30 and name n ) 
       (resid   30 and name ca)   (resid   30 and name c )  1.0 -120.0 30.0 2
assign (resid   30 and name n )   (resid   30 and name ca) 
       (resid   30 and name c )   (resid   31 and name n )  1.0 130.0 30.0 2
!!
!! L31
!! Jhn-ha = 0.19p (9.6 Hz) 
!! CSI beta-sheet
assign (resid   30 and name c )   (resid   31 and name n ) 
       (resid   31 and name ca)   (resid   31 and name c )  1.0 -120.0 50.0 2
assign (resid   31 and name n )   (resid   31 and name ca) 
       (resid   31 and name c )   (resid   32 and name n )  1.0 130.0 30.0 2
!!
!! S32
!! Jhn-ha = intermediate 
!! assign (resid   31 and name c )   (resid   32 and name n ) 
!!       (resid   32 and name ca)   (resid   32 and name c )  1.0 -120.0 30.0 2
!! assign (resid   32 and name n )   (resid   32 and name ca) 
!!       (resid   32 and name c )   (resid   33 and name n )  1.0 130.0 30.0 2
!!
!! G33
!!
!! D34
!! Jhn-ha = intermediate 
!!
!! K35
!! Jhn-ha=0.19p (9.6 Hz)
assign (resid   34 and name c )   (resid   35 and name n ) 
       (resid   35 and name ca)   (resid   35 and name c )  1.0 -120.0 40.0 2
!!
!! V36
!!      Jhn-ha=0.16p (8.1 Hz) -- intermediate
assign (resid   35 and name c )   (resid   36 and name n ) 
       (resid   36 and name ca)   (resid   36 and name c )  1.0 -120.0 60.0 2
!!
!! K37
!! Jhn-ha = small -- CSI= 'H'
!!  - Warning, next to a PRO -residue
assign (resid   36 and name c )   (resid   37 and name n ) 
 (resid   37 and name ca)   (resid   37 and name c )  1.0 -60.0 30.0 2
assign (resid   37 and name n )   (resid   37 and name ca) 
 (resid   37 and name c )   (resid   38 and name n )  1.0 -40.0 60.0 2
!!
!! P38
!!
!! V39
!! Jhn-ha = 0.16p (8.1 Hz) -- intermediate
assign (resid   38 and name c )   (resid   39 and name n ) 
 (resid   39 and name ca)   (resid   39 and name c )  1.0 -120.0 60.0 2
!!
!! L40
!! Jhn-ha = intermediate CSI='H' --- LOOSER
assign (resid   39 and name c )   (resid   40 and name n ) 
 (resid   40 and name ca)   (resid   40 and name c )  1.0 -60.0 40.0 2
assign (resid   40 and name n )   (resid   40 and name ca) 
 (resid   40 and name c )   (resid   41 and name n )  1.0 -40.0 60.0 2
!!
!! L41
!!      Jhn-ha = small + CSI helix
assign (resid   40 and name c )   (resid   41 and name n ) 
       (resid   41 and name ca)   (resid   41 and name c )  1.0 -60.0 30.0 2
assign (resid   41 and name n )   (resid   41 and name ca) 
       (resid   41 and name c )   (resid   42 and name n )  1.0 -40.0 60.0 2
!!
!! N42
!! Jhn-ha = small + CSI helix
!! Partial overlap with A15
assign (resid   41 and name c )   (resid   42 and name n ) 
       (resid   42 and name ca)   (resid   42 and name c )  1.0 -60.0 30.0 2
assign (resid   42 and name n )   (resid   42 and name ca) 
       (resid   42 and name c )   (resid   43 and name n )  1.0 -40.0 60.0 2
!!
!! S43
!! Jhn-ha = intermediate + CSI-helix -- LOOSER boundaries
assign (resid   42 and name c )   (resid   43 and name n ) 
 (resid   43 and name ca)   (resid   43 and name c )  1.0 -60.0 30.0 2
assign (resid   43 and name n )   (resid   43 and name ca) 
 (resid   43 and name c )   (resid   44 and name n )  1.0 -40.0 60.0 2
!!
!! K44
!!      Jhn-ha = ?  + CSI-helix + Overlap with T102
!!
!! L45 -- coil
!! Jhn-ha = small to intermediate
assign  (resid   44 and name c )   (resid   45 and name n )
 (resid   45 and name ca)   (resid   45 and name c )  1.0 -60.0 40.0 2
!! assign  (resid   45 and name n )   (resid   45 and name ca)
!! (resid   45 and name c )   (resid   46 and name n )  1.0 -40.0 60.0 2
!!
!! P46
!!
!! V47
!! Jhn-ha = small -- CSI-helix
assign (resid   46 and name c )   (resid   47 and name n ) 
       (resid   47 and name ca)   (resid   47 and name c )  1.0 -60.0 30.0 2
assign (resid   47 and name n )   (resid   47 and name ca) 
       (resid   47 and name c )   (resid   48 and name n )  1.0 -40.0 60.0 2
!!
!! D48
!!      Jhn-ha = small -- CSI-helix
assign (resid   47 and name c )   (resid   48 and name n ) 
       (resid   48 and name ca)   (resid   48 and name c )  1.0 -60.0 30.0 2
assign (resid   48 and name n )   (resid   48 and name ca) 
       (resid   48 and name c )   (resid   49 and name n )  1.0 -40.0 60.0 2
!!
!! I49 -- CSI-helix
!!      Jhn-ha = 0.14p (7.0 Hz) -- intermediate
!! assign (resid   48 and name c )   (resid   49 and name n )
!!       (resid   49 and name ca)   (resid   49 and name c )  1.0 -120.0 60.0 2
! assign (resid   49 and name n )   (resid   49 and name ca) 
!       (resid   49 and name c )   (resid   50 and name n )  1.0 -40.0 60.0 2
!!
!! L50 -- CSI-helix
!! Jhn-ha - small
assign (resid   49 and name c )   (resid   50 and name n ) 
       (resid   50 and name ca)   (resid   50 and name c )  1.0 -60.0 30.0 2
assign (resid   50 and name n )   (resid   50 and name ca) 
       (resid   50 and name c )   (resid   51 and name n )  1.0 -40.0 60.0 2
!!
!! G51
!!
!! R52
!! Jhn-ha = 0.1p (5.0 Hz) -- CSI-helix -- LOOSER
assign (resid   51 and name c )   (resid   52 and name n ) 
 (resid   52 and name ca)   (resid   52 and name c )  1.0 -60.0 40.0 2
assign (resid   52 and name n )   (resid   52 and name ca) 
 (resid   52 and name c )   (resid   53 and name n )  1.0 -40.0 60.0 2
!!
!! V53
!! Jhn-ha = small -- CSI-helix 
assign (resid   52 and name c )   (resid   53 and name n ) 
       (resid   53 and name ca)   (resid   53 and name c )  1.0 -60.0 30.0 2
assign (resid   53 and name n )   (resid   53 and name ca) 
       (resid   53 and name c )   (resid   54 and name n )  1.0 -40.0 60.0 2
!!
!! W54
!! Jhn-ha = small  -- CSI-helix
assign (resid   53 and name c )   (resid   54 and name n ) 
       (resid   54 and name ca)   (resid   54 and name c )  1.0 -60.0 30.0 2
assign (resid   54 and name n )   (resid   54 and name ca) 
       (resid   54 and name c )   (resid   55 and name n )  1.0 -40.0 60.0 2
!!
!! E55
!! Jhn-ha = small   -- CSI-helix
assign (resid   54 and name c )   (resid   55 and name n ) 
       (resid   55 and name ca)   (resid   55 and name c )  1.0 -60.0 30.0 2
assign (resid   55 and name n )   (resid   55 and name ca) 
       (resid   55 and name c )   (resid   56 and name n )  1.0 -40.0 60.0 2
!!
!! L56
!! Jhn-ha = 0.06p (3.0 Hz) -- CSI-helix
assign  (resid   55 and name c )   (resid   56 and name n ) 
 (resid   56 and name ca)   (resid   56 and name c )  1.0 -60.0 30.0 2
assign (resid   56 and name n )   (resid   56 and name ca) 
 (resid   56 and name c )   (resid   57 and name n )  1.0 -40.0 60.0 2
!!
!! S57
!! Jhn-ha = 5.6 Hz -- intermediate -- CSI-helix -- LOOSER
assign (resid   56 and name c )   (resid   57 and name n ) 
       (resid   57 and name ca)   (resid   57 and name c )  1.0 -70.0 30.0 2
assign (resid   57 and name n )   (resid   57 and name ca) 
       (resid   57 and name c )   (resid   58 and name n )  1.0 -40.0 60.0 2
!!
!! D58
!!      Jhn-ha = 0.17p (8.6 Hz)
assign  (resid   57 and name c )   (resid   58 and name n ) 
 (resid   58 and name ca)   (resid   58 and name c )  1.0 -120.0 60.0 2
!!
!! I59
!! Jhn-ha = small CSI = 'C' -- can we keep this ?
!! assign  (resid   58 and name c )   (resid   59 and name n ) 
!! (resid   59 and name ca)   (resid   59 and name c )  1.0 -60.0 30.0 2
!! assign (resid   59 and name n )   (resid   59 and name ca)
!! (resid   59 and name c )   (resid   60 and name n )  1.0 -40.0 60.0 2
!!
!! D60
!! Jhn-ha = 0.21p (10.6 Hz)
assign (resid   59 and name c )   (resid   60 and name n ) 
       (resid   60 and name ca)   (resid   60 and name c )  1.0 -120.0 30.0 2
!!
!! H61 (NOTE : psi,phi = 58,36 in classic EF-hands ! +60 ~ 7 Hz
!! Jhn-ha = 0.14p (7.1 Hz) intermediate
!!
!! D62
!! Jhn-ha = 0.18p (9.1 Hz)
assign (resid   61 and name c )   (resid   62 and name n ) 
       (resid   62 and name ca)   (resid   62 and name c )  1.0 -120.0 50.0 2
!!
!! G63
!!
!! M64
!! Jhn-ha = 0.20p (10.1 Hz)
!! CSI - beta-sheet
assign (resid   63 and name c )   (resid   64 and name n ) 
       (resid   64 and name ca)   (resid   64 and name c )  1.0 -120.0 30.0 2
assign (resid   64 and name n )   (resid   64 and name ca) 
       (resid   64 and name c )   (resid   65 and name n )  1.0 130.0 30.0 2
!!
!! L65
!! Jhn-ha = 0.22p (11.1 Hz)
!! CSI - beta-sheet
assign (resid   64 and name c )   (resid   65 and name n ) 
       (resid   65 and name ca)   (resid   65 and name c )  1.0 -120.0 30.0 2
assign (resid   65 and name n )   (resid   65 and name ca) 
       (resid   65 and name c )   (resid   66 and name n )  1.0 130.0 30.0 2
!!
!! D66
!! Jhn-ha = 'unclear' appears 0.16-0.22p (8-11 Hz)
!!      CSI - beta-sheet
assign (resid   65 and name c )   (resid   66 and name n ) 
       (resid   66 and name ca)   (resid   66 and name c )  1.0 -120.0 50.0 2
assign (resid   66 and name n )   (resid   66 and name ca) 
       (resid   66 and name c )   (resid   67 and name n )  1.0 130.0 50.0 2
!!
!! R67
!! Jhn-ha = small -- CSI = 'H'
!! Warning, on the edge of a secondary structure element
assign (resid   66 and name c )   (resid   67 and name n ) 
       (resid   67 and name ca)   (resid   67 and name c )  1.0 -60.0 30.0 2
assign (resid   67 and name n )   (resid   67 and name ca) 
       (resid   67 and name c )   (resid   68 and name n )  1.0 -40.0 60.0 2
!!
!! D68
!! Jhn-ha = 0.1p (5.1 Hz) -- CSI = 'H' -- LOOSER
assign (resid   67 and name c )   (resid   68 and name n ) 
       (resid   68 and name ca)   (resid   68 and name c )  1.0 -60.0 30.0 2
assign (resid   68 and name n )   (resid   68 and name ca) 
       (resid   68 and name c )   (resid   69 and name n )  1.0 -40.0 60.0 2
!!
!! E69
!! Jhn-ha = small -- CSI = 'H'
assign (resid   68 and name c )   (resid   69 and name n ) 
       (resid   69 and name ca)   (resid   69 and name c )  1.0 -60.0 30.0 2
assign (resid   69 and name n )   (resid   69 and name ca) 
       (resid   69 and name c )   (resid   70 and name n )  1.0 -40.0 60.0 2
!!
!! F70
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   69 and name c )   (resid   70 and name n ) 
       (resid   70 and name ca)   (resid   70 and name c )  1.0 -60.0 30.0 2
assign (resid   70 and name n )   (resid   70 and name ca) 
       (resid   70 and name c )   (resid   71 and name n )  1.0 -40.0 60.0 2
!!
!! A71
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   70 and name c )   (resid   71 and name n ) 
       (resid   71 and name ca)   (resid   71 and name c )  1.0 -60.0 30.0 2
assign (resid   71 and name n )   (resid   71 and name ca) 
       (resid   71 and name c )   (resid   72 and name n )  1.0 -40.0 60.0 2
!!
!! V72
!!      Jhn-ha = intermediate -- CSI = 'H'
assign (resid   71 and name c )   (resid   72 and name n ) 
       (resid   72 and name ca)   (resid   72 and name c )  1.0 -60.0 30.0 2
assign (resid   72 and name n )   (resid   72 and name ca) 
       (resid   72 and name c )   (resid   73 and name n )  1.0 -40.0 60.0 2
!!
!! A73
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   72 and name c )   (resid   73 and name n ) 
       (resid   73 and name ca)   (resid   73 and name c )  1.0 -60.0 30.0 2
assign (resid   73 and name n )   (resid   73 and name ca) 
       (resid   73 and name c )   (resid   74 and name n )  1.0 -40.0 60.0 2
!!
!! M74
!! Jhn-ha = small -- CSI = 'H'
assign (resid   73 and name c )   (resid   74 and name n ) 
       (resid   74 and name ca)   (resid   74 and name c )  1.0 -60.0 30.0 2
assign (resid   74 and name n )   (resid   74 and name ca) 
       (resid   74 and name c )   (resid   75 and name n )  1.0 -40.0 60.0 2
!!
!! F75
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   74 and name c )   (resid   75 and name n ) 
       (resid   75 and name ca)   (resid   75 and name c )  1.0 -60.0 30.0 2
assign (resid   75 and name n )   (resid   75 and name ca) 
       (resid   75 and name c )   (resid   76 and name n )  1.0 -40.0 60.0 2
!!
!! L76
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   75 and name c )   (resid   76 and name n ) 
       (resid   76 and name ca)   (resid   76 and name c )  1.0 -60.0 30.0 2
assign (resid   76 and name n )   (resid   76 and name ca) 
       (resid   76 and name c )   (resid   77 and name n )  1.0 -40.0 60.0 2
!!
!! V77
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   76 and name c )   (resid   77 and name n ) 
       (resid   77 and name ca)   (resid   77 and name c )  1.0 -60.0 30.0 2
assign (resid   77 and name n )   (resid   77 and name ca) 
       (resid   77 and name c )   (resid   78 and name n )  1.0 -40.0 60.0 2
!!
!! Y78
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   77 and name c )   (resid   78 and name n ) 
       (resid   78 and name ca)   (resid   78 and name c )  1.0 -60.0 30.0 2
assign (resid   78 and name n )   (resid   78 and name ca) 
       (resid   78 and name c )   (resid   79 and name n )  1.0 -40.0 60.0 2
!!
!! C79
!!      Jhn-ha = small -- CSI = 'H'
assign (resid   78 and name c )   (resid   79 and name n ) 
       (resid   79 and name ca)   (resid   79 and name c )  1.0 -60.0 30.0 2
assign (resid   79 and name n )   (resid   79 and name ca) 
       (resid   79 and name c )   (resid   80 and name n )  1.0 -40.0 60.0 2
!!
!! A80
!!      Jhn-ha = small -- on the edge -- CSI = 'H'
assign (resid   79 and name c )   (resid   80 and name n ) 
       (resid   80 and name ca)   (resid   80 and name c )  1.0 -60.0 30.0 2
assign (resid   80 and name n )   (resid   80 and name ca) 
       (resid   80 and name c )   (resid   81 and name n )  1.0 -40.0 60.0 2
!!
!! L81
!! Jhn-ha = small -- on the edge -- CSI = 'H'
assign (resid   80 and name c )   (resid   81 and name n ) 
       (resid   81 and name ca)   (resid   81 and name c )  1.0 -60.0 30.0 2
assign (resid   81 and name n )   (resid   81 and name ca) 
       (resid   81 and name c )   (resid   82 and name n )  1.0 -40.0 60.0 2
!!
!! E82
!! Jhn-ha = 0.18p (9.1 Hz)
assign (resid   81 and name c )   (resid   82 and name n ) 
       (resid   82 and name ca)   (resid   82 and name c )  1.0 -120.0 50.0 2
!!
!! K83
!!      Jhn-ha = 0.16p (8.1 Hz)
assign (resid   82 and name c )   (resid   83 and name n ) 
       (resid   83 and name ca)   (resid   83 and name c )  1.0 -120.0 60.0 2
!!
!! E84
!! Jhn-ha = large but undetermined due to overlap
assign (resid   83 and name c )   (resid   84 and name n ) 
       (resid   84 and name ca)   (resid   84 and name c )  1.0 -120.0 60.0 2
!!
!! P85
!!
!! V86
!! Jhn-ha = 0.15p (7.6 Hz) -- intermediate
!!
!! P87
!!
!! M88
!!      Jhn-ha = 0.12p (6.0 Hz) -- intermediate
!!
!! S89
!! Jhn-ha = 0.16p (8.1 Hz)  - close to intermediate
assign (resid   88 and name c )   (resid   89 and name n ) 
 (resid   89 and name ca)   (resid   89 and name c )  1.0 -120.0 60.0 2
!!
!! L90
!! Jhn-ha = small
!!
!! P91
!! P92
!!
!! A93
!! Jhn-ha = small
!!
!!      L94
!!      Not determined
!!
!!      V95
!!      Jhn-ha = small
!!
!! P96
!! P97
!!
!! S98
!! Too weak in HMQC-J
!!
!! K99
!! Jhn-ha = 0.23p
assign (resid   98 and name c )   (resid   99 and name n ) 
       (resid   99 and name ca)   (resid   99 and name c )  1.0 -120.0 30.0 2
!!
!! R100
!! Jhn-ha = intermediate
!!
!! K101
!! Too weak in HMQC-J
!!
!! T102
!! not determined
!!
!! W103
!! Jhn-ha = 0.15p
!! disordered, so let's drop this
!! 
!! L104
!! Jhn-ha = 0.16/0.17 (8.0 Hz)
!!
!! E105
!! Jhn-ha = large
!!
!! I106
!!      Jhn-ha = large
!!
!! eh2_hbon.tbl
! EH2 hydrogen bonds from slow NH exchange
!
! Added hydrogen bonds based on helical conformations
! * means newly added
! ** means edited
!!
!! START
!!
!! helix A
!!
!! * K14 HN 
assign (resid   14 and  name N    )(resid   10 and  name O    ) 3.3 0.9 0.2
assign (resid   14 and  name HN   )(resid   10 and  name O    ) 2.4 0.9 0.4
!!
!! * A15 HN
assign (resid   15 and  name N    )(resid   11 and  name O    ) 3.3 0.9 0.2
assign (resid   15 and  name HN   )(resid   11 and  name O    ) 2.4 0.9 0.4
!!
!! * K16 HN
assign (resid   16 and  name N    )(resid   12 and  name O    ) 3.3 0.9 0.2
assign (resid   16 and  name HN   )(resid   12 and  name O    ) 2.4 0.9 0.4
!!
!! Y17 HN -- FAST
assign (resid   17 and  name N    )(resid   13 and  name O    ) 3.3 0.9 0.2
assign (resid   17 and  name HN   )(resid   13 and  name O    ) 2.4 0.9 0.4
!!
!! * D18 HN
assign (resid   18 and  name N    )(resid   14 and  name O    ) 3.3 0.9 0.2
assign (resid   18 and  name HN   )(resid   14 and  name O    ) 2.4 0.9 0.4
!!
!! * A19 -- leave out for now
! assign (resid   19 and  name N    )(resid   15 and  name O    ) 3.3 0.9 0.2
! assign (resid   19 and  name HN   )(resid   15 and  name O    ) 2.4 0.9 0.4
!
!! I20 HN -- FAST
assign (resid   20 and  name N    )(resid   16 and  name O    ) 3.3 0.9 0.2
assign (resid   20 and  name HN   )(resid   16 and  name O    ) 2.4 0.9 0.4
!!
!! F21 HN -- MEDIUM 
assign (resid   21 and  name N    )(resid   17 and  name O    ) 3.3 0.9 0.2
assign (resid   21 and  name HN   )(resid   17 and  name O    ) 2.4 0.9 0.4
!!
!! D22 HN -- MEDIUM
assign (resid   22 and  name N    )(resid   18 and  name O    ) 3.3 0.9 0.2
assign (resid   22 and  name HN   )(resid   18 and  name O    ) 2.4 0.9 0.4
!!
!! S23 HN -- VERY FAST 
!! * could be to 19:O or 20:O
!! assign (resid   23 and  name N    )(resid   20 and  name O    ) 3.3 0.9 0.2
!! assign (resid   23 and  name HN   )(resid   20 and  name O    ) 2.4 0.9 0.4
!!
!! L24 HN -- SLOW (bidentate wait for second run)
!! * target ?
!! assign (resid   24 and  name N    )(resid   21 and  name O    ) 3.3 0.9 0.2
!! assign (resid   24 and  name HN   )(resid   21 and  name O    ) 2.4 0.9 0.4
!!
!! beta-sheet
!! F30 HN -- VERY FAST
!! L31 HN -- MEDIUM
assign (resid   31 and  name N    )(resid   65 and  name O    ) 3.3 0.9 0.2
assign (resid   31 and  name HN   )(resid   65 and  name O    ) 2.4 0.9 0.4
!!
!! helix B
!! K35 HN 
assign (resid   35 and  name N    )(resid   32 and  name O    ) 3.3 0.9 0.2
assign (resid   35 and  name HN   )(resid   32 and  name O    ) 2.4 0.9 0.4
!!
!! V36 HN -- VERY FAST 
!! * added
assign (resid   36 and  name N    )(resid   32 and  name O    ) 3.3 0.9 0.2
assign (resid   36 and  name HN   )(resid   32 and  name O    ) 2.4 0.9 0.4
!!
!! K37 HN -- VERY FAST
!! * added
assign (resid   37 and  name N    )(resid   33 and  name O    ) 3.3 0.9 0.2
assign (resid   37 and  name HN   )(resid   33 and  name O    ) 2.4 0.9 0.4
!!
!! * V39 HN 
assign (resid   39 and  name N    )(resid   35 and  name O    ) 3.3 0.9 0.2
assign (resid   39 and  name HN   )(resid   35 and  name O    ) 2.4 0.9 0.4
!!
!! * L40 HN
assign (resid   40 and  name N    )(resid   36 and  name O    ) 3.3 0.9 0.2
assign (resid   40 and  name HN   )(resid   36 and  name O    ) 2.4 0.9 0.4
!!
!! * L41 HN
assign (resid   41 and  name N    )(resid   37 and  name O    ) 3.3 0.9 0.2
assign (resid   41 and  name HN   )(resid   37 and  name O    ) 2.4 0.9 0.4
!!
!! * N42 HN
!! * unclear
!! assign (resid   42 and  name N    )(resid   38 and  name O    ) 3.3 0.9 0.2
!! assign (resid   42 and  name HN   )(resid   38 and  name O    ) 2.4 0.9 0.4
!!
!! * S43 HN + helix cap residue ?
!! assign (resid   43 and  name OG   )(resid   40 and  name O    ) 3.3 0.9 0.2
!! assign (resid   43 and  name HG   )(resid   40 and  name O    ) 2.4 0.9 0.4
!! assign (resid   43 and  name N    )(resid   40 and  name O    ) 3.3 0.9 0.2
!! assign (resid   43 and  name HN   )(resid   40 and  name O    ) 2.4 0.9 0.4
!! assign (resid   43 and  name OG   )(resid   45 and  name O    ) 2.4 0.9 0.2
!!
!!
!! * K44 HN
!! * unclear
!! assign (resid   44 and  name N    )(resid   41 and  name O    ) 3.3 0.9 0.2
!! assign (resid   44 and  name HN   )(resid   41 and  name O    ) 2.4 0.9 0.4
!!
!! helix C
!!
!! * I49 HN
assign (resid   49 and  name N    )(resid   46 and  name O    ) 3.3 0.9 0.2
assign (resid   49 and  name HN   )(resid   46 and  name O    ) 2.4 0.9 0.4
!!
!! * L50 HN
assign (resid   50 and  name N    )(resid   46 and  name O    ) 3.3 0.9 0.2
assign (resid   50 and  name HN   )(resid   46 and  name O    ) 2.4 0.9 0.4
!!
!!
!! * G51 HN
assign (resid   51 and  name N    )(resid   47 and  name O    ) 3.3 0.9 0.2
assign (resid   51 and  name HN   )(resid   47 and  name O    ) 2.4 0.9 0.4
!!
!! * R52 HN
assign (resid   52 and  name N    )(resid   48 and  name O    ) 3.3 0.9 0.2
assign (resid   52 and  name HN   )(resid   48 and  name O    ) 2.4 0.9 0.4
!!
!! * V53 HN
assign (resid   53 and  name N    )(resid   49 and  name O    ) 3.3 0.9 0.2
assign (resid   53 and  name HN   )(resid   49 and  name O    ) 2.4 0.9 0.4
!!
!! * W54 HN
assign (resid   54 and  name N    )(resid   50 and  name O    ) 3.3 0.9 0.2
assign (resid   54 and  name HN   )(resid   50 and  name O    ) 2.4 0.9 0.4
!!
!!
!! E55 HN -- MEDIUM
!! assign (resid   55 and  name N    )(resid   51 and  name O    ) 3.3 0.9 0.2
!! assign (resid   55 and  name HN   )(resid   51 and  name O    ) 2.4 0.9 0.4
!!
!! L56 HN -- SLOW 
assign (resid   56 and  name N    )(resid   52 and  name O    ) 3.3 0.9 0.2
assign (resid   56 and  name HN   )(resid   52 and  name O    ) 2.4 0.9 0.4
!!
!! S57 HN -- SLOW  (bidentate) -- wait for second run
!! or S57:HG or S57:HG E69:O
!! assign (resid   57 and  name N    )(resid   53 and  name O    ) 3.3 0.9 0.2
!! assign (resid   57 and  name HN   )(resid   53 and  name O    ) 2.4 0.9 0.4
!!
!! S57 HN -- SLOW
!! assign (resid   57 and  name N    )(resid   54 and  name O    ) 3.3 0.9 0.2
!! assign (resid   57 and  name HN   )(resid   54 and  name O    ) 2.4 0.9 0.4
!!
!! D58 HN -- SLOW --  EF-hand wait for second run
assign (resid   58 and  name N    )(resid   54 and  name O    ) 3.3 0.9 0.2
assign (resid   58 and  name HN   )(resid   54 and  name O    ) 2.4 0.9 0.4
!!
!! I59 HN -- SLOW 
assign (resid   59 and  name N    )(resid   57 and  name O    ) 3.3 0.9 0.2
assign (resid   59 and  name HN   )(resid   57 and  name O    ) 2.4 0.9 0.4
!!
!! assign (resid   59 and  name N    )(resid   69 and  name OE1    ) 3.3 0.9 0.2
!!      assign (resid   59 and  name HN   )(resid   69 and  name OE1    ) 2.4 0.9 0.4
!!
!! D60 HN VERY FAST
!! -- long H-bond
!!      assign (resid   60 and  name N    )(resid   69 and  name OE1    ) 3.3 0.9 0.2
!!      assign (resid   60 and  name HN   )(resid   69 and  name OE1    ) 2.4 0.9 0.4
!!
!! H61 HN MEDIUM - bifurcated -- long bonds
!! assign (resid   61 and  name N    )(resid   58 and  name O    ) 3.3 0.9 0.2
!! assign (resid   61 and  name HN   )(resid   58 and  name O    ) 2.4 0.9 0.4
!! + 
!! assign (resid   61 and  name N    )(resid   58 and  name OD1    ) 3.3 0.9 0.2
!! assign (resid   61 and  name HN   )(resid   58 and  name OD1    ) 2.4 0.9 0.4
!! these bonds are long thus leaving it out for now
!!
!! D62 HN MEDIUM
!! in EF-hands
!!      assign (resid   62 and  name N    )(resid   58 and  name OD1    ) 3.3 0.9 0.2
!!      assign (resid   62 and  name HN   )(resid   58 and  name OD1    ) 2.4 0.9 0.4 
!!
!!      assign (resid   62 and  name N    )(resid   60 and  name OD2    ) 3.3 0.9 0.2
!!      assign (resid   62 and  name HN   )(resid   60 and  name OD2    ) 2.4 0.9 0.4 
!!
!! G63 HN FAST -- in EF-hand :
!! in EF-hands   G63:HN to Asp-58 O side chain + H2O
!!      assign (resid   63 and  name N    )(resid   58 and  name OD2    ) 3.3 0.9 0.2
!!      assign (resid   63 and  name HN   )(resid   58 and  name OD2    ) 2.4 0.9 0.4
!!
!! M64 HN SLOW 
!!
!!      assign (resid   64 and  name N    )(resid   62 and  name OD2    ) 3.3 0.9 0.2
!!      assign (resid   64 and  name HN   )(resid   62 and  name OD2    ) 2.4 0.9 0.4
!!
!! L65 HN SLOW
assign (resid   65 and  name N    )(resid   31 and  name O    ) 3.3 0.9 0.2
assign (resid   65 and  name HN   )(resid   31 and  name O    ) 2.4 0.9 0.4
!!
!! D66 HN SLOW 
!!
! assign (resid   66 and  name N    )(resid   69 and  name OE2    ) 3.3 0.9 0.2
! assign (resid   66 and  name HN   )(resid   69 and  name OE2    ) 2.4 0.9 0.4
!! 
!! R67 HN VERY FAST
!! bonds to conserved H2O
!! D68 HN VERY FAST
!! no bonds
!!
!! E69 HN SLOW 
!! to side chain of D66 
!! assign (resid   69 and  name N    )(resid   66 and  name OD1    ) 3.3 0.9 0.2
!! assign (resid   69 and  name HN   )(resid   66 and  name OD1    ) 2.4 0.9 0.4
!!
!! helix D
!!
!! F70 HN SLOW
assign (resid   70 and  name N    )(resid   66 and  name O    ) 3.3 0.9 0.2
assign (resid   70 and  name HN   )(resid   66 and  name O    ) 2.4 0.9 0.4
!!
!! A71 HN SLOW 
assign (resid   71 and  name N    )(resid   67 and  name O    ) 3.3 0.9 0.2
assign (resid   71 and  name HN   )(resid   67 and  name O    ) 2.4 0.9 0.4
!!
!! V72 HN SLOW 
assign (resid   72 and  name N    )(resid   68 and  name O    ) 3.3 0.9 0.2
assign (resid   72 and  name HN   )(resid   68 and  name O    ) 2.4 0.9 0.4
!!
!! A73 HN SLOW
assign (resid   73 and  name N    )(resid   69 and  name O    ) 3.3 0.9 0.2
assign (resid   73 and  name HN   )(resid   69 and  name O    ) 2.4 0.9 0.4
!!
!! M74 HN SLOW
assign (resid   74 and  name N    )(resid   70 and  name O    ) 3.3 0.9 0.2
assign (resid   74 and  name HN   )(resid   70 and  name O    ) 2.4 0.9 0.4
!!
!! F75 HN SLOW 
assign (resid   75 and  name N    )(resid   71 and  name O    ) 3.3 0.9 0.2
assign (resid   75 and  name HN   )(resid   71 and  name O    ) 2.4 0.9 0.4
!!
!! L76 HN SLOW
assign (resid   76 and  name N    )(resid   72 and  name O    ) 3.3 0.9 0.2
assign (resid   76 and  name HN   )(resid   72 and  name O    ) 2.4 0.9 0.4
!!
!! V77 HN SLOW
assign (resid   77 and  name N    )(resid   73 and  name O    ) 3.3 0.9 0.2
assign (resid   77 and  name HN   )(resid   73 and  name O    ) 2.4 0.9 0.4
!!
!! Y78 HN SLOW
assign (resid   78 and  name N    )(resid   74 and  name O    ) 3.3 0.9 0.2
assign (resid   78 and  name HN   )(resid   74 and  name O    ) 2.4 0.9 0.4
!!
!! C79 HN SLOW
assign (resid   79 and  name N    )(resid   75 and  name O    ) 3.3 0.9 0.2
assign (resid   79 and  name HN   )(resid   75 and  name O    ) 2.4 0.9 0.2
!!
!! * A80 HN  -- removed when 7/45 violated
!! assign (resid   80 and  name N    )(resid   76 and  name O    ) 3.3 0.9 0.2
!! assign (resid   80 and  name HN   )(resid   76 and  name O    ) 2.4 0.9 0.2
!!
!! * L81 HN    -- removed when 7/25 violated
!! assign (resid   81 and  name N    )(resid   77 and  name O    ) 3.3 0.9 0.2
!! assign (resid   81 and  name HN   )(resid   77 and  name O    ) 2.4 0.9 0.2
!!
!! * E82 HN   
assign (resid   82 and  name N    )(resid   78 and  name O    ) 3.3 0.9 0.2
assign (resid   82 and  name HN   )(resid   78 and  name O    ) 2.4 0.9 0.2
!!
!! * K83:HN or E84:HN to C79:O
!!
!! CAL_restraints.tbl
!! Table containing Ca-constraints
!!
!! assign () () d dminus dplus
!!
!! thus limits are 1.8 - 2.8
!!
assign (resid   58 and   name OD1   )(resid  113 and   name CAL   )  2.5 0.8 0.3
assign (resid   60 and   name OD1   )(resid  113 and   name CAL   )  2.5 0.8 0.3
assign (resid   62 and   name OD1   )(resid  113 and   name CAL   )  2.5 0.8 0.3
assign (resid   64 and   name O     )(resid  113 and   name CAL   )  2.5 0.8 0.3
assign (resid   69 and   name OE1   )(resid  113 and   name CAL   )  2.5 0.8 0.3
assign (resid   69 and   name OE2   )(resid  113 and   name CAL   )  2.5 0.8 0.3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO   6           HA       PRO   6  -1.421   6.968 -27.160
    2   1HB   PRO   6          2HB       PRO   6  -2.934   4.695 -27.123
    3   2HB   PRO   6          1HB       PRO   6  -2.685   5.663 -28.589
    4   1HG   PRO   6          2HG       PRO   6  -1.414   3.108 -27.772
    5   2HG   PRO   6          1HG       PRO   6  -1.876   3.677 -29.382
    6   1HD   PRO   6          2HD       PRO   6   0.696   3.697 -28.389
    7   2HD   PRO   6          1HD       PRO   6   0.113   4.735 -29.708
    8    H    TRP   7           H        TRP   7  -2.960   5.943 -25.269
    9    HA   TRP   7           HA       TRP   7  -1.121   5.388 -23.025
   10   1HB   TRP   7          2HB       TRP   7  -2.942   7.082 -22.928
   11   2HB   TRP   7          1HB       TRP   7  -4.128   5.798 -23.164
   12    HD1  TRP   7           HD1      TRP   7  -1.211   4.814 -21.070
   13    HE1  TRP   7           HE1      TRP   7  -1.900   4.680 -18.589
   14    HE3  TRP   7           HE3      TRP   7  -5.812   7.017 -21.314
   15    HZ2  TRP   7           HZ2      TRP   7  -4.112   5.412 -16.928
   16    HZ3  TRP   7           HZ3      TRP   7  -7.187   7.287 -19.270
   17    HH2  TRP   7           HH2      TRP   7  -6.343   6.487 -17.079
   18    H    ALA   8           H        ALA   8  -0.722   3.316 -22.390
   19    HA   ALA   8           HA       ALA   8  -1.605   0.952 -23.498
   20   1HB   ALA   8          1HB       ALA   8   0.106   0.825 -21.903
   21   2HB   ALA   8          2HB       ALA   8  -1.249   0.109 -21.029
   22   3HB   ALA   8          3HB       ALA   8  -0.793   1.786 -20.730
   23    H    VAL   9           H        VAL   9  -3.357   2.989 -21.229
   24    HA   VAL   9           HA       VAL   9  -5.524   0.951 -21.011
   25    HB   VAL   9           HB       VAL   9  -4.718   3.449 -19.522
   26   1HG1  VAL   9          1HG1      VAL   9  -6.765   2.876 -18.063
   27   2HG1  VAL   9          2HG1      VAL   9  -7.348   1.963 -19.455
   28   3HG1  VAL   9          3HG1      VAL   9  -7.076   3.699 -19.591
   29   1HG2  VAL   9          1HG2      VAL   9  -5.198   0.565 -18.704
   30   2HG2  VAL   9          2HG2      VAL   9  -4.667   1.856 -17.626
   31   3HG2  VAL   9          3HG2      VAL   9  -3.620   1.317 -18.940
   32    H    LYS  10           H        LYS  10  -7.539   1.312 -21.892
   33    HA   LYS  10           HA       LYS  10  -7.837   3.634 -23.724
   34   1HB   LYS  10          2HB       LYS  10  -8.585   0.862 -23.618
   35   2HB   LYS  10          1HB       LYS  10 -10.052   1.832 -23.754
   36   1HG   LYS  10          2HG       LYS  10  -8.690   3.120 -25.600
   37   2HG   LYS  10          1HG       LYS  10  -7.729   1.641 -25.649
   38   1HD   LYS  10          2HD       LYS  10 -10.638   1.175 -25.629
   39   2HD   LYS  10          1HD       LYS  10 -10.058   2.032 -27.058
   40   1HE   LYS  10          2HE       LYS  10  -8.516  -0.368 -26.129
   41   2HE   LYS  10          1HE       LYS  10 -10.036  -0.620 -27.010
   42   1HZ   LYS  10          1HZ       LYS  10  -9.270   0.499 -28.849
   43   2HZ   LYS  10          2HZ       LYS  10  -7.838  -0.253 -28.327
   44   3HZ   LYS  10          3HZ       LYS  10  -8.119   1.386 -27.977
   45    HA   PRO  11           HA       PRO  11 -10.985   5.626 -21.374
   46   1HB   PRO  11          2HB       PRO  11 -13.200   5.741 -22.978
   47   2HB   PRO  11          1HB       PRO  11 -11.755   6.735 -23.251
   48   1HG   PRO  11          2HG       PRO  11 -12.626   4.239 -24.612
   49   2HG   PRO  11          1HG       PRO  11 -11.839   5.675 -25.284
   50   1HD   PRO  11          2HD       PRO  11 -10.524   3.351 -24.746
   51   2HD   PRO  11          1HD       PRO  11  -9.741   4.946 -24.729
   52    H    GLU  12           H        GLU  12 -12.081   2.637 -22.887
   53    HA   GLU  12           HA       GLU  12 -14.332   2.220 -21.074
   54   1HB   GLU  12          2HB       GLU  12 -12.898   0.114 -22.698
   55   2HB   GLU  12          1HB       GLU  12 -14.617   0.224 -22.322
   56   1HG   GLU  12          2HG       GLU  12 -13.023   1.915 -24.251
   57   2HG   GLU  12          1HG       GLU  12 -14.420   0.896 -24.599
   58    H    ASP  13           H        ASP  13 -10.945   1.281 -21.211
   59    HA   ASP  13           HA       ASP  13 -11.115  -0.667 -19.039
   60   1HB   ASP  13          2HB       ASP  13  -9.172   0.455 -20.927
   61   2HB   ASP  13          1HB       ASP  13  -8.473   0.189 -19.329
   62    H    LYS  14           H        LYS  14 -10.295   2.742 -19.414
   63    HA   LYS  14           HA       LYS  14  -9.501   3.056 -16.614
   64   1HB   LYS  14          2HB       LYS  14  -8.560   4.353 -18.542
   65   2HB   LYS  14          1HB       LYS  14 -10.145   5.095 -18.762
   66   1HG   LYS  14          2HG       LYS  14  -9.555   5.383 -16.027
   67   2HG   LYS  14          1HG       LYS  14  -8.066   5.792 -16.877
   68   1HD   LYS  14          2HD       LYS  14 -10.043   7.015 -18.403
   69   2HD   LYS  14          1HD       LYS  14 -10.586   7.266 -16.744
   70   1HE   LYS  14          2HE       LYS  14  -7.890   7.794 -16.535
   71   2HE   LYS  14          1HE       LYS  14  -8.278   8.441 -18.142
   72   1HZ   LYS  14          1HZ       LYS  14 -10.243   9.515 -17.137
   73   2HZ   LYS  14          2HZ       LYS  14  -8.782  10.105 -16.502
   74   3HZ   LYS  14          3HZ       LYS  14  -9.721   9.008 -15.605
   75    H    ALA  15           H        ALA  15 -12.384   3.118 -18.480
   76    HA   ALA  15           HA       ALA  15 -13.974   4.891 -16.837
   77   1HB   ALA  15          1HB       ALA  15 -14.608   2.632 -18.765
   78   2HB   ALA  15          2HB       ALA  15 -14.583   4.358 -19.128
   79   3HB   ALA  15          3HB       ALA  15 -15.835   3.696 -18.077
   80    H    LYS  16           H        LYS  16 -13.403   1.381 -16.907
   81    HA   LYS  16           HA       LYS  16 -15.230   0.818 -14.715
   82   1HB   LYS  16          2HB       LYS  16 -14.802  -1.311 -15.412
   83   2HB   LYS  16          1HB       LYS  16 -13.882  -0.571 -16.716
   84   1HG   LYS  16          2HG       LYS  16 -11.835  -0.935 -15.655
   85   2HG   LYS  16          1HG       LYS  16 -12.565  -1.087 -14.058
   86   1HD   LYS  16          2HD       LYS  16 -12.035  -3.308 -14.634
   87   2HD   LYS  16          1HD       LYS  16 -13.751  -3.175 -15.018
   88   1HE   LYS  16          2HE       LYS  16 -12.660  -2.357 -17.381
   89   2HE   LYS  16          1HE       LYS  16 -11.445  -3.534 -16.839
   90   1HZ   LYS  16          1HZ       LYS  16 -14.344  -3.939 -17.243
   91   2HZ   LYS  16          2HZ       LYS  16 -13.453  -4.959 -16.218
   92   3HZ   LYS  16          3HZ       LYS  16 -13.053  -4.847 -17.865
   93    H    TYR  17           H        TYR  17 -11.833   1.625 -15.087
   94    HA   TYR  17           HA       TYR  17 -10.956   1.001 -12.416
   95   1HB   TYR  17          2HB       TYR  17 -10.010   3.085 -14.419
   96   2HB   TYR  17          1HB       TYR  17  -9.075   2.483 -13.055
   97    HD1  TYR  17           HD1      TYR  17  -7.761   2.231 -15.549
   98    HD2  TYR  17           HD2      TYR  17 -10.798  -0.320 -13.907
   99    HE1  TYR  17           HE1      TYR  17  -6.919   0.354 -16.934
  100    HE2  TYR  17           HE2      TYR  17  -9.965  -2.199 -15.297
  101    HH   TYR  17           HH       TYR  17  -8.610  -2.311 -17.617
  102    H    ASP  18           H        ASP  18 -12.408   3.844 -13.942
  103    HA   ASP  18           HA       ASP  18 -12.108   5.629 -11.685
  104   1HB   ASP  18          2HB       ASP  18 -13.846   5.493 -14.158
  105   2HB   ASP  18          1HB       ASP  18 -13.994   6.820 -13.004
  106    H    ALA  19           H        ALA  19 -14.337   3.051 -12.416
  107    HA   ALA  19           HA       ALA  19 -16.425   3.991 -10.573
  108   1HB   ALA  19          1HB       ALA  19 -15.870   1.623 -12.332
  109   2HB   ALA  19          2HB       ALA  19 -17.278   2.685 -12.306
  110   3HB   ALA  19          3HB       ALA  19 -17.077   1.457 -11.057
  111    H    ILE  20           H        ILE  20 -13.776   1.636 -10.626
  112    HA   ILE  20           HA       ILE  20 -14.304   0.607  -7.960
  113    HB   ILE  20           HB       ILE  20 -11.997   0.517  -9.931
  114   1HG1  ILE  20          2HG1      ILE  20 -13.702  -1.798  -9.048
  115   2HG1  ILE  20          1HG1      ILE  20 -14.306  -0.681 -10.272
  116   1HG2  ILE  20          1HG2      ILE  20 -10.750  -0.768  -8.500
  117   2HG2  ILE  20          2HG2      ILE  20 -12.168  -1.416  -7.675
  118   3HG2  ILE  20          3HG2      ILE  20 -11.593   0.208  -7.300
  119   1HD1  ILE  20          1HD1      ILE  20 -12.316  -1.084 -11.655
  120   2HD1  ILE  20          2HD1      ILE  20 -13.128  -2.608 -11.297
  121   3HD1  ILE  20          3HD1      ILE  20 -11.664  -2.163 -10.421
  122    H    PHE  21           H        PHE  21 -12.471   3.176  -9.457
  123    HA   PHE  21           HA       PHE  21 -10.843   3.813  -7.151
  124   1HB   PHE  21          2HB       PHE  21  -9.889   4.630  -9.082
  125   2HB   PHE  21          1HB       PHE  21 -11.449   4.847  -9.870
  126    HD1  PHE  21           HD1      PHE  21  -8.736   6.484  -8.196
  127    HD2  PHE  21           HD2      PHE  21 -12.940   6.794  -9.027
  128    HE1  PHE  21           HE1      PHE  21  -8.659   8.912  -7.692
  129    HE2  PHE  21           HE2      PHE  21 -12.862   9.220  -8.524
  130    HZ   PHE  21           HZ       PHE  21 -10.723  10.279  -7.857
  131    H    ASP  22           H        ASP  22 -13.936   4.878  -8.465
  132    HA   ASP  22           HA       ASP  22 -14.304   6.898  -6.342
  133   1HB   ASP  22          2HB       ASP  22 -15.023   7.478  -8.551
  134   2HB   ASP  22          1HB       ASP  22 -15.874   5.946  -8.747
  135    H    SER  23           H        SER  23 -14.588   3.606  -6.467
  136    HA   SER  23           HA       SER  23 -17.150   3.410  -4.975
  137   1HB   SER  23          2HB       SER  23 -16.870   1.674  -6.545
  138   2HB   SER  23          1HB       SER  23 -15.143   1.539  -6.225
  139    HG   SER  23           HG       SER  23 -17.145   0.174  -5.138
  140    H    LEU  24           H        LEU  24 -13.966   4.108  -4.336
  141    HA   LEU  24           HA       LEU  24 -13.981   2.843  -1.624
  142   1HB   LEU  24          2HB       LEU  24 -11.575   4.202  -2.731
  143   2HB   LEU  24          1HB       LEU  24 -11.691   2.682  -1.852
  144    HG   LEU  24           HG       LEU  24 -12.568   3.049  -4.726
  145   1HD1  LEU  24          1HD1      LEU  24  -9.967   3.090  -3.793
  146   2HD1  LEU  24          2HD1      LEU  24 -10.453   2.606  -5.420
  147   3HD1  LEU  24          3HD1      LEU  24 -10.213   1.386  -4.168
  148   1HD2  LEU  24          1HD2      LEU  24 -12.734   0.656  -4.752
  149   2HD2  LEU  24          2HD2      LEU  24 -13.578   1.195  -3.300
  150   3HD2  LEU  24          3HD2      LEU  24 -11.951   0.524  -3.177
  151    H    SER  25           H        SER  25 -14.607   5.696  -3.240
  152    HA   SER  25           HA       SER  25 -15.232   7.804  -2.303
  153   1HB   SER  25          2HB       SER  25 -13.631   7.177   0.162
  154   2HB   SER  25          1HB       SER  25 -15.108   8.125   0.007
  155    HG   SER  25           HG       SER  25 -16.275   6.327  -0.011
  156    HA   PRO  26           HA       PRO  26 -11.063   8.917  -3.770
  157   1HB   PRO  26          2HB       PRO  26 -11.979  10.754  -5.572
  158   2HB   PRO  26          1HB       PRO  26 -11.894   9.016  -5.927
  159   1HG   PRO  26          2HG       PRO  26 -14.232  10.673  -5.134
  160   2HG   PRO  26          1HG       PRO  26 -14.132   9.355  -6.313
  161   1HD   PRO  26          2HD       PRO  26 -15.155   9.051  -3.806
  162   2HD   PRO  26          1HD       PRO  26 -14.381   7.733  -4.710
  163    H    VAL  27           H        VAL  27  -9.873  10.777  -3.274
  164    HA   VAL  27           HA       VAL  27 -11.342  12.955  -1.829
  165    HB   VAL  27           HB       VAL  27  -8.654  11.636  -1.337
  166   1HG1  VAL  27          1HG1      VAL  27  -9.105  13.334   0.779
  167   2HG1  VAL  27          2HG1      VAL  27  -9.695  14.286  -0.583
  168   3HG1  VAL  27          3HG1      VAL  27  -8.037  13.687  -0.580
  169   1HG2  VAL  27          1HG2      VAL  27 -10.875  10.584  -0.540
  170   2HG2  VAL  27          2HG2      VAL  27 -10.981  11.955   0.566
  171   3HG2  VAL  27          3HG2      VAL  27  -9.625  10.833   0.677
  172    H    ASN  28           H        ASN  28 -11.371  14.566  -3.394
  173    HA   ASN  28           HA       ASN  28 -10.523  16.202  -4.866
  174   1HB   ASN  28          2HB       ASN  28  -9.124  16.773  -2.985
  175   2HB   ASN  28          1HB       ASN  28  -8.061  15.401  -3.286
  176   1HD2  ASN  28          1HD2      ASN  28  -6.216  15.870  -4.487
  177   2HD2  ASN  28          2HD2      ASN  28  -6.035  17.218  -5.503
  178    H    GLY  29           H        GLY  29 -10.377  13.148  -5.456
  179   1HA   GLY  29          2HA       GLY  29  -9.981  12.189  -7.631
  180   2HA   GLY  29          1HA       GLY  29  -8.812  13.469  -7.955
  181    H    PHE  30           H        PHE  30  -8.909  11.445  -5.044
  182    HA   PHE  30           HA       PHE  30  -6.542   9.922  -5.988
  183   1HB   PHE  30          2HB       PHE  30  -6.611  11.861  -3.668
  184   2HB   PHE  30          1HB       PHE  30  -5.331  10.654  -3.875
  185    HD1  PHE  30           HD1      PHE  30  -6.717  13.808  -5.045
  186    HD2  PHE  30           HD2      PHE  30  -3.911  10.682  -5.907
  187    HE1  PHE  30           HE1      PHE  30  -5.602  15.276  -6.691
  188    HE2  PHE  30           HE2      PHE  30  -2.775  12.157  -7.556
  189    HZ   PHE  30           HZ       PHE  30  -3.623  14.456  -7.950
  190    H    LEU  31           H        LEU  31  -6.179   8.021  -4.835
  191    HA   LEU  31           HA       LEU  31  -8.207   7.340  -2.716
  192   1HB   LEU  31          2HB       LEU  31  -7.029   5.747  -4.998
  193   2HB   LEU  31          1HB       LEU  31  -7.779   4.965  -3.606
  194    HG   LEU  31           HG       LEU  31  -9.079   6.855  -5.568
  195   1HD1  LEU  31          1HD1      LEU  31  -9.404   4.823  -6.541
  196   2HD1  LEU  31          2HD1      LEU  31 -10.601   4.581  -5.265
  197   3HD1  LEU  31          3HD1      LEU  31  -8.962   3.958  -5.066
  198   1HD2  LEU  31          1HD2      LEU  31 -10.044   5.770  -2.907
  199   2HD2  LEU  31          2HD2      LEU  31 -11.140   6.393  -4.141
  200   3HD2  LEU  31          3HD2      LEU  31  -9.945   7.460  -3.403
  201    H    SER  32           H        SER  32  -7.244   6.729  -0.826
  202    HA   SER  32           HA       SER  32  -4.329   6.660  -0.643
  203   1HB   SER  32          2HB       SER  32  -5.421   5.719   1.746
  204   2HB   SER  32          1HB       SER  32  -5.051   7.401   1.378
  205    HG   SER  32           HG       SER  32  -7.489   6.013   1.255
  206    H    GLY  33           H        GLY  33  -3.051   4.795  -0.184
  207   1HA   GLY  33          2HA       GLY  33  -3.669   2.385  -1.443
  208   2HA   GLY  33          1HA       GLY  33  -2.570   2.485  -0.065
  209    H    ASP  34           H        ASP  34  -4.785   3.627   1.601
  210    HA   ASP  34           HA       ASP  34  -5.715   1.217   2.824
  211   1HB   ASP  34          2HB       ASP  34  -5.538   3.284   4.054
  212   2HB   ASP  34          1HB       ASP  34  -6.597   4.117   2.915
  213    H    LYS  35           H        LYS  35  -6.890   3.056   0.095
  214    HA   LYS  35           HA       LYS  35  -9.501   1.611   0.167
  215   1HB   LYS  35          2HB       LYS  35  -8.408   4.040  -1.291
  216   2HB   LYS  35          1HB       LYS  35  -9.984   3.341  -1.658
  217   1HG   LYS  35          2HG       LYS  35 -10.844   3.858   0.484
  218   2HG   LYS  35          1HG       LYS  35  -9.234   4.105   1.162
  219   1HD   LYS  35          2HD       LYS  35  -8.952   6.171   0.036
  220   2HD   LYS  35          1HD       LYS  35 -10.286   5.845  -1.069
  221   1HE   LYS  35          2HE       LYS  35 -11.355   7.280   0.418
  222   2HE   LYS  35          1HE       LYS  35 -11.656   5.737   1.244
  223   1HZ   LYS  35          1HZ       LYS  35  -9.285   7.469   1.698
  224   2HZ   LYS  35          2HZ       LYS  35  -9.656   6.031   2.523
  225   3HZ   LYS  35          3HZ       LYS  35 -10.637   7.404   2.722
  226    H    VAL  36           H        VAL  36  -6.528   2.153  -1.628
  227    HA   VAL  36           HA       VAL  36  -7.354   0.502  -3.912
  228    HB   VAL  36           HB       VAL  36  -4.715   1.693  -3.030
  229   1HG1  VAL  36          1HG1      VAL  36  -3.780   0.944  -4.987
  230   2HG1  VAL  36          2HG1      VAL  36  -5.309   1.009  -5.864
  231   3HG1  VAL  36          3HG1      VAL  36  -4.975  -0.333  -4.771
  232   1HG2  VAL  36          1HG2      VAL  36  -6.022   2.829  -5.371
  233   2HG2  VAL  36          2HG2      VAL  36  -5.438   3.639  -3.917
  234   3HG2  VAL  36          3HG2      VAL  36  -7.052   2.930  -3.941
  235    H    LYS  37           H        LYS  37  -5.027   0.220  -1.201
  236    HA   LYS  37           HA       LYS  37  -3.817  -2.197  -1.690
  237   1HB   LYS  37          2HB       LYS  37  -3.369  -0.900   0.295
  238   2HB   LYS  37          1HB       LYS  37  -5.018  -1.123   0.875
  239   1HG   LYS  37          2HG       LYS  37  -4.637  -3.288   1.559
  240   2HG   LYS  37          1HG       LYS  37  -3.436  -3.581   0.299
  241   1HD   LYS  37          2HD       LYS  37  -1.772  -3.100   1.730
  242   2HD   LYS  37          1HD       LYS  37  -2.472  -1.511   2.043
  243   1HE   LYS  37          2HE       LYS  37  -4.151  -2.891   3.562
  244   2HE   LYS  37          1HE       LYS  37  -2.818  -4.062   3.581
  245   1HZ   LYS  37          1HZ       LYS  37  -2.314  -1.185   3.999
  246   2HZ   LYS  37          2HZ       LYS  37  -1.348  -2.510   4.442
  247   3HZ   LYS  37          3HZ       LYS  37  -2.778  -2.172   5.297
  248    HA   PRO  38           HA       PRO  38  -7.628  -4.638  -0.073
  249   1HB   PRO  38          2HB       PRO  38 -10.027  -3.307  -0.104
  250   2HB   PRO  38          1HB       PRO  38  -8.980  -3.382   1.328
  251   1HG   PRO  38          2HG       PRO  38  -9.284  -1.205  -0.683
  252   2HG   PRO  38          1HG       PRO  38  -9.130  -1.096   1.077
  253   1HD   PRO  38          2HD       PRO  38  -7.067  -0.607  -0.575
  254   2HD   PRO  38          1HD       PRO  38  -6.841  -1.337   1.028
  255    H    VAL  39           H        VAL  39  -8.041  -2.115  -2.484
  256    HA   VAL  39           HA       VAL  39  -9.799  -3.545  -4.267
  257    HB   VAL  39           HB       VAL  39  -7.984  -1.164  -4.290
  258   1HG1  VAL  39          1HG1      VAL  39  -9.367  -2.140  -6.797
  259   2HG1  VAL  39          2HG1      VAL  39  -7.644  -2.362  -6.493
  260   3HG1  VAL  39          3HG1      VAL  39  -8.310  -0.739  -6.630
  261   1HG2  VAL  39          1HG2      VAL  39 -10.262  -0.244  -5.218
  262   2HG2  VAL  39          2HG2      VAL  39 -10.113  -0.635  -3.507
  263   3HG2  VAL  39          3HG2      VAL  39 -10.906  -1.766  -4.603
  264    H    LEU  40           H        LEU  40  -6.292  -3.339  -3.856
  265    HA   LEU  40           HA       LEU  40  -5.741  -4.956  -6.254
  266   1HB   LEU  40          2HB       LEU  40  -3.990  -3.968  -3.979
  267   2HB   LEU  40          1HB       LEU  40  -3.428  -4.548  -5.549
  268    HG   LEU  40           HG       LEU  40  -5.323  -2.214  -5.224
  269   1HD1  LEU  40          1HD1      LEU  40  -2.339  -2.378  -5.175
  270   2HD1  LEU  40          2HD1      LEU  40  -3.423  -1.281  -4.322
  271   3HD1  LEU  40          3HD1      LEU  40  -3.084  -1.027  -6.032
  272   1HD2  LEU  40          1HD2      LEU  40  -5.372  -3.396  -7.379
  273   2HD2  LEU  40          2HD2      LEU  40  -3.622  -3.207  -7.520
  274   3HD2  LEU  40          3HD2      LEU  40  -4.669  -1.787  -7.558
  275    H    LEU  41           H        LEU  41  -5.954  -5.355  -2.758
  276    HA   LEU  41           HA       LEU  41  -4.741  -7.974  -2.637
  277   1HB   LEU  41          2HB       LEU  41  -6.639  -6.392  -0.885
  278   2HB   LEU  41          1HB       LEU  41  -5.970  -7.951  -0.405
  279    HG   LEU  41           HG       LEU  41  -4.184  -5.693  -1.298
  280   1HD1  LEU  41          1HD1      LEU  41  -5.371  -6.242   1.431
  281   2HD1  LEU  41          2HD1      LEU  41  -5.399  -4.729   0.525
  282   3HD1  LEU  41          3HD1      LEU  41  -3.885  -5.315   1.216
  283   1HD2  LEU  41          1HD2      LEU  41  -2.942  -7.662  -1.204
  284   2HD2  LEU  41          2HD2      LEU  41  -3.922  -8.334   0.101
  285   3HD2  LEU  41          3HD2      LEU  41  -2.744  -7.065   0.445
  286    H    ASN  42           H        ASN  42  -7.707  -6.799  -3.834
  287    HA   ASN  42           HA       ASN  42  -9.249  -9.216  -3.232
  288   1HB   ASN  42          2HB       ASN  42  -9.820  -6.580  -3.638
  289   2HB   ASN  42          1HB       ASN  42 -10.191  -7.241  -5.231
  290   1HD2  ASN  42          1HD2      ASN  42 -11.861  -6.367  -2.659
  291   2HD2  ASN  42          2HD2      ASN  42 -13.000  -7.619  -2.539
  292    H    SER  43           H        SER  43  -7.010  -8.243  -5.592
  293    HA   SER  43           HA       SER  43  -8.147  -9.652  -7.886
  294   1HB   SER  43          2HB       SER  43  -5.957  -9.057  -8.866
  295   2HB   SER  43          1HB       SER  43  -6.671  -7.678  -8.036
  296    HG   SER  43           HG       SER  43  -5.283  -7.963  -6.365
  297    H    LYS  44           H        LYS  44  -7.082 -10.897  -5.070
  298    HA   LYS  44           HA       LYS  44  -6.323 -13.055  -4.468
  299   1HB   LYS  44          2HB       LYS  44  -7.807 -13.336  -6.702
  300   2HB   LYS  44          1HB       LYS  44  -6.251 -13.879  -7.331
  301   1HG   LYS  44          2HG       LYS  44  -7.068 -15.879  -6.490
  302   2HG   LYS  44          1HG       LYS  44  -6.204 -15.276  -5.075
  303   1HD   LYS  44          2HD       LYS  44  -8.615 -14.068  -4.723
  304   2HD   LYS  44          1HD       LYS  44  -9.118 -15.555  -5.530
  305   1HE   LYS  44          2HE       LYS  44  -8.766 -16.751  -3.638
  306   2HE   LYS  44          1HE       LYS  44  -7.109 -16.127  -3.508
  307   1HZ   LYS  44          1HZ       LYS  44  -9.353 -14.329  -2.918
  308   2HZ   LYS  44          2HZ       LYS  44  -7.773 -14.321  -2.294
  309   3HZ   LYS  44          3HZ       LYS  44  -8.901 -15.465  -1.742
  310    H    LEU  45           H        LEU  45  -4.595 -10.811  -6.000
  311    HA   LEU  45           HA       LEU  45  -2.220 -12.452  -6.708
  312   1HB   LEU  45          2HB       LEU  45  -3.175  -9.624  -7.010
  313   2HB   LEU  45          1HB       LEU  45  -1.442  -9.944  -7.103
  314    HG   LEU  45           HG       LEU  45  -3.521 -11.415  -8.745
  315   1HD1  LEU  45          1HD1      LEU  45  -1.603  -9.304  -9.741
  316   2HD1  LEU  45          2HD1      LEU  45  -3.230  -8.895  -9.198
  317   3HD1  LEU  45          3HD1      LEU  45  -3.005  -9.985 -10.567
  318   1HD2  LEU  45          1HD2      LEU  45  -1.764 -12.564  -9.687
  319   2HD2  LEU  45          2HD2      LEU  45  -1.025 -12.240  -8.117
  320   3HD2  LEU  45          3HD2      LEU  45  -0.649 -11.212  -9.502
  321    HA   PRO  46           HA       PRO  46  -0.313 -11.724  -2.829
  322   1HB   PRO  46          2HB       PRO  46   2.326 -11.729  -3.555
  323   2HB   PRO  46          1HB       PRO  46   1.335 -13.199  -3.508
  324   1HG   PRO  46          2HG       PRO  46   2.183 -11.570  -5.830
  325   2HG   PRO  46          1HG       PRO  46   1.967 -13.319  -5.693
  326   1HD   PRO  46          2HD       PRO  46   0.157 -11.616  -6.874
  327   2HD   PRO  46          1HD       PRO  46  -0.245 -13.214  -6.215
  328    H    VAL  47           H        VAL  47   1.207 -10.084  -1.731
  329    HA   VAL  47           HA       VAL  47   0.554  -7.413  -2.551
  330    HB   VAL  47           HB       VAL  47   2.010  -8.847  -0.420
  331   1HG1  VAL  47          1HG1      VAL  47   2.755  -5.984  -1.083
  332   2HG1  VAL  47          2HG1      VAL  47   3.832  -7.376  -1.183
  333   3HG1  VAL  47          3HG1      VAL  47   3.218  -6.850   0.382
  334   1HG2  VAL  47          1HG2      VAL  47   0.878  -6.394   0.430
  335   2HG2  VAL  47          2HG2      VAL  47   0.217  -8.016   0.636
  336   3HG2  VAL  47          3HG2      VAL  47  -0.209  -7.064  -0.785
  337    H    ASP  48           H        ASP  48   2.840  -9.614  -3.727
  338    HA   ASP  48           HA       ASP  48   4.993  -7.769  -4.288
  339   1HB   ASP  48          2HB       ASP  48   4.189 -10.472  -5.416
  340   2HB   ASP  48          1HB       ASP  48   5.731  -9.682  -5.746
  341    H    ILE  49           H        ILE  49   2.035  -8.800  -5.844
  342    HA   ILE  49           HA       ILE  49   2.684  -7.472  -8.385
  343    HB   ILE  49           HB       ILE  49  -0.003  -8.474  -7.442
  344   1HG1  ILE  49          2HG1      ILE  49   1.499 -10.266  -6.905
  345   2HG1  ILE  49          1HG1      ILE  49   0.726 -10.691  -8.428
  346   1HG2  ILE  49          1HG2      ILE  49  -0.461  -7.793  -9.543
  347   2HG2  ILE  49          2HG2      ILE  49   0.440  -9.215 -10.070
  348   3HG2  ILE  49          3HG2      ILE  49   1.246  -7.650  -9.955
  349   1HD1  ILE  49          1HD1      ILE  49   2.713  -9.671  -9.611
  350   2HD1  ILE  49          2HD1      ILE  49   3.064 -11.136  -8.690
  351   3HD1  ILE  49          3HD1      ILE  49   3.496  -9.556  -8.033
  352    H    LEU  50           H        LEU  50   0.654  -7.012  -5.556
  353    HA   LEU  50           HA       LEU  50  -0.522  -4.509  -6.509
  354   1HB   LEU  50          2HB       LEU  50  -0.375  -5.542  -3.681
  355   2HB   LEU  50          1HB       LEU  50  -1.655  -4.591  -4.427
  356    HG   LEU  50           HG       LEU  50  -0.977  -7.487  -5.019
  357   1HD1  LEU  50          1HD1      LEU  50  -3.359  -7.774  -4.206
  358   2HD1  LEU  50          2HD1      LEU  50  -3.290  -6.095  -3.664
  359   3HD1  LEU  50          3HD1      LEU  50  -2.196  -7.292  -2.971
  360   1HD2  LEU  50          1HD2      LEU  50  -2.224  -7.372  -6.912
  361   2HD2  LEU  50          2HD2      LEU  50  -1.990  -5.627  -6.808
  362   3HD2  LEU  50          3HD2      LEU  50  -3.446  -6.362  -6.139
  363    H    GLY  51           H        GLY  51   2.214  -5.568  -4.585
  364   1HA   GLY  51          2HA       GLY  51   2.788  -2.956  -3.442
  365   2HA   GLY  51          1HA       GLY  51   3.905  -4.325  -3.491
  366    H    ARG  52           H        ARG  52   3.413  -4.641  -6.388
  367    HA   ARG  52           HA       ARG  52   5.308  -2.548  -7.324
  368   1HB   ARG  52          2HB       ARG  52   5.975  -4.868  -7.566
  369   2HB   ARG  52          1HB       ARG  52   4.451  -5.257  -8.364
  370   1HG   ARG  52          2HG       ARG  52   5.049  -3.631 -10.175
  371   2HG   ARG  52          1HG       ARG  52   6.627  -3.429  -9.411
  372   1HD   ARG  52          2HD       ARG  52   5.475  -5.948 -10.645
  373   2HD   ARG  52          1HD       ARG  52   6.975  -5.103 -11.074
  374    HE   ARG  52           HE       ARG  52   7.476  -5.646  -8.483
  375   1HH1  ARG  52          1HH2      ARG  52   6.414  -7.533 -11.158
  376   2HH1  ARG  52          2HH2      ARG  52   6.816  -9.049 -10.422
  377   1HH2  ARG  52          2HH1      ARG  52   7.847  -7.629  -7.431
  378   2HH2  ARG  52          1HH1      ARG  52   7.626  -9.103  -8.314
  379    H    VAL  53           H        VAL  53   2.065  -3.896  -7.936
  380    HA   VAL  53           HA       VAL  53   1.686  -2.475 -10.445
  381    HB   VAL  53           HB       VAL  53  -0.092  -3.826  -8.407
  382   1HG1  VAL  53          1HG1      VAL  53  -1.536  -3.318 -10.808
  383   2HG1  VAL  53          2HG1      VAL  53  -0.881  -1.775 -10.261
  384   3HG1  VAL  53          3HG1      VAL  53  -1.901  -2.731  -9.186
  385   1HG2  VAL  53          1HG2      VAL  53   0.073  -5.611  -9.811
  386   2HG2  VAL  53          2HG2      VAL  53   1.455  -4.757 -10.499
  387   3HG2  VAL  53          3HG2      VAL  53  -0.137  -4.610 -11.252
  388    H    TRP  54           H        TRP  54   1.046  -1.776  -7.031
  389    HA   TRP  54           HA       TRP  54  -0.410   0.673  -7.408
  390   1HB   TRP  54          2HB       TRP  54  -0.453  -0.225  -5.228
  391   2HB   TRP  54          1HB       TRP  54   1.279  -0.564  -5.233
  392    HD1  TRP  54           HD1      TRP  54   2.918   1.644  -5.165
  393    HE1  TRP  54           HE1      TRP  54   2.591   3.902  -4.010
  394    HE3  TRP  54           HE3      TRP  54  -2.111   1.481  -4.361
  395    HZ2  TRP  54           HZ2      TRP  54   0.483   5.432  -2.835
  396    HZ3  TRP  54           HZ3      TRP  54  -3.252   3.366  -3.197
  397    HH2  TRP  54           HH2      TRP  54  -1.960   5.317  -2.438
  398    H    GLU  55           H        GLU  55   3.069   0.041  -6.785
  399    HA   GLU  55           HA       GLU  55   4.013   2.677  -6.853
  400   1HB   GLU  55          2HB       GLU  55   5.152   0.034  -7.733
  401   2HB   GLU  55          1HB       GLU  55   6.112   1.512  -7.771
  402   1HG   GLU  55          2HG       GLU  55   4.656   1.116  -5.254
  403   2HG   GLU  55          1HG       GLU  55   5.859  -0.130  -5.581
  404    H    LEU  56           H        LEU  56   3.951   0.451  -9.659
  405    HA   LEU  56           HA       LEU  56   4.597   2.463 -11.588
  406   1HB   LEU  56          2HB       LEU  56   3.007  -0.113 -11.833
  407   2HB   LEU  56          1HB       LEU  56   3.719   0.768 -13.185
  408    HG   LEU  56           HG       LEU  56   5.589   0.160 -10.976
  409   1HD1  LEU  56          1HD1      LEU  56   4.880  -2.103 -12.815
  410   2HD1  LEU  56          2HD1      LEU  56   3.950  -1.865 -11.336
  411   3HD1  LEU  56          3HD1      LEU  56   5.687  -2.155 -11.248
  412   1HD2  LEU  56          1HD2      LEU  56   6.445  -0.821 -13.502
  413   2HD2  LEU  56          2HD2      LEU  56   6.967   0.663 -12.703
  414   3HD2  LEU  56          3HD2      LEU  56   5.597   0.691 -13.815
  415    H    SER  57           H        SER  57   1.716   1.730  -9.840
  416    HA   SER  57           HA       SER  57  -0.125   3.094 -11.700
  417   1HB   SER  57          2HB       SER  57  -1.030   1.258 -10.500
  418   2HB   SER  57          1HB       SER  57  -0.277   1.765  -8.992
  419    HG   SER  57           HG       SER  57  -2.097   3.460 -10.293
  420    H    ASP  58           H        ASP  58   1.604   3.688  -8.677
  421    HA   ASP  58           HA       ASP  58   0.342   6.197  -8.002
  422   1HB   ASP  58          2HB       ASP  58   2.221   4.365  -6.962
  423   2HB   ASP  58          1HB       ASP  58   3.072   5.903  -7.090
  424    H    ILE  59           H        ILE  59   0.407   7.507  -9.944
  425    HA   ILE  59           HA       ILE  59   2.868   7.938 -11.422
  426    HB   ILE  59           HB       ILE  59   0.239   9.444 -11.305
  427   1HG1  ILE  59          2HG1      ILE  59   0.156   6.988 -11.919
  428   2HG1  ILE  59          1HG1      ILE  59  -0.414   8.075 -13.185
  429   1HG2  ILE  59          1HG2      ILE  59   2.710   9.717 -12.939
  430   2HG2  ILE  59          2HG2      ILE  59   1.532  10.941 -12.466
  431   3HG2  ILE  59          3HG2      ILE  59   1.175   9.843 -13.800
  432   1HD1  ILE  59          1HD1      ILE  59   2.475   7.241 -13.112
  433   2HD1  ILE  59          2HD1      ILE  59   1.513   7.782 -14.487
  434   3HD1  ILE  59          3HD1      ILE  59   1.263   6.169 -13.816
  435    H    ASP  60           H        ASP  60   1.420   9.461  -8.613
  436    HA   ASP  60           HA       ASP  60   3.386  11.710  -8.837
  437   1HB   ASP  60          2HB       ASP  60   1.818  12.842  -7.290
  438   2HB   ASP  60          1HB       ASP  60   0.987  12.270  -8.738
  439    H    HIS  61           H        HIS  61   2.807   8.796  -7.161
  440    HA   HIS  61           HA       HIS  61   3.879   7.837  -5.280
  441   1HB   HIS  61          2HB       HIS  61   5.703  10.227  -5.735
  442   2HB   HIS  61          1HB       HIS  61   6.105   8.798  -4.789
  443    HD1  HIS  61           HD1      HIS  61   7.894   9.356  -7.150
  444    HD2  HIS  61           HD2      HIS  61   4.418   7.087  -7.487
  445    HE1  HIS  61           HE1      HIS  61   8.185   7.900  -9.203
  446    H    ASP  62           H        ASP  62   1.663   9.505  -4.723
  447    HA   ASP  62           HA       ASP  62   2.530  11.110  -2.351
  448   1HB   ASP  62          2HB       ASP  62   0.457  12.288  -2.673
  449   2HB   ASP  62          1HB       ASP  62   1.161  12.076  -4.278
  450    H    GLY  63           H        GLY  63   1.734   8.031  -2.909
  451   1HA   GLY  63          2HA       GLY  63   1.052   6.373  -1.360
  452   2HA   GLY  63          1HA       GLY  63   0.638   7.658  -0.224
  453    H    MET  64           H        MET  64  -0.593   7.798  -3.493
  454    HA   MET  64           HA       MET  64  -3.168   6.580  -2.725
  455   1HB   MET  64          2HB       MET  64  -3.382   9.345  -3.811
  456   2HB   MET  64          1HB       MET  64  -4.430   8.500  -2.676
  457   1HG   MET  64          2HG       MET  64  -2.543   8.722  -0.979
  458   2HG   MET  64          1HG       MET  64  -1.787   9.843  -2.112
  459   1HE   MET  64          1HE       MET  64  -4.529   8.745  -0.088
  460   2HE   MET  64          2HE       MET  64  -5.850   9.536  -0.945
  461   3HE   MET  64          3HE       MET  64  -5.300  10.181   0.599
  462    H    LEU  65           H        LEU  65  -4.645   6.426  -4.613
  463    HA   LEU  65           HA       LEU  65  -3.141   6.537  -7.208
  464   1HB   LEU  65          2HB       LEU  65  -5.136   4.627  -5.998
  465   2HB   LEU  65          1HB       LEU  65  -4.917   4.693  -7.745
  466    HG   LEU  65           HG       LEU  65  -2.825   4.039  -5.655
  467   1HD1  LEU  65          1HD1      LEU  65  -4.620   2.406  -6.878
  468   2HD1  LEU  65          2HD1      LEU  65  -3.010   1.880  -6.383
  469   3HD1  LEU  65          3HD1      LEU  65  -3.306   2.361  -8.053
  470   1HD2  LEU  65          1HD2      LEU  65  -2.563   4.702  -8.596
  471   2HD2  LEU  65          2HD2      LEU  65  -1.356   3.739  -7.744
  472   3HD2  LEU  65          3HD2      LEU  65  -1.673   5.400  -7.244
  473    H    ASP  66           H        ASP  66  -3.895   8.493  -8.081
  474    HA   ASP  66           HA       ASP  66  -6.595   9.461  -7.747
  475   1HB   ASP  66          2HB       ASP  66  -5.061  11.122  -8.238
  476   2HB   ASP  66          1HB       ASP  66  -4.163  10.107  -9.364
  477    H    ARG  67           H        ARG  67  -7.942   9.918  -9.791
  478    HA   ARG  67           HA       ARG  67  -9.009   7.563 -10.850
  479   1HB   ARG  67          2HB       ARG  67  -9.819   9.162 -12.691
  480   2HB   ARG  67          1HB       ARG  67 -10.204   9.605 -11.030
  481   1HG   ARG  67          2HG       ARG  67  -8.967  11.487 -11.149
  482   2HG   ARG  67          1HG       ARG  67  -7.598  10.624 -11.852
  483   1HD   ARG  67          2HD       ARG  67  -9.095  10.593 -14.026
  484   2HD   ARG  67          1HD       ARG  67  -9.900  11.967 -13.245
  485    HE   ARG  67           HE       ARG  67  -7.005  12.188 -13.128
  486   1HH1  ARG  67          1HH2      ARG  67  -7.618  11.776 -16.048
  487   2HH1  ARG  67          2HH2      ARG  67  -7.882  13.399 -16.589
  488   1HH2  ARG  67          2HH1      ARG  67  -8.288  14.678 -13.391
  489   2HH2  ARG  67          1HH1      ARG  67  -8.262  15.043 -15.084
  490    H    ASP  68           H        ASP  68  -6.244   9.410 -12.056
  491    HA   ASP  68           HA       ASP  68  -6.063   7.754 -14.496
  492   1HB   ASP  68          2HB       ASP  68  -5.104  10.291 -13.485
  493   2HB   ASP  68          1HB       ASP  68  -3.752   9.341 -14.106
  494    H    GLU  69           H        GLU  69  -4.568   8.028 -11.325
  495    HA   GLU  69           HA       GLU  69  -2.371   6.184 -11.938
  496   1HB   GLU  69          2HB       GLU  69  -3.527   7.143  -9.300
  497   2HB   GLU  69          1HB       GLU  69  -1.923   6.451  -9.547
  498   1HG   GLU  69          2HG       GLU  69  -1.482   8.346 -11.178
  499   2HG   GLU  69          1HG       GLU  69  -2.977   9.082 -10.600
  500    H    PHE  70           H        PHE  70  -5.516   6.058 -10.290
  501    HA   PHE  70           HA       PHE  70  -5.371   3.333  -9.404
  502   1HB   PHE  70          2HB       PHE  70  -6.981   5.279  -8.818
  503   2HB   PHE  70          1HB       PHE  70  -7.852   4.830 -10.285
  504    HD1  PHE  70           HD1      PHE  70  -6.903   3.781  -6.884
  505    HD2  PHE  70           HD2      PHE  70  -9.034   2.702 -10.455
  506    HE1  PHE  70           HE1      PHE  70  -8.041   1.955  -5.653
  507    HE2  PHE  70           HE2      PHE  70 -10.174   0.878  -9.222
  508    HZ   PHE  70           HZ       PHE  70  -9.674   0.506  -6.823
  509    H    ALA  71           H        ALA  71  -5.997   4.832 -12.499
  510    HA   ALA  71           HA       ALA  71  -7.341   2.600 -13.761
  511   1HB   ALA  71          1HB       ALA  71  -7.048   5.152 -14.368
  512   2HB   ALA  71          2HB       ALA  71  -7.171   3.966 -15.665
  513   3HB   ALA  71          3HB       ALA  71  -5.591   4.589 -15.187
  514    H    VAL  72           H        VAL  72  -3.979   3.774 -13.909
  515    HA   VAL  72           HA       VAL  72  -2.887   1.719 -15.512
  516    HB   VAL  72           HB       VAL  72  -1.729   3.380 -13.251
  517   1HG1  VAL  72          1HG1      VAL  72   0.466   2.900 -14.306
  518   2HG1  VAL  72          2HG1      VAL  72  -0.329   1.785 -15.418
  519   3HG1  VAL  72          3HG1      VAL  72  -0.300   1.437 -13.689
  520   1HG2  VAL  72          1HG2      VAL  72  -1.173   4.974 -14.887
  521   2HG2  VAL  72          2HG2      VAL  72  -2.766   4.425 -15.416
  522   3HG2  VAL  72          3HG2      VAL  72  -1.313   3.807 -16.203
  523    H    ALA  73           H        ALA  73  -3.782   1.719 -12.117
  524    HA   ALA  73           HA       ALA  73  -2.272  -0.751 -11.539
  525   1HB   ALA  73          1HB       ALA  73  -2.385   0.175  -9.494
  526   2HB   ALA  73          2HB       ALA  73  -4.141   0.016  -9.507
  527   3HB   ALA  73          3HB       ALA  73  -3.382   1.471 -10.153
  528    H    MET  74           H        MET  74  -5.277  -0.093 -12.969
  529    HA   MET  74           HA       MET  74  -6.680  -2.401 -11.755
  530   1HB   MET  74          2HB       MET  74  -7.381  -0.472 -13.995
  531   2HB   MET  74          1HB       MET  74  -8.490  -1.652 -13.292
  532   1HG   MET  74          2HG       MET  74  -7.139   0.048 -11.306
  533   2HG   MET  74          1HG       MET  74  -8.202   0.931 -12.402
  534   1HE   MET  74          1HE       MET  74  -8.995  -2.381  -9.469
  535   2HE   MET  74          2HE       MET  74  -8.460  -0.809  -8.875
  536   3HE   MET  74          3HE       MET  74  -7.492  -1.666 -10.072
  537    H    PHE  75           H        PHE  75  -5.341  -1.505 -14.950
  538    HA   PHE  75           HA       PHE  75  -5.969  -4.142 -16.056
  539   1HB   PHE  75          2HB       PHE  75  -5.180  -3.213 -18.053
  540   2HB   PHE  75          1HB       PHE  75  -5.673  -1.764 -17.179
  541    HD1  PHE  75           HD1      PHE  75  -2.827  -3.762 -18.367
  542    HD2  PHE  75           HD2      PHE  75  -4.021  -0.265 -16.185
  543    HE1  PHE  75           HE1      PHE  75  -0.509  -2.893 -18.496
  544    HE2  PHE  75           HE2      PHE  75  -1.709   0.602 -16.314
  545    HZ   PHE  75           HZ       PHE  75   0.052  -0.708 -17.468
  546    H    LEU  76           H        LEU  76  -3.414  -2.658 -14.262
  547    HA   LEU  76           HA       LEU  76  -1.312  -4.563 -14.926
  548   1HB   LEU  76          2HB       LEU  76  -1.830  -2.369 -12.950
  549   2HB   LEU  76          1HB       LEU  76  -0.491  -3.475 -12.648
  550    HG   LEU  76           HG       LEU  76  -0.912  -1.792 -15.132
  551   1HD1  LEU  76          1HD1      LEU  76   0.350  -0.279 -14.047
  552   2HD1  LEU  76          2HD1      LEU  76   1.640  -1.472 -13.905
  553   3HD1  LEU  76          3HD1      LEU  76   0.422  -1.335 -12.637
  554   1HD2  LEU  76          1HD2      LEU  76   0.900  -4.095 -14.502
  555   2HD2  LEU  76          2HD2      LEU  76   1.523  -2.783 -15.501
  556   3HD2  LEU  76          3HD2      LEU  76   0.100  -3.688 -16.020
  557    H    VAL  77           H        VAL  77  -4.008  -4.416 -12.734
  558    HA   VAL  77           HA       VAL  77  -3.043  -6.690 -11.098
  559    HB   VAL  77           HB       VAL  77  -5.467  -4.857 -11.099
  560   1HG1  VAL  77          1HG1      VAL  77  -5.678  -6.097  -8.731
  561   2HG1  VAL  77          2HG1      VAL  77  -4.931  -7.415  -9.633
  562   3HG1  VAL  77          3HG1      VAL  77  -6.465  -6.734 -10.175
  563   1HG2  VAL  77          1HG2      VAL  77  -4.475  -3.915  -9.152
  564   2HG2  VAL  77          2HG2      VAL  77  -3.142  -4.111 -10.288
  565   3HG2  VAL  77          3HG2      VAL  77  -3.353  -5.263  -8.969
  566    H    TYR  78           H        TYR  78  -5.629  -5.918 -13.421
  567    HA   TYR  78           HA       TYR  78  -6.867  -8.523 -13.298
  568   1HB   TYR  78          2HB       TYR  78  -7.066  -6.000 -14.812
  569   2HB   TYR  78          1HB       TYR  78  -7.600  -7.431 -15.697
  570    HD1  TYR  78           HD1      TYR  78  -8.920  -4.892 -13.905
  571    HD2  TYR  78           HD2      TYR  78  -8.744  -9.183 -13.765
  572    HE1  TYR  78           HE1      TYR  78 -11.008  -4.935 -12.569
  573    HE2  TYR  78           HE2      TYR  78 -10.833  -9.226 -12.429
  574    HH   TYR  78           HH       TYR  78 -12.754  -6.356 -11.929
  575    H    CYS  79           H        CYS  79  -4.125  -7.239 -15.029
  576    HA   CYS  79           HA       CYS  79  -4.141  -9.354 -17.065
  577   1HB   CYS  79          2HB       CYS  79  -2.397  -7.034 -16.263
  578   2HB   CYS  79          1HB       CYS  79  -1.777  -8.242 -17.389
  579    HG   CYS  79           HG       CYS  79  -3.532  -6.055 -18.232
  580    H    ALA  80           H        ALA  80  -2.897  -8.885 -13.851
  581    HA   ALA  80           HA       ALA  80  -0.794 -10.914 -14.059
  582   1HB   ALA  80          1HB       ALA  80  -0.233  -9.502 -12.355
  583   2HB   ALA  80          2HB       ALA  80  -1.318 -10.500 -11.389
  584   3HB   ALA  80          3HB       ALA  80  -1.906  -9.002 -12.110
  585    H    LEU  81           H        LEU  81  -4.172 -10.895 -13.686
  586    HA   LEU  81           HA       LEU  81  -4.301 -13.425 -12.170
  587   1HB   LEU  81          2HB       LEU  81  -6.235 -11.405 -13.281
  588   2HB   LEU  81          1HB       LEU  81  -6.803 -12.955 -12.655
  589    HG   LEU  81           HG       LEU  81  -4.906 -11.830 -10.814
  590   1HD1  LEU  81          1HD1      LEU  81  -5.528  -9.669 -10.574
  591   2HD1  LEU  81          2HD1      LEU  81  -7.239 -10.056 -10.763
  592   3HD1  LEU  81          3HD1      LEU  81  -6.223  -9.826 -12.186
  593   1HD2  LEU  81          1HD2      LEU  81  -7.626 -12.942 -10.913
  594   2HD2  LEU  81          2HD2      LEU  81  -7.396 -11.747  -9.636
  595   3HD2  LEU  81          3HD2      LEU  81  -6.359 -13.174  -9.708
  596    H    GLU  82           H        GLU  82  -5.045 -12.205 -15.433
  597    HA   GLU  82           HA       GLU  82  -5.239 -15.055 -16.339
  598   1HB   GLU  82          2HB       GLU  82  -7.413 -14.342 -16.559
  599   2HB   GLU  82          1HB       GLU  82  -6.951 -12.647 -16.677
  600   1HG   GLU  82          2HG       GLU  82  -6.479 -12.801 -18.975
  601   2HG   GLU  82          1HG       GLU  82  -6.320 -14.558 -18.919
  602    H    LYS  83           H        LYS  83  -3.543 -12.096 -16.748
  603    HA   LYS  83           HA       LYS  83  -2.746 -12.899 -19.527
  604   1HB   LYS  83          2HB       LYS  83  -2.933 -10.323 -18.026
  605   2HB   LYS  83          1HB       LYS  83  -1.821 -10.444 -19.382
  606   1HG   LYS  83          2HG       LYS  83  -4.167 -11.638 -20.314
  607   2HG   LYS  83          1HG       LYS  83  -4.725 -10.235 -19.403
  608   1HD   LYS  83          2HD       LYS  83  -4.246  -9.048 -21.273
  609   2HD   LYS  83          1HD       LYS  83  -2.560  -9.222 -20.783
  610   1HE   LYS  83          2HE       LYS  83  -2.762 -11.553 -22.036
  611   2HE   LYS  83          1HE       LYS  83  -4.078 -10.722 -22.891
  612   1HZ   LYS  83          1HZ       LYS  83  -1.227  -9.990 -22.726
  613   2HZ   LYS  83          2HZ       LYS  83  -2.397  -8.787 -22.994
  614   3HZ   LYS  83          3HZ       LYS  83  -2.230 -10.072 -24.092
  615    H    GLU  84           H        GLU  84  -0.853 -10.751 -17.499
  616    HA   GLU  84           HA       GLU  84   1.198 -12.875 -17.068
  617   1HB   GLU  84          2HB       GLU  84   1.211 -10.721 -19.045
  618   2HB   GLU  84          1HB       GLU  84   2.630 -10.674 -17.999
  619   1HG   GLU  84          2HG       GLU  84   3.122 -13.014 -18.501
  620   2HG   GLU  84          1HG       GLU  84   1.659 -13.135 -19.479
  621    HA   PRO  85           HA       PRO  85   2.185 -10.730 -13.385
  622   1HB   PRO  85          2HB       PRO  85   4.921 -10.544 -13.413
  623   2HB   PRO  85          1HB       PRO  85   4.054 -12.066 -13.121
  624   1HG   PRO  85          2HG       PRO  85   5.297 -11.054 -15.638
  625   2HG   PRO  85          1HG       PRO  85   5.329 -12.683 -14.943
  626   1HD   PRO  85          2HD       PRO  85   3.680 -12.019 -16.975
  627   2HD   PRO  85          1HD       PRO  85   3.221 -13.206 -15.731
  628    H    VAL  86           H        VAL  86   3.974  -8.818 -12.669
  629    HA   VAL  86           HA       VAL  86   3.606  -6.613 -14.674
  630    HB   VAL  86           HB       VAL  86   3.277  -6.615 -11.655
  631   1HG1  VAL  86          1HG1      VAL  86   3.370  -4.366 -11.707
  632   2HG1  VAL  86          2HG1      VAL  86   2.246  -4.298 -13.064
  633   3HG1  VAL  86          3HG1      VAL  86   3.973  -4.491 -13.359
  634   1HG2  VAL  86          1HG2      VAL  86   1.496  -7.263 -13.799
  635   2HG2  VAL  86          2HG2      VAL  86   0.969  -5.736 -13.090
  636   3HG2  VAL  86          3HG2      VAL  86   1.137  -7.168 -12.074
  637    HA   PRO  87           HA       PRO  87   7.923  -6.068 -13.777
  638   1HB   PRO  87          2HB       PRO  87   8.330  -3.945 -15.453
  639   2HB   PRO  87          1HB       PRO  87   8.161  -5.609 -16.043
  640   1HG   PRO  87          2HG       PRO  87   6.265  -3.368 -16.181
  641   2HG   PRO  87          1HG       PRO  87   6.400  -4.801 -17.206
  642   1HD   PRO  87          2HD       PRO  87   4.539  -4.348 -15.121
  643   2HD   PRO  87          1HD       PRO  87   4.780  -5.850 -16.037
  644    H    MET  88           H        MET  88   9.294  -3.971 -13.119
  645    HA   MET  88           HA       MET  88   7.534  -2.357 -11.305
  646   1HB   MET  88          2HB       MET  88  10.526  -2.756 -11.252
  647   2HB   MET  88          1HB       MET  88   9.517  -2.104  -9.964
  648   1HG   MET  88          2HG       MET  88   8.758  -4.175  -9.322
  649   2HG   MET  88          1HG       MET  88   8.799  -4.812 -10.966
  650   1HE   MET  88          1HE       MET  88  11.952  -4.903 -12.064
  651   2HE   MET  88          2HE       MET  88  10.346  -5.623 -12.136
  652   3HE   MET  88          3HE       MET  88  11.704  -6.573 -11.535
  653    H    SER  89           H        SER  89   8.472  -1.910 -14.294
  654    HA   SER  89           HA       SER  89   9.728   0.757 -13.795
  655   1HB   SER  89          2HB       SER  89   9.739  -1.104 -16.167
  656   2HB   SER  89          1HB       SER  89  10.479   0.493 -16.161
  657    HG   SER  89           HG       SER  89  11.906  -0.178 -14.622
  658    H    LEU  90           H        LEU  90   7.976   2.086 -13.615
  659    HA   LEU  90           HA       LEU  90   5.534   2.115 -14.976
  660   1HB   LEU  90          2HB       LEU  90   7.061   3.798 -13.347
  661   2HB   LEU  90          1HB       LEU  90   6.785   4.751 -14.805
  662    HG   LEU  90           HG       LEU  90   4.662   3.373 -13.154
  663   1HD1  LEU  90          1HD1      LEU  90   3.928   5.660 -12.632
  664   2HD1  LEU  90          2HD1      LEU  90   5.240   6.314 -13.611
  665   3HD1  LEU  90          3HD1      LEU  90   5.603   5.429 -12.129
  666   1HD2  LEU  90          1HD2      LEU  90   3.763   5.318 -15.121
  667   2HD2  LEU  90          2HD2      LEU  90   3.237   3.651 -14.881
  668   3HD2  LEU  90          3HD2      LEU  90   4.647   3.995 -15.883
  669    HA   PRO  91           HA       PRO  91   7.366   2.468 -19.099
  670   1HB   PRO  91          2HB       PRO  91   5.099   1.678 -20.417
  671   2HB   PRO  91          1HB       PRO  91   6.247   0.534 -19.695
  672   1HG   PRO  91          2HG       PRO  91   3.634   1.500 -18.658
  673   2HG   PRO  91          1HG       PRO  91   4.352  -0.115 -18.574
  674   1HD   PRO  91          2HD       PRO  91   4.330   1.638 -16.484
  675   2HD   PRO  91          1HD       PRO  91   5.574   0.388 -16.704
  676    HA   PRO  92           HA       PRO  92   5.794   6.482 -19.984
  677   1HB   PRO  92          2HB       PRO  92   6.588   6.700 -22.597
  678   2HB   PRO  92          1HB       PRO  92   7.715   6.809 -21.229
  679   1HG   PRO  92          2HG       PRO  92   7.144   4.505 -23.029
  680   2HG   PRO  92          1HG       PRO  92   8.689   5.070 -22.373
  681   1HD   PRO  92          2HD       PRO  92   7.340   2.945 -21.355
  682   2HD   PRO  92          1HD       PRO  92   8.387   3.991 -20.370
  683    H    ALA  93           H        ALA  93   4.742   3.646 -21.636
  684    HA   ALA  93           HA       ALA  93   2.706   4.996 -23.280
  685   1HB   ALA  93          1HB       ALA  93   2.359   2.146 -22.890
  686   2HB   ALA  93          2HB       ALA  93   4.058   2.513 -23.192
  687   3HB   ALA  93          3HB       ALA  93   2.827   3.007 -24.355
  688    H    LEU  94           H        LEU  94   3.013   4.263 -20.030
  689    HA   LEU  94           HA       LEU  94   0.104   3.703 -19.660
  690   1HB   LEU  94          2HB       LEU  94   2.641   3.289 -18.095
  691   2HB   LEU  94          1HB       LEU  94   1.091   3.299 -17.254
  692    HG   LEU  94           HG       LEU  94   1.885   1.013 -18.023
  693   1HD1  LEU  94          1HD1      LEU  94  -0.402   0.485 -19.073
  694   2HD1  LEU  94          2HD1      LEU  94  -0.743   2.208 -18.910
  695   3HD1  LEU  94          3HD1      LEU  94  -0.412   1.236 -17.479
  696   1HD2  LEU  94          1HD2      LEU  94   1.766   0.475 -20.363
  697   2HD2  LEU  94          2HD2      LEU  94   2.747   1.935 -20.236
  698   3HD2  LEU  94          3HD2      LEU  94   1.067   2.046 -20.749
  699    H    VAL  95           H        VAL  95   2.358   6.237 -19.571
  700    HA   VAL  95           HA       VAL  95   1.336   7.744 -17.311
  701    HB   VAL  95           HB       VAL  95   3.029   8.319 -19.747
  702   1HG1  VAL  95          1HG1      VAL  95   3.433  10.405 -17.950
  703   2HG1  VAL  95          2HG1      VAL  95   1.681  10.203 -17.962
  704   3HG1  VAL  95          3HG1      VAL  95   2.544  10.511 -19.469
  705   1HG2  VAL  95          1HG2      VAL  95   3.445   7.576 -16.907
  706   2HG2  VAL  95          2HG2      VAL  95   4.536   8.811 -17.535
  707   3HG2  VAL  95          3HG2      VAL  95   4.447   7.234 -18.317
  708    HA   PRO  96           HA       PRO  96  -2.305   9.204 -19.411
  709   1HB   PRO  96          2HB       PRO  96  -3.079  10.987 -17.479
  710   2HB   PRO  96          1HB       PRO  96  -3.330   9.236 -17.335
  711   1HG   PRO  96          2HG       PRO  96  -1.225  10.955 -16.118
  712   2HG   PRO  96          1HG       PRO  96  -2.101   9.581 -15.426
  713   1HD   PRO  96          2HD       PRO  96   0.443   9.404 -16.382
  714   2HD   PRO  96          1HD       PRO  96  -0.694   8.037 -16.367
  715    HA   PRO  97           HA       PRO  97  -1.155  13.033 -21.224
  716   1HB   PRO  97          2HB       PRO  97  -3.464  14.503 -21.272
  717   2HB   PRO  97          1HB       PRO  97  -3.188  13.096 -22.320
  718   1HG   PRO  97          2HG       PRO  97  -4.760  13.300 -19.801
  719   2HG   PRO  97          1HG       PRO  97  -5.105  12.387 -21.279
  720   1HD   PRO  97          2HD       PRO  97  -4.102  11.254 -19.010
  721   2HD   PRO  97          1HD       PRO  97  -3.813  10.610 -20.641
  722    H    SER  98           H        SER  98  -2.626  13.191 -18.057
  723    HA   SER  98           HA       SER  98  -2.219  15.990 -17.539
  724   1HB   SER  98          2HB       SER  98  -3.648  14.916 -16.040
  725   2HB   SER  98          1HB       SER  98  -2.645  13.469 -15.971
  726    HG   SER  98           HG       SER  98  -1.924  16.006 -14.913
  727    H    LYS  99           H        LYS  99  -0.034  13.355 -17.833
  728    HA   LYS  99           HA       LYS  99   2.080  14.733 -16.253
  729   1HB   LYS  99          2HB       LYS  99   1.331  12.067 -16.742
  730   2HB   LYS  99          1HB       LYS  99   2.831  12.290 -17.644
  731   1HG   LYS  99          2HG       LYS  99   3.307  13.588 -15.223
  732   2HG   LYS  99          1HG       LYS  99   2.422  12.132 -14.761
  733   1HD   LYS  99          2HD       LYS  99   4.040  10.704 -15.672
  734   2HD   LYS  99          1HD       LYS  99   4.688  11.957 -16.732
  735   1HE   LYS  99          2HE       LYS  99   5.031  13.005 -14.159
  736   2HE   LYS  99          1HE       LYS  99   5.469  11.292 -14.005
  737   1HZ   LYS  99          1HZ       LYS  99   6.636  11.699 -16.259
  738   2HZ   LYS  99          2HZ       LYS  99   7.406  12.203 -14.831
  739   3HZ   LYS  99          3HZ       LYS  99   6.595  13.333 -15.808
  740    H    ARG 100           H        ARG 100   0.842  15.151 -19.215
  741    HA   ARG 100           HA       ARG 100   3.001  14.864 -21.058
  742   1HB   ARG 100          2HB       ARG 100   0.655  16.771 -20.837
  743   2HB   ARG 100          1HB       ARG 100   1.688  16.682 -22.266
  744   1HG   ARG 100          2HG       ARG 100   0.342  14.237 -21.107
  745   2HG   ARG 100          1HG       ARG 100  -0.441  15.254 -22.318
  746   1HD   ARG 100          2HD       ARG 100   0.726  14.203 -23.947
  747   2HD   ARG 100          1HD       ARG 100   2.247  14.714 -23.186
  748    HE   ARG 100           HE       ARG 100   1.723  12.691 -21.576
  749   1HH1  ARG 100          1HH2      ARG 100  -0.445  12.201 -23.881
  750   2HH1  ARG 100          2HH2      ARG 100   0.287  10.819 -24.627
  751   1HH2  ARG 100          2HH1      ARG 100   3.320  11.213 -22.991
  752   2HH2  ARG 100          1HH1      ARG 100   2.419  10.261 -24.124
  753    H    SER 107           1H       SER 107   7.798   6.833   4.075
  754    HA   SER 107           HA       SER 107   8.709   4.291   2.823
  755   1HB   SER 107          2HB       SER 107   6.612   3.794   4.516
  756   2HB   SER 107          1HB       SER 107   8.306   3.655   4.977
  757    HG   SER 107           HG       SER 107   6.618   5.923   5.263
  758    H    THR 108           H        THR 108   6.710   3.108   1.976
  759    HA   THR 108           HA       THR 108   4.297   4.572   1.350
  760    HB   THR 108           HB       THR 108   5.806   5.850  -0.049
  761    HG1  THR 108           HG1      THR 108   3.826   5.256  -1.003
  762   1HG2  THR 108          1HG2      THR 108   7.739   4.780  -0.553
  763   2HG2  THR 108          2HG2      THR 108   6.854   4.159  -1.948
  764   3HG2  THR 108          3HG2      THR 108   6.982   3.190  -0.480
  765    H    ASN 109           H        ASN 109   3.524   3.341  -0.996
  766    HA   ASN 109           HA       ASN 109   2.558   1.288  -1.679
  767   1HB   ASN 109          2HB       ASN 109   5.073   1.316  -2.292
  768   2HB   ASN 109          1HB       ASN 109   5.280   0.197  -0.944
  769   1HD2  ASN 109          1HD2      ASN 109   2.565   0.394  -3.291
  770   2HD2  ASN 109          2HD2      ASN 109   2.767  -1.177  -3.893
  771    HA   PRO 110           HA       PRO 110   1.783  -0.139   2.602
  772   1HB   PRO 110          2HB       PRO 110  -0.935  -0.259   2.310
  773   2HB   PRO 110          1HB       PRO 110  -0.067   1.229   2.734
  774   1HG   PRO 110          2HG       PRO 110  -1.183   0.368   0.123
  775   2HG   PRO 110          1HG       PRO 110  -1.097   1.980   0.848
  776   1HD   PRO 110          2HD       PRO 110   0.600   1.079  -1.110
  777   2HD   PRO 110          1HD       PRO 110   0.987   2.378   0.034
  778    H    PHE 111           H        PHE 111   2.171  -1.756  -0.113
  779    HA   PHE 111           HA       PHE 111   0.461  -4.109   0.551
  780   1HB   PHE 111          2HB       PHE 111   2.326  -3.638  -1.801
  781   2HB   PHE 111          1HB       PHE 111   1.063  -4.861  -1.682
  782    HD1  PHE 111           HD1      PHE 111   1.660  -1.182  -1.788
  783    HD2  PHE 111           HD2      PHE 111  -1.204  -4.357  -2.285
  784    HE1  PHE 111           HE1      PHE 111   0.022   0.432  -2.708
  785    HE2  PHE 111           HE2      PHE 111  -2.833  -2.734  -3.187
  786    HZ   PHE 111           HZ       PHE 111  -2.224  -0.341  -3.399
  787    H    ARG 112           HN       ARG 112   3.831  -3.520  -0.459
  788    HA   ARG 112           HA       ARG 112   4.909  -5.956   0.519
  789   1HB   ARG 112          2HB       ARG 112   5.823  -3.307  -0.400
  790   2HB   ARG 112          1HB       ARG 112   6.958  -4.127   0.676
  791   1HG   ARG 112          2HG       ARG 112   6.772  -6.166  -0.767
  792   2HG   ARG 112          1HG       ARG 112   5.770  -5.238  -1.884
  793   1HD   ARG 112          2HD       ARG 112   8.534  -4.304  -1.062
  794   2HD   ARG 112          1HD       ARG 112   8.259  -5.340  -2.477
  795    HE   ARG 112           HE       ARG 112   6.387  -3.230  -2.639
  796   1HH1  ARG 112          1HH2      ARG 112   9.585  -2.790  -1.771
  797   2HH1  ARG 112          2HH2      ARG 112  10.016  -1.828  -3.146
  798   1HH2  ARG 112          1HH1      ARG 112   7.024  -2.385  -4.809
  799   2HH2  ARG 112          2HH1      ARG 112   8.565  -1.598  -4.865
  Start of MODEL    2
    1    HA   PRO   6           HA       PRO   6  -1.941   5.500 -27.425
    2   1HB   PRO   6          2HB       PRO   6  -3.853   3.609 -26.927
    3   2HB   PRO   6          1HB       PRO   6  -3.613   4.338 -28.527
    4   1HG   PRO   6          2HG       PRO   6  -2.732   1.689 -27.504
    5   2HG   PRO   6          1HG       PRO   6  -3.324   2.140 -29.110
    6   1HD   PRO   6          2HD       PRO   6  -0.680   1.760 -28.503
    7   2HD   PRO   6          1HD       PRO   6  -1.258   2.800 -29.823
    8    H    TRP   7           H        TRP   7  -3.438   4.954 -25.273
    9    HA   TRP   7           HA       TRP   7  -1.487   4.510 -23.130
   10   1HB   TRP   7          2HB       TRP   7  -3.260   6.243 -23.087
   11   2HB   TRP   7          1HB       TRP   7  -4.491   4.980 -23.138
   12    HD1  TRP   7           HD1      TRP   7  -1.411   4.303 -21.087
   13    HE1  TRP   7           HE1      TRP   7  -2.016   4.353 -18.584
   14    HE3  TRP   7           HE3      TRP   7  -6.164   6.147 -21.367
   15    HZ2  TRP   7           HZ2      TRP   7  -4.225   5.083 -16.916
   16    HZ3  TRP   7           HZ3      TRP   7  -7.495   6.510 -19.308
   17    HH2  TRP   7           HH2      TRP   7  -6.533   5.981 -17.086
   18    H    ALA   8           H        ALA   8  -1.110   2.540 -22.213
   19    HA   ALA   8           HA       ALA   8  -2.042   0.066 -22.994
   20   1HB   ALA   8          1HB       ALA   8  -0.262   0.772 -21.279
   21   2HB   ALA   8          2HB       ALA   8  -1.161  -0.699 -20.910
   22   3HB   ALA   8          3HB       ALA   8  -1.574   0.814 -20.101
   23    H    VAL   9           H        VAL   9  -3.726   2.394 -20.966
   24    HA   VAL   9           HA       VAL   9  -5.858   0.420 -20.335
   25    HB   VAL   9           HB       VAL   9  -5.181   3.238 -19.478
   26   1HG1  VAL   9          1HG1      VAL   9  -7.674   2.873 -19.696
   27   2HG1  VAL   9          2HG1      VAL   9  -7.128   3.234 -18.058
   28   3HG1  VAL   9          3HG1      VAL   9  -7.520   1.576 -18.511
   29   1HG2  VAL   9          1HG2      VAL   9  -4.537   0.602 -18.554
   30   2HG2  VAL   9          2HG2      VAL   9  -5.556   1.382 -17.344
   31   3HG2  VAL   9          3HG2      VAL   9  -4.055   2.150 -17.859
   32    H    LYS  10           H        LYS  10  -7.976   0.661 -21.114
   33    HA   LYS  10           HA       LYS  10  -8.325   2.637 -23.342
   34   1HB   LYS  10          2HB       LYS  10  -8.781  -0.209 -22.967
   35   2HB   LYS  10          1HB       LYS  10 -10.261   0.599 -23.480
   36   1HG   LYS  10          2HG       LYS  10  -8.811   1.749 -25.269
   37   2HG   LYS  10          1HG       LYS  10  -7.581   0.547 -24.874
   38   1HD   LYS  10          2HD       LYS  10  -9.428  -1.210 -25.244
   39   2HD   LYS  10          1HD       LYS  10 -10.340   0.090 -26.011
   40   1HE   LYS  10          2HE       LYS  10  -7.674   0.170 -27.053
   41   2HE   LYS  10          1HE       LYS  10  -8.271  -1.498 -27.176
   42   1HZ   LYS  10          1HZ       LYS  10 -10.000  -0.892 -28.490
   43   2HZ   LYS  10          2HZ       LYS  10  -8.932   0.353 -28.934
   44   3HZ   LYS  10          3HZ       LYS  10 -10.155   0.644 -27.791
   45    HA   PRO  11           HA       PRO  11 -11.861   4.398 -21.421
   46   1HB   PRO  11          2HB       PRO  11 -13.960   4.012 -23.146
   47   2HB   PRO  11          1HB       PRO  11 -12.658   5.183 -23.447
   48   1HG   PRO  11          2HG       PRO  11 -13.013   2.424 -24.529
   49   2HG   PRO  11          1HG       PRO  11 -12.482   3.899 -25.356
   50   1HD   PRO  11          2HD       PRO  11 -10.744   2.006 -24.554
   51   2HD   PRO  11          1HD       PRO  11 -10.323   3.732 -24.559
   52    H    GLU  12           H        GLU  12 -12.492   1.145 -22.691
   53    HA   GLU  12           HA       GLU  12 -14.749   0.587 -20.968
   54   1HB   GLU  12          2HB       GLU  12 -14.243  -1.766 -21.726
   55   2HB   GLU  12          1HB       GLU  12 -14.354  -0.613 -23.055
   56   1HG   GLU  12          2HG       GLU  12 -12.015  -0.541 -23.351
   57   2HG   GLU  12          1HG       GLU  12 -11.704  -1.222 -21.754
   58    H    ASP  13           H        ASP  13 -11.257   0.264 -20.642
   59    HA   ASP  13           HA       ASP  13 -11.457  -1.308 -18.163
   60   1HB   ASP  13          2HB       ASP  13  -9.340  -0.154 -19.947
   61   2HB   ASP  13          1HB       ASP  13  -8.891  -0.556 -18.288
   62    H    LYS  14           H        LYS  14 -10.798   2.018 -19.174
   63    HA   LYS  14           HA       LYS  14 -10.210   3.037 -16.536
   64   1HB   LYS  14          2HB       LYS  14  -9.521   4.184 -18.570
   65   2HB   LYS  14          1HB       LYS  14 -11.193   4.288 -19.117
   66   1HG   LYS  14          2HG       LYS  14 -11.094   6.367 -18.184
   67   2HG   LYS  14          1HG       LYS  14 -11.408   5.486 -16.691
   68   1HD   LYS  14          2HD       LYS  14  -8.984   5.320 -16.269
   69   2HD   LYS  14          1HD       LYS  14  -8.664   6.203 -17.763
   70   1HE   LYS  14          2HE       LYS  14 -10.586   7.612 -16.063
   71   2HE   LYS  14          1HE       LYS  14  -9.022   7.368 -15.257
   72   1HZ   LYS  14          1HZ       LYS  14  -9.356   9.344 -16.924
   73   2HZ   LYS  14          2HZ       LYS  14  -9.046   8.144 -18.086
   74   3HZ   LYS  14          3HZ       LYS  14  -7.894   8.484 -16.886
   75    H    ALA  15           H        ALA  15 -13.082   2.103 -18.185
   76    HA   ALA  15           HA       ALA  15 -14.927   3.799 -16.670
   77   1HB   ALA  15          1HB       ALA  15 -16.207   1.508 -17.764
   78   2HB   ALA  15          2HB       ALA  15 -14.928   1.951 -18.894
   79   3HB   ALA  15          3HB       ALA  15 -16.162   3.131 -18.452
   80    H    LYS  16           H        LYS  16 -13.755   0.443 -16.536
   81    HA   LYS  16           HA       LYS  16 -15.392  -0.182 -14.187
   82   1HB   LYS  16          2HB       LYS  16 -14.580  -2.348 -14.533
   83   2HB   LYS  16          1HB       LYS  16 -14.498  -1.672 -16.157
   84   1HG   LYS  16          2HG       LYS  16 -12.107  -0.958 -15.507
   85   2HG   LYS  16          1HG       LYS  16 -12.266  -2.130 -14.203
   86   1HD   LYS  16          2HD       LYS  16 -12.705  -2.742 -17.142
   87   2HD   LYS  16          1HD       LYS  16 -11.233  -3.125 -16.250
   88   1HE   LYS  16          2HE       LYS  16 -14.018  -4.229 -15.752
   89   2HE   LYS  16          1HE       LYS  16 -12.564  -5.132 -16.223
   90   1HZ   LYS  16          1HZ       LYS  16 -12.440  -5.392 -13.977
   91   2HZ   LYS  16          2HZ       LYS  16 -13.254  -3.939 -13.640
   92   3HZ   LYS  16          3HZ       LYS  16 -11.619  -3.912 -14.104
   93    H    TYR  17           H        TYR  17 -12.270   1.123 -14.906
   94    HA   TYR  17           HA       TYR  17 -11.057   0.605 -12.296
   95   1HB   TYR  17          2HB       TYR  17 -10.453   2.523 -14.577
   96   2HB   TYR  17          1HB       TYR  17  -9.391   2.267 -13.195
   97    HD1  TYR  17           HD1      TYR  17 -10.994  -0.785 -13.799
   98    HD2  TYR  17           HD2      TYR  17  -7.921   1.750 -15.400
   99    HE1  TYR  17           HE1      TYR  17  -9.980  -2.735 -14.941
  100    HE2  TYR  17           HE2      TYR  17  -6.899  -0.200 -16.541
  101    HH   TYR  17           HH       TYR  17  -8.031  -2.625 -17.387
  102    H    ASP  18           H        ASP  18 -12.870   3.203 -13.868
  103    HA   ASP  18           HA       ASP  18 -12.490   5.149 -11.734
  104   1HB   ASP  18          2HB       ASP  18 -13.982   4.824 -14.275
  105   2HB   ASP  18          1HB       ASP  18 -14.732   5.912 -13.106
  106    H    ALA  19           H        ALA  19 -14.610   2.431 -12.190
  107    HA   ALA  19           HA       ALA  19 -16.651   3.405 -10.300
  108   1HB   ALA  19          1HB       ALA  19 -17.341   1.971 -12.118
  109   2HB   ALA  19          2HB       ALA  19 -17.450   0.996 -10.653
  110   3HB   ALA  19          3HB       ALA  19 -16.081   0.795 -11.746
  111    H    ILE  20           H        ILE  20 -13.827   1.291 -10.349
  112    HA   ILE  20           HA       ILE  20 -14.204   0.298  -7.633
  113    HB   ILE  20           HB       ILE  20 -11.967   0.311  -9.684
  114   1HG1  ILE  20          2HG1      ILE  20 -13.354  -2.133  -8.646
  115   2HG1  ILE  20          1HG1      ILE  20 -14.215  -1.107  -9.794
  116   1HG2  ILE  20          1HG2      ILE  20 -11.902  -1.497  -7.313
  117   2HG2  ILE  20          2HG2      ILE  20 -11.410   0.179  -7.077
  118   3HG2  ILE  20          3HG2      ILE  20 -10.570  -0.830  -8.254
  119   1HD1  ILE  20          1HD1      ILE  20 -11.629  -2.604 -10.181
  120   2HD1  ILE  20          2HD1      ILE  20 -12.023  -1.213 -11.191
  121   3HD1  ILE  20          3HD1      ILE  20 -13.077  -2.627 -11.187
  122    H    PHE  21           H        PHE  21 -12.560   2.905  -9.302
  123    HA   PHE  21           HA       PHE  21 -10.933   3.796  -7.089
  124   1HB   PHE  21          2HB       PHE  21 -10.134   4.551  -9.117
  125   2HB   PHE  21          1HB       PHE  21 -11.745   4.662  -9.818
  126    HD1  PHE  21           HD1      PHE  21  -9.086   6.439  -8.093
  127    HD2  PHE  21           HD2      PHE  21 -13.225   6.607  -9.230
  128    HE1  PHE  21           HE1      PHE  21  -9.099   8.886  -7.684
  129    HE2  PHE  21           HE2      PHE  21 -13.238   9.053  -8.820
  130    HZ   PHE  21           HZ       PHE  21 -11.175  10.191  -8.048
  131    H    ASP  22           H        ASP  22 -14.119   4.637  -8.358
  132    HA   ASP  22           HA       ASP  22 -14.561   6.673  -6.262
  133   1HB   ASP  22          2HB       ASP  22 -15.300   7.140  -8.506
  134   2HB   ASP  22          1HB       ASP  22 -16.145   5.592  -8.609
  135    H    SER  23           H        SER  23 -14.864   3.328  -6.562
  136    HA   SER  23           HA       SER  23 -17.347   2.975  -5.050
  137   1HB   SER  23          2HB       SER  23 -16.826   1.187  -6.473
  138   2HB   SER  23          1HB       SER  23 -15.101   1.293  -6.132
  139    HG   SER  23           HG       SER  23 -16.796  -0.350  -5.058
  140    H    LEU  24           H        LEU  24 -14.215   3.934  -4.313
  141    HA   LEU  24           HA       LEU  24 -14.233   2.812  -1.555
  142   1HB   LEU  24          2HB       LEU  24 -12.124   4.484  -2.939
  143   2HB   LEU  24          1HB       LEU  24 -11.898   3.354  -1.605
  144    HG   LEU  24           HG       LEU  24 -12.881   2.457  -4.316
  145   1HD1  LEU  24          1HD1      LEU  24 -10.150   1.749  -3.898
  146   2HD1  LEU  24          2HD1      LEU  24 -10.295   3.491  -3.662
  147   3HD1  LEU  24          3HD1      LEU  24 -10.826   2.758  -5.177
  148   1HD2  LEU  24          1HD2      LEU  24 -11.205   0.759  -2.571
  149   2HD2  LEU  24          2HD2      LEU  24 -12.670   0.347  -3.464
  150   3HD2  LEU  24          3HD2      LEU  24 -12.786   1.169  -1.907
  151    H    SER  25           H        SER  25 -13.618   5.836  -3.277
  152    HA   SER  25           HA       SER  25 -15.170   7.800  -2.436
  153   1HB   SER  25          2HB       SER  25 -13.711   6.784  -0.002
  154   2HB   SER  25          1HB       SER  25 -14.170   8.479  -0.103
  155    HG   SER  25           HG       SER  25 -15.682   6.534   0.666
  156    HA   PRO  26           HA       PRO  26 -11.209   9.264  -4.054
  157   1HB   PRO  26          2HB       PRO  26 -12.310  11.107  -5.740
  158   2HB   PRO  26          1HB       PRO  26 -12.170   9.386  -6.149
  159   1HG   PRO  26          2HG       PRO  26 -14.531  10.914  -5.201
  160   2HG   PRO  26          1HG       PRO  26 -14.437   9.606  -6.390
  161   1HD   PRO  26          2HD       PRO  26 -15.284   9.271  -3.802
  162   2HD   PRO  26          1HD       PRO  26 -14.573   7.975  -4.789
  163    H    VAL  27           H        VAL  27 -10.079  11.163  -3.552
  164    HA   VAL  27           HA       VAL  27 -11.571  13.196  -1.926
  165    HB   VAL  27           HB       VAL  27  -8.722  12.166  -1.695
  166   1HG1  VAL  27          1HG1      VAL  27  -8.586  13.509   0.314
  167   2HG1  VAL  27          2HG1      VAL  27 -10.283  13.971   0.174
  168   3HG1  VAL  27          3HG1      VAL  27  -9.108  14.559  -1.002
  169   1HG2  VAL  27          1HG2      VAL  27 -11.285  11.570  -0.214
  170   2HG2  VAL  27          2HG2      VAL  27  -9.714  11.327   0.548
  171   3HG2  VAL  27          3HG2      VAL  27 -10.133  10.433  -0.913
  172    H    ASN  28           H        ASN  28 -11.842  14.753  -3.561
  173    HA   ASN  28           HA       ASN  28 -11.196  16.509  -4.998
  174   1HB   ASN  28          2HB       ASN  28  -9.787  16.981  -2.984
  175   2HB   ASN  28          1HB       ASN  28  -8.506  15.991  -3.686
  176   1HD2  ASN  28          1HD2      ASN  28  -7.512  16.775  -5.724
  177   2HD2  ASN  28          2HD2      ASN  28  -7.589  18.422  -6.128
  178    H    GLY  29           H        GLY  29 -10.588  13.445  -5.521
  179   1HA   GLY  29          2HA       GLY  29 -10.229  12.674  -7.824
  180   2HA   GLY  29          1HA       GLY  29  -9.056  13.975  -8.026
  181    H    PHE  30           H        PHE  30  -9.191  11.897  -5.171
  182    HA   PHE  30           HA       PHE  30  -6.823  10.375  -6.141
  183   1HB   PHE  30          2HB       PHE  30  -6.920  12.197  -3.724
  184   2HB   PHE  30          1HB       PHE  30  -5.619  11.039  -4.024
  185    HD1  PHE  30           HD1      PHE  30  -6.911  14.303  -4.755
  186    HD2  PHE  30           HD2      PHE  30  -4.391  11.178  -6.269
  187    HE1  PHE  30           HE1      PHE  30  -5.847  15.917  -6.295
  188    HE2  PHE  30           HE2      PHE  30  -3.315  12.798  -7.816
  189    HZ   PHE  30           HZ       PHE  30  -4.043  15.169  -7.829
  190    H    LEU  31           H        LEU  31  -6.410   8.472  -4.973
  191    HA   LEU  31           HA       LEU  31  -8.490   7.673  -2.954
  192   1HB   LEU  31          2HB       LEU  31  -7.228   6.278  -5.300
  193   2HB   LEU  31          1HB       LEU  31  -7.686   5.309  -3.903
  194    HG   LEU  31           HG       LEU  31  -9.464   6.944  -5.710
  195   1HD1  LEU  31          1HD1      LEU  31 -10.693   4.611  -5.303
  196   2HD1  LEU  31          2HD1      LEU  31  -9.049   4.094  -4.922
  197   3HD1  LEU  31          3HD1      LEU  31  -9.420   4.780  -6.509
  198   1HD2  LEU  31          1HD2      LEU  31 -11.286   6.227  -4.034
  199   2HD2  LEU  31          2HD2      LEU  31 -10.259   7.579  -3.549
  200   3HD2  LEU  31          3HD2      LEU  31  -9.968   5.969  -2.890
  201    H    SER  32           H        SER  32  -7.620   6.687  -1.068
  202    HA   SER  32           HA       SER  32  -4.711   7.036  -0.731
  203   1HB   SER  32          2HB       SER  32  -5.251   6.665   1.625
  204   2HB   SER  32          1HB       SER  32  -6.422   7.788   0.938
  205    HG   SER  32           HG       SER  32  -7.882   6.106   0.759
  206    H    GLY  33           H        GLY  33  -3.251   5.353  -0.449
  207   1HA   GLY  33          2HA       GLY  33  -3.626   2.865  -1.636
  208   2HA   GLY  33          1HA       GLY  33  -2.501   3.109  -0.297
  209    H    ASP  34           H        ASP  34  -4.779   3.983   1.444
  210    HA   ASP  34           HA       ASP  34  -5.395   1.461   2.669
  211   1HB   ASP  34          2HB       ASP  34  -5.357   3.415   4.015
  212   2HB   ASP  34          1HB       ASP  34  -6.389   4.305   2.896
  213    H    LYS  35           H        LYS  35  -6.928   3.281   0.097
  214    HA   LYS  35           HA       LYS  35  -9.420   1.669   0.309
  215   1HB   LYS  35          2HB       LYS  35  -8.495   4.094  -1.255
  216   2HB   LYS  35          1HB       LYS  35 -10.030   3.292  -1.598
  217   1HG   LYS  35          2HG       LYS  35 -10.491   3.538   0.941
  218   2HG   LYS  35          1HG       LYS  35  -9.180   4.718   0.920
  219   1HD   LYS  35          2HD       LYS  35 -10.683   5.483  -1.258
  220   2HD   LYS  35          1HD       LYS  35 -11.920   4.946  -0.122
  221   1HE   LYS  35          2HE       LYS  35 -11.701   6.951   0.918
  222   2HE   LYS  35          1HE       LYS  35 -10.078   6.436   1.419
  223   1HZ   LYS  35          1HZ       LYS  35  -9.583   8.270   0.154
  224   2HZ   LYS  35          2HZ       LYS  35 -10.878   8.030  -0.919
  225   3HZ   LYS  35          3HZ       LYS  35  -9.492   7.053  -1.023
  226    H    VAL  36           H        VAL  36  -6.614   2.327  -1.717
  227    HA   VAL  36           HA       VAL  36  -7.421   0.530  -3.882
  228    HB   VAL  36           HB       VAL  36  -4.803   1.800  -3.059
  229   1HG1  VAL  36          1HG1      VAL  36  -5.178  -0.279  -4.830
  230   2HG1  VAL  36          2HG1      VAL  36  -3.810   0.833  -4.835
  231   3HG1  VAL  36          3HG1      VAL  36  -5.199   1.139  -5.881
  232   1HG2  VAL  36          1HG2      VAL  36  -7.126   3.004  -3.932
  233   2HG2  VAL  36          2HG2      VAL  36  -6.223   2.786  -5.434
  234   3HG2  VAL  36          3HG2      VAL  36  -5.509   3.688  -4.096
  235    H    LYS  37           H        LYS  37  -5.157   0.388  -1.139
  236    HA   LYS  37           HA       LYS  37  -3.782  -1.940  -1.518
  237   1HB   LYS  37          2HB       LYS  37  -3.432  -0.729   0.471
  238   2HB   LYS  37          1HB       LYS  37  -5.143  -0.747   0.891
  239   1HG   LYS  37          2HG       LYS  37  -4.969  -2.745   1.945
  240   2HG   LYS  37          1HG       LYS  37  -4.004  -3.437   0.640
  241   1HD   LYS  37          2HD       LYS  37  -1.987  -2.420   1.499
  242   2HD   LYS  37          1HD       LYS  37  -2.902  -1.504   2.698
  243   1HE   LYS  37          2HE       LYS  37  -2.914  -4.538   2.613
  244   2HE   LYS  37          1HE       LYS  37  -1.777  -3.602   3.605
  245   1HZ   LYS  37          1HZ       LYS  37  -3.692  -2.414   4.550
  246   2HZ   LYS  37          2HZ       LYS  37  -3.748  -4.078   4.887
  247   3HZ   LYS  37          3HZ       LYS  37  -4.743  -3.418   3.678
  248    HA   PRO  38           HA       PRO  38  -7.439  -4.684  -0.030
  249   1HB   PRO  38          2HB       PRO  38  -9.923  -3.524   0.013
  250   2HB   PRO  38          1HB       PRO  38  -8.845  -3.559   1.424
  251   1HG   PRO  38          2HG       PRO  38  -9.340  -1.360  -0.527
  252   2HG   PRO  38          1HG       PRO  38  -9.157  -1.284   1.234
  253   1HD   PRO  38          2HD       PRO  38  -7.164  -0.614  -0.455
  254   2HD   PRO  38          1HD       PRO  38  -6.862  -1.352   1.134
  255    H    VAL  39           H        VAL  39  -8.160  -2.143  -2.382
  256    HA   VAL  39           HA       VAL  39  -9.871  -3.649  -4.114
  257    HB   VAL  39           HB       VAL  39  -8.113  -1.220  -4.227
  258   1HG1  VAL  39          1HG1      VAL  39  -9.547  -1.348  -6.675
  259   2HG1  VAL  39          2HG1      VAL  39  -8.642  -2.848  -6.544
  260   3HG1  VAL  39          3HG1      VAL  39  -7.800  -1.301  -6.451
  261   1HG2  VAL  39          1HG2      VAL  39 -10.115  -0.090  -4.212
  262   2HG2  VAL  39          2HG2      VAL  39 -10.657  -1.587  -3.454
  263   3HG2  VAL  39          3HG2      VAL  39 -10.936  -1.318  -5.175
  264    H    LEU  40           H        LEU  40  -6.373  -3.428  -3.756
  265    HA   LEU  40           HA       LEU  40  -5.857  -5.026  -6.183
  266   1HB   LEU  40          2HB       LEU  40  -4.049  -4.015  -3.963
  267   2HB   LEU  40          1HB       LEU  40  -3.540  -4.557  -5.566
  268    HG   LEU  40           HG       LEU  40  -5.500  -2.296  -5.154
  269   1HD1  LEU  40          1HD1      LEU  40  -3.331  -0.993  -5.943
  270   2HD1  LEU  40          2HD1      LEU  40  -2.513  -2.335  -5.140
  271   3HD1  LEU  40          3HD1      LEU  40  -3.636  -1.317  -4.239
  272   1HD2  LEU  40          1HD2      LEU  40  -5.243  -3.677  -7.333
  273   2HD2  LEU  40          2HD2      LEU  40  -3.710  -2.821  -7.508
  274   3HD2  LEU  40          3HD2      LEU  40  -5.225  -1.918  -7.448
  275    H    LEU  41           H        LEU  41  -6.126  -5.458  -2.719
  276    HA   LEU  41           HA       LEU  41  -4.793  -8.032  -2.599
  277   1HB   LEU  41          2HB       LEU  41  -6.700  -6.466  -0.849
  278   2HB   LEU  41          1HB       LEU  41  -6.075  -8.046  -0.374
  279    HG   LEU  41           HG       LEU  41  -4.246  -5.801  -1.221
  280   1HD1  LEU  41          1HD1      LEU  41  -3.912  -5.634   1.357
  281   2HD1  LEU  41          2HD1      LEU  41  -5.505  -6.383   1.453
  282   3HD1  LEU  41          3HD1      LEU  41  -5.310  -4.829   0.642
  283   1HD2  LEU  41          1HD2      LEU  41  -2.962  -7.384   0.616
  284   2HD2  LEU  41          2HD2      LEU  41  -2.864  -7.614  -1.131
  285   3HD2  LEU  41          3HD2      LEU  41  -4.014  -8.556  -0.181
  286    H    ASN  42           H        ASN  42  -7.789  -6.950  -3.813
  287    HA   ASN  42           HA       ASN  42  -9.208  -9.470  -3.262
  288   1HB   ASN  42          2HB       ASN  42  -9.797  -6.766  -4.393
  289   2HB   ASN  42          1HB       ASN  42 -10.875  -8.091  -4.834
  290   1HD2  ASN  42          1HD2      ASN  42 -11.905  -6.020  -3.238
  291   2HD2  ASN  42          2HD2      ASN  42 -12.162  -6.592  -1.660
  292    H    SER  43           H        SER  43  -6.960  -8.457  -5.520
  293    HA   SER  43           HA       SER  43  -8.134  -9.736  -7.895
  294   1HB   SER  43          2HB       SER  43  -6.040  -9.006  -8.912
  295   2HB   SER  43          1HB       SER  43  -6.660  -7.707  -7.897
  296    HG   SER  43           HG       SER  43  -5.219  -8.354  -6.284
  297    H    LYS  44           H        LYS  44  -7.206 -11.130  -5.184
  298    HA   LYS  44           HA       LYS  44  -6.348 -13.255  -4.628
  299   1HB   LYS  44          2HB       LYS  44  -7.320 -13.312  -7.400
  300   2HB   LYS  44          1HB       LYS  44  -6.104 -14.547  -7.068
  301   1HG   LYS  44          2HG       LYS  44  -7.533 -14.921  -4.875
  302   2HG   LYS  44          1HG       LYS  44  -8.813 -14.180  -5.836
  303   1HD   LYS  44          2HD       LYS  44  -9.091 -16.418  -6.398
  304   2HD   LYS  44          1HD       LYS  44  -7.997 -15.890  -7.677
  305   1HE   LYS  44          2HE       LYS  44  -6.296 -17.196  -6.904
  306   2HE   LYS  44          1HE       LYS  44  -6.617 -16.757  -5.214
  307   1HZ   LYS  44          1HZ       LYS  44  -7.874 -18.846  -6.858
  308   2HZ   LYS  44          2HZ       LYS  44  -8.783 -18.111  -5.626
  309   3HZ   LYS  44          3HZ       LYS  44  -7.339 -18.925  -5.252
  310    H    LEU  45           H        LEU  45  -4.612 -10.928  -5.926
  311    HA   LEU  45           HA       LEU  45  -2.218 -12.548  -6.674
  312   1HB   LEU  45          2HB       LEU  45  -3.191  -9.731  -7.032
  313   2HB   LEU  45          1HB       LEU  45  -1.459 -10.056  -7.130
  314    HG   LEU  45           HG       LEU  45  -3.547 -11.567  -8.719
  315   1HD1  LEU  45          1HD1      LEU  45  -3.461  -9.177  -9.370
  316   2HD1  LEU  45          2HD1      LEU  45  -2.808 -10.217 -10.635
  317   3HD1  LEU  45          3HD1      LEU  45  -1.716  -9.309  -9.589
  318   1HD2  LEU  45          1HD2      LEU  45  -1.795 -12.746  -9.621
  319   2HD2  LEU  45          2HD2      LEU  45  -1.032 -12.347  -8.080
  320   3HD2  LEU  45          3HD2      LEU  45  -0.688 -11.379  -9.515
  321    HA   PRO  46           HA       PRO  46  -0.344 -11.746  -2.802
  322   1HB   PRO  46          2HB       PRO  46   2.297 -11.726  -3.519
  323   2HB   PRO  46          1HB       PRO  46   1.325 -13.208  -3.455
  324   1HG   PRO  46          2HG       PRO  46   2.158 -11.596  -5.797
  325   2HG   PRO  46          1HG       PRO  46   1.968 -13.347  -5.638
  326   1HD   PRO  46          2HD       PRO  46   0.143 -11.685  -6.848
  327   2HD   PRO  46          1HD       PRO  46  -0.244 -13.278  -6.167
  328    H    VAL  47           H        VAL  47   1.252 -10.118  -1.754
  329    HA   VAL  47           HA       VAL  47   0.556  -7.438  -2.544
  330    HB   VAL  47           HB       VAL  47   1.913  -8.924  -0.419
  331   1HG1  VAL  47          1HG1      VAL  47   3.338  -7.126   0.399
  332   2HG1  VAL  47          2HG1      VAL  47   2.907  -6.120  -0.985
  333   3HG1  VAL  47          3HG1      VAL  47   3.853  -7.586  -1.223
  334   1HG2  VAL  47          1HG2      VAL  47  -0.144  -6.978  -0.799
  335   2HG2  VAL  47          2HG2      VAL  47   0.996  -6.356   0.396
  336   3HG2  VAL  47          3HG2      VAL  47   0.219  -7.920   0.646
  337    H    ASP  48           H        ASP  48   2.814  -9.624  -3.764
  338    HA   ASP  48           HA       ASP  48   4.998  -7.792  -4.310
  339   1HB   ASP  48          2HB       ASP  48   4.205 -10.439  -5.574
  340   2HB   ASP  48          1HB       ASP  48   5.799  -9.687  -5.665
  341    H    ILE  49           H        ILE  49   2.048  -8.840  -5.893
  342    HA   ILE  49           HA       ILE  49   2.693  -7.516  -8.430
  343    HB   ILE  49           HB       ILE  49  -0.014  -8.462  -7.478
  344   1HG1  ILE  49          2HG1      ILE  49   1.472 -10.280  -6.905
  345   2HG1  ILE  49          1HG1      ILE  49   0.659 -10.715  -8.408
  346   1HG2  ILE  49          1HG2      ILE  49  -0.393  -7.731  -9.596
  347   2HG2  ILE  49          2HG2      ILE  49   0.336  -9.268 -10.065
  348   3HG2  ILE  49          3HG2      ILE  49   1.315  -7.800 -10.028
  349   1HD1  ILE  49          1HD1      ILE  49   3.506 -10.010  -7.928
  350   2HD1  ILE  49          2HD1      ILE  49   2.787  -9.439  -9.436
  351   3HD1  ILE  49          3HD1      ILE  49   2.805 -11.164  -9.065
  352    H    LEU  50           H        LEU  50   0.655  -7.019  -5.605
  353    HA   LEU  50           HA       LEU  50  -0.483  -4.500  -6.531
  354   1HB   LEU  50          2HB       LEU  50  -0.248  -5.545  -3.710
  355   2HB   LEU  50          1HB       LEU  50  -1.524  -4.538  -4.390
  356    HG   LEU  50           HG       LEU  50  -0.973  -7.452  -5.010
  357   1HD1  LEU  50          1HD1      LEU  50  -3.294  -7.707  -4.144
  358   2HD1  LEU  50          2HD1      LEU  50  -3.302  -5.988  -3.747
  359   3HD1  LEU  50          3HD1      LEU  50  -2.181  -7.076  -2.929
  360   1HD2  LEU  50          1HD2      LEU  50  -3.398  -6.554  -6.182
  361   2HD2  LEU  50          2HD2      LEU  50  -1.947  -7.110  -7.015
  362   3HD2  LEU  50          3HD2      LEU  50  -2.153  -5.398  -6.650
  363    H    GLY  51           H        GLY  51   2.318  -5.569  -4.739
  364   1HA   GLY  51          2HA       GLY  51   2.956  -2.979  -3.585
  365   2HA   GLY  51          1HA       GLY  51   4.056  -4.359  -3.693
  366    H    ARG  52           H        ARG  52   3.539  -4.651  -6.564
  367    HA   ARG  52           HA       ARG  52   5.377  -2.513  -7.519
  368   1HB   ARG  52          2HB       ARG  52   5.914  -4.955  -7.711
  369   2HB   ARG  52          1HB       ARG  52   4.517  -5.129  -8.773
  370   1HG   ARG  52          2HG       ARG  52   5.476  -3.766 -10.450
  371   2HG   ARG  52          1HG       ARG  52   6.681  -3.108  -9.341
  372   1HD   ARG  52          2HD       ARG  52   6.551  -5.967 -10.356
  373   2HD   ARG  52          1HD       ARG  52   7.780  -4.755 -10.760
  374    HE   ARG  52           HE       ARG  52   8.065  -4.715  -8.125
  375   1HH1  ARG  52          1HH2      ARG  52   9.494  -6.767 -10.006
  376   2HH1  ARG  52          2HH2      ARG  52   9.334  -8.202  -9.049
  377   1HH2  ARG  52          2HH1      ARG  52   6.944  -6.840  -6.935
  378   2HH2  ARG  52          1HH1      ARG  52   7.889  -8.243  -7.310
  379    H    VAL  53           H        VAL  53   2.138  -3.870  -7.988
  380    HA   VAL  53           HA       VAL  53   1.654  -2.472 -10.499
  381    HB   VAL  53           HB       VAL  53  -0.030  -3.832  -8.390
  382   1HG1  VAL  53          1HG1      VAL  53  -1.886  -2.789  -9.124
  383   2HG1  VAL  53          2HG1      VAL  53  -1.536  -3.319 -10.768
  384   3HG1  VAL  53          3HG1      VAL  53  -0.904  -1.784 -10.187
  385   1HG2  VAL  53          1HG2      VAL  53  -0.145  -4.625 -11.235
  386   2HG2  VAL  53          2HG2      VAL  53   0.079  -5.625  -9.795
  387   3HG2  VAL  53          3HG2      VAL  53   1.455  -4.781 -10.505
  388    H    TRP  54           H        TRP  54   1.167  -1.782  -7.061
  389    HA   TRP  54           HA       TRP  54  -0.347   0.642  -7.410
  390   1HB   TRP  54          2HB       TRP  54  -0.350  -0.279  -5.234
  391   2HB   TRP  54          1HB       TRP  54   1.395  -0.559  -5.258
  392    HD1  TRP  54           HD1      TRP  54   2.974   1.651  -5.157
  393    HE1  TRP  54           HE1      TRP  54   2.595   3.920  -4.041
  394    HE3  TRP  54           HE3      TRP  54  -2.079   1.436  -4.451
  395    HZ2  TRP  54           HZ2      TRP  54   0.427   5.454  -2.945
  396    HZ3  TRP  54           HZ3      TRP  54  -3.276   3.320  -3.360
  397    HH2  TRP  54           HH2      TRP  54  -2.031   5.319  -2.612
  398    H    GLU  55           H        GLU  55   3.143   0.058  -6.815
  399    HA   GLU  55           HA       GLU  55   4.067   2.697  -6.888
  400   1HB   GLU  55          2HB       GLU  55   5.215   0.079  -7.844
  401   2HB   GLU  55          1HB       GLU  55   6.164   1.565  -7.807
  402   1HG   GLU  55          2HG       GLU  55   4.794   1.301  -5.310
  403   2HG   GLU  55          1HG       GLU  55   5.632  -0.213  -5.652
  404    H    LEU  56           H        LEU  56   4.051   0.500  -9.721
  405    HA   LEU  56           HA       LEU  56   4.568   2.571 -11.637
  406   1HB   LEU  56          2HB       LEU  56   3.112  -0.086 -11.891
  407   2HB   LEU  56          1HB       LEU  56   3.752   0.849 -13.242
  408    HG   LEU  56           HG       LEU  56   5.712   0.354 -11.099
  409   1HD1  LEU  56          1HD1      LEU  56   5.229  -2.014 -12.828
  410   2HD1  LEU  56          2HD1      LEU  56   4.091  -1.769 -11.505
  411   3HD1  LEU  56          3HD1      LEU  56   5.814  -1.937 -11.165
  412   1HD2  LEU  56          1HD2      LEU  56   7.133   0.571 -12.866
  413   2HD2  LEU  56          2HD2      LEU  56   5.711   1.060 -13.783
  414   3HD2  LEU  56          3HD2      LEU  56   6.247  -0.618 -13.821
  415    H    SER  57           H        SER  57   1.796   1.761  -9.790
  416    HA   SER  57           HA       SER  57  -0.153   3.064 -11.609
  417   1HB   SER  57          2HB       SER  57  -0.937   1.109 -10.511
  418   2HB   SER  57          1HB       SER  57  -0.221   1.592  -8.977
  419    HG   SER  57           HG       SER  57  -2.270   3.040 -10.301
  420    H    ASP  58           H        ASP  58   1.895   3.782  -8.916
  421    HA   ASP  58           HA       ASP  58   0.328   6.123  -8.026
  422   1HB   ASP  58          2HB       ASP  58   1.900   4.309  -6.772
  423   2HB   ASP  58          1HB       ASP  58   3.083   5.586  -7.057
  424    H    ILE  59           H        ILE  59   0.544   7.289 -10.113
  425    HA   ILE  59           HA       ILE  59   3.043   8.043 -11.273
  426    HB   ILE  59           HB       ILE  59   0.401   9.541 -11.190
  427   1HG1  ILE  59          2HG1      ILE  59   0.340   7.056 -11.891
  428   2HG1  ILE  59          1HG1      ILE  59  -0.331   8.218 -13.030
  429   1HG2  ILE  59          1HG2      ILE  59   1.154  10.366 -13.415
  430   2HG2  ILE  59          2HG2      ILE  59   2.691   9.535 -13.176
  431   3HG2  ILE  59          3HG2      ILE  59   2.233  10.864 -12.113
  432   1HD1  ILE  59          1HD1      ILE  59   1.822   8.227 -14.259
  433   2HD1  ILE  59          2HD1      ILE  59   1.108   6.613 -14.196
  434   3HD1  ILE  59          3HD1      ILE  59   2.455   7.026 -13.130
  435    H    ASP  60           H        ASP  60   1.296   9.171  -8.472
  436    HA   ASP  60           HA       ASP  60   3.103  11.537  -8.202
  437   1HB   ASP  60          2HB       ASP  60   0.761  10.857  -6.433
  438   2HB   ASP  60          1HB       ASP  60   1.408  12.443  -6.837
  439    H    HIS  61           H        HIS  61   2.759   8.334  -7.170
  440    HA   HIS  61           HA       HIS  61   3.537   7.137  -5.278
  441   1HB   HIS  61          2HB       HIS  61   5.975   7.677  -4.954
  442   2HB   HIS  61          1HB       HIS  61   5.515   7.475  -6.643
  443    HD1  HIS  61           HD1      HIS  61   5.948  10.298  -4.112
  444    HD2  HIS  61           HD2      HIS  61   6.188   9.641  -8.222
  445    HE1  HIS  61           HE1      HIS  61   6.779  12.460  -5.136
  446    H    ASP  62           H        ASP  62   1.758   8.950  -4.286
  447    HA   ASP  62           HA       ASP  62   3.169  10.147  -1.924
  448   1HB   ASP  62          2HB       ASP  62   1.364  11.816  -1.953
  449   2HB   ASP  62          1HB       ASP  62   2.126  11.751  -3.542
  450    H    GLY  63           H        GLY  63   1.841   7.419  -2.563
  451   1HA   GLY  63          2HA       GLY  63   0.763   5.849  -1.166
  452   2HA   GLY  63          1HA       GLY  63   0.524   7.130   0.025
  453    H    MET  64           H        MET  64  -0.456   7.506  -3.333
  454    HA   MET  64           HA       MET  64  -3.289   6.944  -2.639
  455   1HB   MET  64          2HB       MET  64  -2.100   9.621  -3.367
  456   2HB   MET  64          1HB       MET  64  -3.816   9.280  -3.556
  457   1HG   MET  64          2HG       MET  64  -4.084   8.878  -1.217
  458   2HG   MET  64          1HG       MET  64  -2.337   8.888  -0.955
  459   1HE   MET  64          1HE       MET  64  -4.961  11.176   0.361
  460   2HE   MET  64          2HE       MET  64  -5.469  10.351  -1.110
  461   3HE   MET  64          3HE       MET  64  -5.366  12.111  -1.085
  462    H    LEU  65           H        LEU  65  -4.687   6.992  -4.578
  463    HA   LEU  65           HA       LEU  65  -3.182   6.779  -7.167
  464   1HB   LEU  65          2HB       LEU  65  -5.169   4.954  -5.821
  465   2HB   LEU  65          1HB       LEU  65  -5.030   4.955  -7.579
  466    HG   LEU  65           HG       LEU  65  -2.821   4.393  -5.583
  467   1HD1  LEU  65          1HD1      LEU  65  -3.311   2.228  -5.936
  468   2HD1  LEU  65          2HD1      LEU  65  -3.230   2.451  -7.684
  469   3HD1  LEU  65          3HD1      LEU  65  -4.744   2.742  -6.826
  470   1HD2  LEU  65          1HD2      LEU  65  -2.797   5.007  -8.522
  471   2HD2  LEU  65          2HD2      LEU  65  -1.636   3.845  -7.881
  472   3HD2  LEU  65          3HD2      LEU  65  -1.655   5.498  -7.272
  473    H    ASP  66           H        ASP  66  -3.937   8.506  -8.362
  474    HA   ASP  66           HA       ASP  66  -6.481   9.790  -7.919
  475   1HB   ASP  66          2HB       ASP  66  -4.230  10.598  -8.954
  476   2HB   ASP  66          1HB       ASP  66  -4.868   9.920 -10.451
  477    H    ARG  67           H        ARG  67  -8.118  10.001  -9.743
  478    HA   ARG  67           HA       ARG  67  -9.356   7.576 -10.423
  479   1HB   ARG  67          2HB       ARG  67 -10.588   8.954 -12.046
  480   2HB   ARG  67          1HB       ARG  67 -10.315   9.874 -10.565
  481   1HG   ARG  67          2HG       ARG  67  -8.265  10.862 -11.637
  482   2HG   ARG  67          1HG       ARG  67  -8.731  10.064 -13.140
  483   1HD   ARG  67          2HD       ARG  67 -10.784  11.752 -11.746
  484   2HD   ARG  67          1HD       ARG  67  -9.504  12.562 -12.674
  485    HE   ARG  67           HE       ARG  67 -10.364  11.572 -14.666
  486   1HH1  ARG  67          1HH2      ARG  67 -12.709  11.539 -12.370
  487   2HH1  ARG  67          2HH2      ARG  67 -13.566  10.154 -12.961
  488   1HH2  ARG  67          2HH1      ARG  67 -11.087   9.248 -15.211
  489   2HH2  ARG  67          1HH1      ARG  67 -12.647   8.857 -14.569
  490    H    ASP  68           H        ASP  68  -6.971   9.441 -12.281
  491    HA   ASP  68           HA       ASP  68  -6.950   7.524 -14.506
  492   1HB   ASP  68          2HB       ASP  68  -6.556   9.936 -14.821
  493   2HB   ASP  68          1HB       ASP  68  -5.175   9.867 -13.727
  494    H    GLU  69           H        GLU  69  -5.061   8.216 -11.622
  495    HA   GLU  69           HA       GLU  69  -2.832   6.477 -12.246
  496   1HB   GLU  69          2HB       GLU  69  -3.792   8.273 -10.196
  497   2HB   GLU  69          1HB       GLU  69  -3.186   6.790  -9.454
  498   1HG   GLU  69          2HG       GLU  69  -1.119   6.996 -10.778
  499   2HG   GLU  69          1HG       GLU  69  -1.710   8.512 -11.451
  500    H    PHE  70           H        PHE  70  -5.667   6.195 -10.125
  501    HA   PHE  70           HA       PHE  70  -5.316   3.558  -9.210
  502   1HB   PHE  70          2HB       PHE  70  -7.030   5.341  -8.573
  503   2HB   PHE  70          1HB       PHE  70  -7.913   4.898 -10.032
  504    HD1  PHE  70           HD1      PHE  70  -7.182   4.028  -6.597
  505    HD2  PHE  70           HD2      PHE  70  -8.712   2.512 -10.314
  506    HE1  PHE  70           HE1      PHE  70  -8.256   2.152  -5.390
  507    HE2  PHE  70           HE2      PHE  70  -9.789   0.635  -9.103
  508    HZ   PHE  70           HZ       PHE  70  -9.562   0.461  -6.640
  509    H    ALA  71           H        ALA  71  -6.167   4.813 -12.341
  510    HA   ALA  71           HA       ALA  71  -7.432   2.446 -13.427
  511   1HB   ALA  71          1HB       ALA  71  -5.797   4.473 -14.957
  512   2HB   ALA  71          2HB       ALA  71  -7.339   4.924 -14.223
  513   3HB   ALA  71          3HB       ALA  71  -7.285   3.662 -15.456
  514    H    VAL  72           H        VAL  72  -4.152   3.763 -13.768
  515    HA   VAL  72           HA       VAL  72  -2.935   1.724 -15.264
  516    HB   VAL  72           HB       VAL  72  -1.835   3.342 -12.945
  517   1HG1  VAL  72          1HG1      VAL  72   0.187   3.192 -14.719
  518   2HG1  VAL  72          2HG1      VAL  72  -0.609   1.660 -15.070
  519   3HG1  VAL  72          3HG1      VAL  72  -0.040   2.001 -13.438
  520   1HG2  VAL  72          1HG2      VAL  72  -1.146   4.891 -14.886
  521   2HG2  VAL  72          2HG2      VAL  72  -2.857   4.889 -14.445
  522   3HG2  VAL  72          3HG2      VAL  72  -2.312   3.991 -15.860
  523    H    ALA  73           H        ALA  73  -3.922   1.722 -11.894
  524    HA   ALA  73           HA       ALA  73  -2.283  -0.650 -11.235
  525   1HB   ALA  73          1HB       ALA  73  -3.675   1.507  -9.932
  526   2HB   ALA  73          2HB       ALA  73  -2.437   0.434  -9.279
  527   3HB   ALA  73          3HB       ALA  73  -4.142  -0.033  -9.206
  528    H    MET  74           H        MET  74  -5.443  -0.156 -12.563
  529    HA   MET  74           HA       MET  74  -6.536  -2.617 -11.348
  530   1HB   MET  74          2HB       MET  74  -7.708  -1.065 -13.649
  531   2HB   MET  74          1HB       MET  74  -8.555  -1.997 -12.420
  532   1HG   MET  74          2HG       MET  74  -7.348   0.736 -12.231
  533   2HG   MET  74          1HG       MET  74  -8.930   0.185 -11.700
  534   1HE   MET  74          1HE       MET  74  -8.616  -1.823  -8.828
  535   2HE   MET  74          2HE       MET  74  -7.271  -2.660  -9.597
  536   3HE   MET  74          3HE       MET  74  -8.663  -2.175 -10.562
  537    H    PHE  75           H        PHE  75  -5.572  -1.546 -14.619
  538    HA   PHE  75           HA       PHE  75  -5.983  -4.195 -15.745
  539   1HB   PHE  75          2HB       PHE  75  -5.429  -3.141 -17.740
  540   2HB   PHE  75          1HB       PHE  75  -5.888  -1.738 -16.782
  541    HD1  PHE  75           HD1      PHE  75  -3.363  -3.152 -18.803
  542    HD2  PHE  75           HD2      PHE  75  -3.940  -0.665 -15.353
  543    HE1  PHE  75           HE1      PHE  75  -1.094  -2.204 -19.110
  544    HE2  PHE  75           HE2      PHE  75  -1.677   0.282 -15.658
  545    HZ   PHE  75           HZ       PHE  75  -0.249  -0.488 -17.537
  546    H    LEU  76           H        LEU  76  -3.486  -2.563 -13.994
  547    HA   LEU  76           HA       LEU  76  -1.286  -4.296 -14.797
  548   1HB   LEU  76          2HB       LEU  76  -1.861  -2.091 -12.911
  549   2HB   LEU  76          1HB       LEU  76  -0.627  -3.225 -12.362
  550    HG   LEU  76           HG       LEU  76  -0.618  -1.882 -15.078
  551   1HD1  LEU  76          1HD1      LEU  76   0.621  -0.175 -14.217
  552   2HD1  LEU  76          2HD1      LEU  76   1.468  -1.233 -13.088
  553   3HD1  LEU  76          3HD1      LEU  76  -0.141  -0.629 -12.693
  554   1HD2  LEU  76          1HD2      LEU  76   0.576  -4.202 -14.433
  555   2HD2  LEU  76          2HD2      LEU  76   1.790  -3.092 -13.798
  556   3HD2  LEU  76          3HD2      LEU  76   1.340  -3.025 -15.501
  557    H    VAL  77           H        VAL  77  -3.909  -4.372 -12.517
  558    HA   VAL  77           HA       VAL  77  -2.787  -6.651 -10.990
  559    HB   VAL  77           HB       VAL  77  -5.353  -5.025 -10.879
  560   1HG1  VAL  77          1HG1      VAL  77  -6.031  -7.126 -10.050
  561   2HG1  VAL  77          2HG1      VAL  77  -5.520  -6.271  -8.593
  562   3HG1  VAL  77          3HG1      VAL  77  -4.450  -7.456  -9.341
  563   1HG2  VAL  77          1HG2      VAL  77  -2.895  -4.298 -10.060
  564   2HG2  VAL  77          2HG2      VAL  77  -3.402  -5.199  -8.635
  565   3HG2  VAL  77          3HG2      VAL  77  -4.352  -3.821  -9.195
  566    H    TYR  78           H        TYR  78  -5.474  -5.889 -13.195
  567    HA   TYR  78           HA       TYR  78  -6.608  -8.534 -13.249
  568   1HB   TYR  78          2HB       TYR  78  -6.811  -5.950 -14.701
  569   2HB   TYR  78          1HB       TYR  78  -7.387  -7.373 -15.571
  570    HD1  TYR  78           HD1      TYR  78  -8.717  -4.823 -13.902
  571    HD2  TYR  78           HD2      TYR  78  -8.435  -9.087 -13.464
  572    HE1  TYR  78           HE1      TYR  78 -10.792  -4.820 -12.544
  573    HE2  TYR  78           HE2      TYR  78 -10.508  -9.084 -12.102
  574    HH   TYR  78           HH       TYR  78 -12.687  -7.020 -12.081
  575    H    CYS  79           H        CYS  79  -3.833  -7.121 -14.768
  576    HA   CYS  79           HA       CYS  79  -3.720  -9.069 -16.974
  577   1HB   CYS  79          2HB       CYS  79  -2.056  -6.792 -15.911
  578   2HB   CYS  79          1HB       CYS  79  -1.375  -7.890 -17.111
  579    HG   CYS  79           HG       CYS  79  -2.539  -6.334 -18.686
  580    H    ALA  80           H        ALA  80  -2.500  -8.713 -13.711
  581    HA   ALA  80           HA       ALA  80  -0.387 -10.691 -13.934
  582   1HB   ALA  80          1HB       ALA  80  -0.913 -10.561 -11.308
  583   2HB   ALA  80          2HB       ALA  80  -1.822  -9.137 -11.817
  584   3HB   ALA  80          3HB       ALA  80  -0.092  -9.242 -12.143
  585    H    LEU  81           H        LEU  81  -3.806 -10.756 -13.655
  586    HA   LEU  81           HA       LEU  81  -3.903 -13.471 -12.520
  587   1HB   LEU  81          2HB       LEU  81  -5.922 -11.397 -13.378
  588   2HB   LEU  81          1HB       LEU  81  -6.390 -12.993 -12.786
  589    HG   LEU  81           HG       LEU  81  -4.410 -11.811 -11.040
  590   1HD1  LEU  81          1HD1      LEU  81  -5.328  -9.785 -10.466
  591   2HD1  LEU  81          2HD1      LEU  81  -6.965 -10.286 -10.896
  592   3HD1  LEU  81          3HD1      LEU  81  -5.824  -9.817 -12.157
  593   1HD2  LEU  81          1HD2      LEU  81  -5.624 -13.113  -9.669
  594   2HD2  LEU  81          2HD2      LEU  81  -6.779 -13.398 -10.968
  595   3HD2  LEU  81          3HD2      LEU  81  -7.010 -12.039  -9.866
  596    H    GLU  82           H        GLU  82  -4.677 -11.795 -15.568
  597    HA   GLU  82           HA       GLU  82  -4.904 -14.488 -16.868
  598   1HB   GLU  82          2HB       GLU  82  -7.040 -13.600 -16.994
  599   2HB   GLU  82          1HB       GLU  82  -6.458 -11.938 -17.026
  600   1HG   GLU  82          2HG       GLU  82  -5.855 -12.087 -19.331
  601   2HG   GLU  82          1HG       GLU  82  -6.020 -13.842 -19.335
  602    H    LYS  83           H        LYS  83  -3.098 -11.550 -16.847
  603    HA   LYS  83           HA       LYS  83  -2.235 -12.012 -19.675
  604   1HB   LYS  83          2HB       LYS  83  -3.088  -9.777 -19.014
  605   2HB   LYS  83          1HB       LYS  83  -1.796  -9.646 -17.828
  606   1HG   LYS  83          2HG       LYS  83  -0.276  -9.079 -19.398
  607   2HG   LYS  83          1HG       LYS  83  -0.793 -10.384 -20.468
  608   1HD   LYS  83          2HD       LYS  83  -2.413  -9.069 -21.512
  609   2HD   LYS  83          1HD       LYS  83  -2.547  -7.967 -20.139
  610   1HE   LYS  83          2HE       LYS  83  -1.330  -6.695 -21.720
  611   2HE   LYS  83          1HE       LYS  83  -0.044  -7.384 -20.707
  612   1HZ   LYS  83          1HZ       LYS  83  -1.080  -8.505 -23.257
  613   2HZ   LYS  83          2HZ       LYS  83   0.037  -9.288 -22.245
  614   3HZ   LYS  83          3HZ       LYS  83   0.454  -7.827 -23.006
  615    H    GLU  84           H        GLU  84  -0.305 -10.469 -17.141
  616    HA   GLU  84           HA       GLU  84   1.489 -12.780 -16.853
  617   1HB   GLU  84          2HB       GLU  84   1.809 -10.748 -18.909
  618   2HB   GLU  84          1HB       GLU  84   3.205 -10.778 -17.834
  619   1HG   GLU  84          2HG       GLU  84   3.584 -13.112 -18.249
  620   2HG   GLU  84          1HG       GLU  84   2.030 -13.282 -19.065
  621    HA   PRO  85           HA       PRO  85   2.827 -10.680 -13.246
  622   1HB   PRO  85          2HB       PRO  85   5.567 -10.555 -13.376
  623   2HB   PRO  85          1HB       PRO  85   4.674 -12.052 -13.034
  624   1HG   PRO  85          2HG       PRO  85   5.850 -11.098 -15.606
  625   2HG   PRO  85          1HG       PRO  85   5.859 -12.721 -14.897
  626   1HD   PRO  85          2HD       PRO  85   4.160 -12.033 -16.870
  627   2HD   PRO  85          1HD       PRO  85   3.709 -13.190 -15.597
  628    H    VAL  86           H        VAL  86   4.036  -8.663 -12.417
  629    HA   VAL  86           HA       VAL  86   3.948  -6.544 -14.534
  630    HB   VAL  86           HB       VAL  86   3.428  -6.516 -11.543
  631   1HG1  VAL  86          1HG1      VAL  86   3.373  -4.307 -13.616
  632   2HG1  VAL  86          2HG1      VAL  86   4.378  -4.386 -12.169
  633   3HG1  VAL  86          3HG1      VAL  86   2.634  -4.165 -12.022
  634   1HG2  VAL  86          1HG2      VAL  86   1.494  -7.418 -12.432
  635   2HG2  VAL  86          2HG2      VAL  86   1.732  -6.651 -14.002
  636   3HG2  VAL  86          3HG2      VAL  86   1.132  -5.705 -12.640
  637    HA   PRO  87           HA       PRO  87   8.205  -5.974 -13.408
  638   1HB   PRO  87          2HB       PRO  87   8.722  -3.960 -15.185
  639   2HB   PRO  87          1HB       PRO  87   8.580  -5.658 -15.679
  640   1HG   PRO  87          2HG       PRO  87   6.698  -3.429 -16.059
  641   2HG   PRO  87          1HG       PRO  87   6.897  -4.913 -16.997
  642   1HD   PRO  87          2HD       PRO  87   4.901  -4.367 -15.071
  643   2HD   PRO  87          1HD       PRO  87   5.222  -5.919 -15.871
  644    H    MET  88           H        MET  88   9.516  -3.624 -13.133
  645    HA   MET  88           HA       MET  88   7.749  -2.022 -11.309
  646   1HB   MET  88          2HB       MET  88  10.766  -2.161 -11.384
  647   2HB   MET  88          1HB       MET  88   9.752  -1.546 -10.082
  648   1HG   MET  88          2HG       MET  88   8.956  -3.733  -9.540
  649   2HG   MET  88          1HG       MET  88   9.630  -4.421 -11.016
  650   1HE   MET  88          1HE       MET  88  11.873  -5.741 -10.953
  651   2HE   MET  88          2HE       MET  88  13.281  -4.762 -10.550
  652   3HE   MET  88          3HE       MET  88  12.061  -4.128 -11.651
  653    H    SER  89           H        SER  89   8.757  -1.866 -14.382
  654    HA   SER  89           HA       SER  89   9.683   0.967 -14.216
  655   1HB   SER  89          2HB       SER  89   9.760  -1.021 -16.483
  656   2HB   SER  89          1HB       SER  89  10.570   0.540 -16.433
  657    HG   SER  89           HG       SER  89  11.469  -1.781 -15.566
  658    H    LEU  90           H        LEU  90   7.830   2.157 -14.181
  659    HA   LEU  90           HA       LEU  90   5.370   1.726 -15.486
  660   1HB   LEU  90          2HB       LEU  90   6.889   3.901 -14.287
  661   2HB   LEU  90          1HB       LEU  90   5.920   4.483 -15.642
  662    HG   LEU  90           HG       LEU  90   4.695   2.649 -13.597
  663   1HD1  LEU  90          1HD1      LEU  90   5.636   4.411 -12.239
  664   2HD1  LEU  90          2HD1      LEU  90   3.914   4.742 -12.420
  665   3HD1  LEU  90          3HD1      LEU  90   5.091   5.645 -13.373
  666   1HD2  LEU  90          1HD2      LEU  90   2.700   3.350 -14.517
  667   2HD2  LEU  90          2HD2      LEU  90   3.738   3.585 -15.922
  668   3HD2  LEU  90          3HD2      LEU  90   3.318   4.957 -14.897
  669    HA   PRO  91           HA       PRO  91   7.140   1.892 -19.640
  670   1HB   PRO  91          2HB       PRO  91   4.960   0.784 -20.875
  671   2HB   PRO  91          1HB       PRO  91   6.215  -0.175 -20.066
  672   1HG   PRO  91          2HG       PRO  91   3.514   0.603 -19.103
  673   2HG   PRO  91          1HG       PRO  91   4.401  -0.909 -18.873
  674   1HD   PRO  91          2HD       PRO  91   4.181   1.028 -16.957
  675   2HD   PRO  91          1HD       PRO  91   5.540  -0.114 -17.055
  676    HA   PRO  92           HA       PRO  92   5.257   5.626 -20.968
  677   1HB   PRO  92          2HB       PRO  92   5.951   5.575 -23.608
  678   2HB   PRO  92          1HB       PRO  92   7.115   5.908 -22.310
  679   1HG   PRO  92          2HG       PRO  92   6.629   3.388 -23.817
  680   2HG   PRO  92          1HG       PRO  92   8.156   4.100 -23.274
  681   1HD   PRO  92          2HD       PRO  92   6.931   2.032 -21.998
  682   2HD   PRO  92          1HD       PRO  92   7.972   3.213 -21.172
  683    H    ALA  93           H        ALA  93   4.234   2.578 -22.130
  684    HA   ALA  93           HA       ALA  93   2.201   3.624 -23.988
  685   1HB   ALA  93          1HB       ALA  93   2.162   1.446 -24.661
  686   2HB   ALA  93          2HB       ALA  93   1.990   0.854 -23.008
  687   3HB   ALA  93          3HB       ALA  93   3.587   1.253 -23.640
  688    H    LEU  94           H        LEU  94   2.497   2.627 -20.665
  689    HA   LEU  94           HA       LEU  94  -0.446   2.849 -20.240
  690   1HB   LEU  94          2HB       LEU  94   0.251   0.864 -19.287
  691   2HB   LEU  94          1HB       LEU  94   1.894   1.437 -19.066
  692    HG   LEU  94           HG       LEU  94   0.635   0.999 -16.932
  693   1HD1  LEU  94          1HD1      LEU  94   1.115   3.826 -16.597
  694   2HD1  LEU  94          2HD1      LEU  94   2.357   3.106 -17.624
  695   3HD1  LEU  94          3HD1      LEU  94   2.059   2.456 -16.011
  696   1HD2  LEU  94          1HD2      LEU  94  -1.453   1.798 -16.749
  697   2HD2  LEU  94          2HD2      LEU  94  -1.277   2.684 -18.264
  698   3HD2  LEU  94          3HD2      LEU  94  -0.793   3.433 -16.742
  699    H    VAL  95           H        VAL  95   2.466   4.594 -19.934
  700    HA   VAL  95           HA       VAL  95   1.632   6.195 -17.602
  701    HB   VAL  95           HB       VAL  95   3.964   6.203 -19.530
  702   1HG1  VAL  95          1HG1      VAL  95   3.498   8.006 -17.132
  703   2HG1  VAL  95          2HG1      VAL  95   3.467   8.523 -18.818
  704   3HG1  VAL  95          3HG1      VAL  95   4.970   7.941 -18.103
  705   1HG2  VAL  95          1HG2      VAL  95   3.621   4.456 -17.634
  706   2HG2  VAL  95          2HG2      VAL  95   4.005   5.786 -16.542
  707   3HG2  VAL  95          3HG2      VAL  95   5.185   5.262 -17.744
  708    HA   PRO  96           HA       PRO  96  -0.525   9.154 -20.093
  709   1HB   PRO  96          2HB       PRO  96  -0.718  11.115 -18.188
  710   2HB   PRO  96          1HB       PRO  96  -1.727   9.655 -18.173
  711   1HG   PRO  96          2HG       PRO  96   0.717  10.285 -16.596
  712   2HG   PRO  96          1HG       PRO  96  -0.765   9.455 -16.097
  713   1HD   PRO  96          2HD       PRO  96   1.547   8.151 -16.701
  714   2HD   PRO  96          1HD       PRO  96  -0.066   7.433 -16.917
  715    HA   PRO  97           HA       PRO  97   2.421  12.089 -21.514
  716   1HB   PRO  97          2HB       PRO  97   1.071  14.476 -21.606
  717   2HB   PRO  97          1HB       PRO  97   0.791  13.157 -22.760
  718   1HG   PRO  97          2HG       PRO  97  -0.771  13.907 -20.331
  719   2HG   PRO  97          1HG       PRO  97  -1.347  13.408 -21.931
  720   1HD   PRO  97          2HD       PRO  97  -1.293  11.716 -19.828
  721   2HD   PRO  97          1HD       PRO  97  -1.024  11.165 -21.496
  722    H    SER  98           H        SER  98   3.354  14.435 -20.949
  723    HA   SER  98           HA       SER  98   4.326  15.850 -19.334
  724   1HB   SER  98          2HB       SER  98   2.663  16.528 -17.960
  725   2HB   SER  98          1HB       SER  98   1.754  15.072 -18.343
  726    HG   SER  98           HG       SER  98   2.805  15.685 -16.055
  727    H    LYS  99           H        LYS  99   3.463  12.725 -17.836
  728    HA   LYS  99           HA       LYS  99   6.095  12.621 -16.498
  729   1HB   LYS  99          2HB       LYS  99   3.880  11.937 -15.470
  730   2HB   LYS  99          1HB       LYS  99   3.835  10.601 -16.621
  731   1HG   LYS  99          2HG       LYS  99   4.877   9.512 -14.879
  732   2HG   LYS  99          1HG       LYS  99   6.305  10.206 -15.649
  733   1HD   LYS  99          2HD       LYS  99   6.731  11.481 -13.843
  734   2HD   LYS  99          1HD       LYS  99   5.094  12.138 -13.868
  735   1HE   LYS  99          2HE       LYS  99   4.255  10.428 -12.462
  736   2HE   LYS  99          1HE       LYS  99   5.647   9.371 -12.775
  737   1HZ   LYS  99          1HZ       LYS  99   6.223  12.027 -11.722
  738   2HZ   LYS  99          2HZ       LYS  99   6.980  10.542 -11.393
  739   3HZ   LYS  99          3HZ       LYS  99   5.508  10.932 -10.641
  740    H    ARG 100           H        ARG 100   5.396  12.336 -19.562
  741    HA   ARG 100           HA       ARG 100   5.991   9.693 -20.427
  742   1HB   ARG 100          2HB       ARG 100   6.642  12.388 -21.667
  743   2HB   ARG 100          1HB       ARG 100   6.564  10.857 -22.540
  744   1HG   ARG 100          2HG       ARG 100   4.266  12.128 -21.025
  745   2HG   ARG 100          1HG       ARG 100   4.457  12.122 -22.778
  746   1HD   ARG 100          2HD       ARG 100   4.230   9.631 -21.048
  747   2HD   ARG 100          1HD       ARG 100   2.936  10.300 -22.063
  748    HE   ARG 100           HE       ARG 100   5.134   8.740 -23.043
  749   1HH1  ARG 100          1HH2      ARG 100   2.542   9.393 -24.492
  750   2HH1  ARG 100          2HH2      ARG 100   3.126  10.320 -25.834
  751   1HH2  ARG 100          2HH1      ARG 100   6.240  10.896 -24.418
  752   2HH2  ARG 100          1HH1      ARG 100   5.222  11.171 -25.791
  753    H    SER 107           1H       SER 107   5.876   2.194   2.562
  754    HA   SER 107           HA       SER 107   5.266   4.060   4.274
  755   1HB   SER 107          2HB       SER 107   6.928   5.973   3.186
  756   2HB   SER 107          1HB       SER 107   7.186   5.191   4.743
  757    HG   SER 107           HG       SER 107   8.831   5.137   2.812
  758    H    THR 108           H        THR 108   6.458   3.775   0.938
  759    HA   THR 108           HA       THR 108   4.286   5.563  -0.026
  760    HB   THR 108           HB       THR 108   6.495   4.163  -1.561
  761    HG1  THR 108           HG1      THR 108   6.477   6.482   0.020
  762   1HG2  THR 108          1HG2      THR 108   6.118   6.442  -2.865
  763   2HG2  THR 108          2HG2      THR 108   4.529   6.350  -2.105
  764   3HG2  THR 108          3HG2      THR 108   5.077   5.049  -3.162
  765    H    ASN 109           H        ASN 109   5.250   2.180   0.024
  766    HA   ASN 109           HA       ASN 109   2.887   1.501  -1.691
  767   1HB   ASN 109          2HB       ASN 109   5.224   0.883  -2.417
  768   2HB   ASN 109          1HB       ASN 109   5.327  -0.163  -0.998
  769   1HD2  ASN 109          1HD2      ASN 109   3.596   0.317  -4.071
  770   2HD2  ASN 109          2HD2      ASN 109   2.980  -1.258  -4.171
  771    HA   PRO 110           HA       PRO 110   1.360   0.101   2.309
  772   1HB   PRO 110          2HB       PRO 110  -1.217  -0.254   1.463
  773   2HB   PRO 110          1HB       PRO 110  -0.549   1.337   1.880
  774   1HG   PRO 110          2HG       PRO 110  -0.965   0.103  -0.792
  775   2HG   PRO 110          1HG       PRO 110  -1.203   1.776  -0.272
  776   1HD   PRO 110          2HD       PRO 110   0.977   0.937  -1.676
  777   2HD   PRO 110          1HD       PRO 110   0.999   2.320  -0.563
  778    H    PHE 111           H        PHE 111   2.000  -1.603  -0.481
  779    HA   PHE 111           HA       PHE 111   0.648  -4.105   0.437
  780   1HB   PHE 111          2HB       PHE 111   2.260  -3.702  -2.089
  781   2HB   PHE 111          1HB       PHE 111   0.989  -4.884  -1.791
  782    HD1  PHE 111           HD1      PHE 111   1.647  -1.243  -2.212
  783    HD2  PHE 111           HD2      PHE 111  -1.317  -4.359  -2.219
  784    HE1  PHE 111           HE1      PHE 111  -0.032   0.351  -3.072
  785    HE2  PHE 111           HE2      PHE 111  -2.987  -2.752  -3.080
  786    HZ   PHE 111           HZ       PHE 111  -2.341  -0.395  -3.502
  787    H    ARG 112           HN       ARG 112   3.850  -2.898  -0.565
  788    HA   ARG 112           HA       ARG 112   5.238  -5.296   0.352
  789   1HB   ARG 112          2HB       ARG 112   6.240  -2.516  -0.350
  790   2HB   ARG 112          1HB       ARG 112   7.219  -3.982  -0.277
  791   1HG   ARG 112          2HG       ARG 112   4.792  -3.921  -2.043
  792   2HG   ARG 112          1HG       ARG 112   6.284  -3.157  -2.593
  793   1HD   ARG 112          2HD       ARG 112   6.798  -5.792  -1.441
  794   2HD   ARG 112          1HD       ARG 112   5.682  -5.873  -2.820
  795    HE   ARG 112           HE       ARG 112   7.392  -4.951  -4.222
  796   1HH1  ARG 112          1HH2      ARG 112   8.397  -2.864  -2.317
  797   2HH1  ARG 112          2HH2      ARG 112   9.990  -3.442  -1.955
  798   1HH2  ARG 112          1HH1      ARG 112   9.387  -6.641  -3.145
  799   2HH2  ARG 112          2HH1      ARG 112  10.549  -5.580  -2.424
  Start of MODEL    3
    1    HA   PRO   6           HA       PRO   6  -1.800   5.639 -27.415
    2   1HB   PRO   6          2HB       PRO   6  -4.206   4.754 -26.461
    3   2HB   PRO   6          1HB       PRO   6  -3.965   5.262 -28.143
    4   1HG   PRO   6          2HG       PRO   6  -4.119   2.527 -26.999
    5   2HG   PRO   6          1HG       PRO   6  -4.708   3.139 -28.552
    6   1HD   PRO   6          2HD       PRO   6  -2.400   1.680 -28.231
    7   2HD   PRO   6          1HD       PRO   6  -2.711   2.785 -29.588
    8    H    TRP   7           H        TRP   7  -2.943   5.866 -25.010
    9    HA   TRP   7           HA       TRP   7  -1.035   5.119 -23.087
   10   1HB   TRP   7          2HB       TRP   7  -2.714   6.832 -22.723
   11   2HB   TRP   7          1HB       TRP   7  -4.016   5.655 -22.892
   12    HD1  TRP   7           HD1      TRP   7  -0.906   4.743 -20.923
   13    HE1  TRP   7           HE1      TRP   7  -1.521   4.515 -18.429
   14    HE3  TRP   7           HE3      TRP   7  -5.694   6.510 -21.033
   15    HZ2  TRP   7           HZ2      TRP   7  -3.752   5.016 -16.708
   16    HZ3  TRP   7           HZ3      TRP   7  -7.041   6.623 -18.956
   17    HH2  TRP   7           HH2      TRP   7  -6.078   5.878 -16.795
   18    H    ALA   8           H        ALA   8  -0.649   3.226 -21.980
   19    HA   ALA   8           HA       ALA   8  -1.412   0.697 -22.731
   20   1HB   ALA   8          1HB       ALA   8  -0.787   1.953 -20.071
   21   2HB   ALA   8          2HB       ALA   8   0.227   0.906 -21.065
   22   3HB   ALA   8          3HB       ALA   8  -1.134   0.227 -20.171
   23    H    VAL   9           H        VAL   9  -3.332   2.989 -20.896
   24    HA   VAL   9           HA       VAL   9  -5.515   0.948 -20.661
   25    HB   VAL   9           HB       VAL   9  -4.869   3.475 -19.111
   26   1HG1  VAL   9          1HG1      VAL   9  -6.828   3.161 -17.858
   27   2HG1  VAL   9          2HG1      VAL   9  -7.010   1.488 -18.386
   28   3HG1  VAL   9          3HG1      VAL   9  -7.365   2.808 -19.500
   29   1HG2  VAL   9          1HG2      VAL   9  -4.490   1.885 -17.256
   30   2HG2  VAL   9          2HG2      VAL   9  -3.424   1.528 -18.614
   31   3HG2  VAL   9          3HG2      VAL   9  -4.858   0.538 -18.334
   32    H    LYS  10           H        LYS  10  -7.422   1.374 -21.729
   33    HA   LYS  10           HA       LYS  10  -7.559   3.820 -23.404
   34   1HB   LYS  10          2HB       LYS  10  -8.433   1.057 -23.479
   35   2HB   LYS  10          1HB       LYS  10  -9.792   2.135 -23.791
   36   1HG   LYS  10          2HG       LYS  10  -8.995   2.144 -25.925
   37   2HG   LYS  10          1HG       LYS  10  -7.838   3.315 -25.291
   38   1HD   LYS  10          2HD       LYS  10  -6.463   1.714 -26.339
   39   2HD   LYS  10          1HD       LYS  10  -6.421   1.238 -24.641
   40   1HE   LYS  10          2HE       LYS  10  -8.510  -0.242 -25.309
   41   2HE   LYS  10          1HE       LYS  10  -7.825  -0.090 -26.939
   42   1HZ   LYS  10          1HZ       LYS  10  -6.964  -1.892 -25.190
   43   2HZ   LYS  10          2HZ       LYS  10  -5.940  -0.601 -24.781
   44   3HZ   LYS  10          3HZ       LYS  10  -5.959  -1.203 -26.369
   45    HA   PRO  11           HA       PRO  11 -10.808   5.771 -21.177
   46   1HB   PRO  11          2HB       PRO  11 -12.872   6.074 -22.954
   47   2HB   PRO  11          1HB       PRO  11 -11.376   7.026 -23.039
   48   1HG   PRO  11          2HG       PRO  11 -12.189   4.629 -24.612
   49   2HG   PRO  11          1HG       PRO  11 -11.340   6.091 -25.141
   50   1HD   PRO  11          2HD       PRO  11 -10.071   3.744 -24.661
   51   2HD   PRO  11          1HD       PRO  11  -9.297   5.326 -24.427
   52    H    GLU  12           H        GLU  12 -11.913   2.964 -23.031
   53    HA   GLU  12           HA       GLU  12 -14.277   2.485 -21.389
   54   1HB   GLU  12          2HB       GLU  12 -12.820   0.482 -23.119
   55   2HB   GLU  12          1HB       GLU  12 -14.553   0.610 -22.822
   56   1HG   GLU  12          2HG       GLU  12 -12.813   2.403 -24.513
   57   2HG   GLU  12          1HG       GLU  12 -14.234   1.487 -25.009
   58    H    ASP  13           H        ASP  13 -10.930   1.382 -21.460
   59    HA   ASP  13           HA       ASP  13 -11.308  -0.684 -19.423
   60   1HB   ASP  13          2HB       ASP  13  -9.100   0.574 -20.998
   61   2HB   ASP  13          1HB       ASP  13  -8.645  -0.207 -19.483
   62    H    LYS  14           H        LYS  14 -10.317   2.696 -19.562
   63    HA   LYS  14           HA       LYS  14  -9.567   2.847 -16.751
   64   1HB   LYS  14          2HB       LYS  14  -8.824   4.291 -18.774
   65   2HB   LYS  14          1HB       LYS  14 -10.364   5.127 -18.565
   66   1HG   LYS  14          2HG       LYS  14  -9.224   4.910 -15.984
   67   2HG   LYS  14          1HG       LYS  14  -7.928   5.445 -17.056
   68   1HD   LYS  14          2HD       LYS  14  -9.156   7.353 -17.763
   69   2HD   LYS  14          1HD       LYS  14 -10.666   6.723 -17.103
   70   1HE   LYS  14          2HE       LYS  14 -10.206   7.515 -15.018
   71   2HE   LYS  14          1HE       LYS  14  -8.515   6.985 -15.100
   72   1HZ   LYS  14          1HZ       LYS  14  -7.899   8.855 -16.308
   73   2HZ   LYS  14          2HZ       LYS  14  -8.992   9.493 -15.175
   74   3HZ   LYS  14          3HZ       LYS  14  -9.489   9.213 -16.775
   75    H    ALA  15           H        ALA  15 -12.468   2.997 -18.602
   76    HA   ALA  15           HA       ALA  15 -14.108   4.569 -16.820
   77   1HB   ALA  15          1HB       ALA  15 -15.292   4.337 -18.744
   78   2HB   ALA  15          2HB       ALA  15 -15.714   2.718 -18.186
   79   3HB   ALA  15          3HB       ALA  15 -14.320   2.952 -19.240
   80    H    LYS  16           H        LYS  16 -13.586   1.057 -17.235
   81    HA   LYS  16           HA       LYS  16 -15.308   0.316 -15.031
   82   1HB   LYS  16          2HB       LYS  16 -14.814  -1.794 -15.792
   83   2HB   LYS  16          1HB       LYS  16 -14.151  -0.923 -17.171
   84   1HG   LYS  16          2HG       LYS  16 -11.931  -1.042 -16.286
   85   2HG   LYS  16          1HG       LYS  16 -12.518  -1.635 -14.731
   86   1HD   LYS  16          2HD       LYS  16 -11.752  -3.586 -15.841
   87   2HD   LYS  16          1HD       LYS  16 -13.501  -3.614 -16.061
   88   1HE   LYS  16          2HE       LYS  16 -13.362  -3.122 -18.322
   89   2HE   LYS  16          1HE       LYS  16 -11.849  -2.214 -18.136
   90   1HZ   LYS  16          1HZ       LYS  16 -11.761  -5.010 -17.356
   91   2HZ   LYS  16          2HZ       LYS  16 -10.608  -4.079 -18.187
   92   3HZ   LYS  16          3HZ       LYS  16 -11.940  -4.728 -19.019
   93    H    TYR  17           H        TYR  17 -12.085   1.496 -15.364
   94    HA   TYR  17           HA       TYR  17 -11.105   0.572 -12.757
   95   1HB   TYR  17          2HB       TYR  17 -10.145   2.666 -14.742
   96   2HB   TYR  17          1HB       TYR  17  -9.208   2.073 -13.373
   97    HD1  TYR  17           HD1      TYR  17  -7.842   1.767 -15.801
   98    HD2  TYR  17           HD2      TYR  17 -10.998  -0.704 -14.261
   99    HE1  TYR  17           HE1      TYR  17  -7.022  -0.130 -17.176
  100    HE2  TYR  17           HE2      TYR  17 -10.191  -2.595 -15.644
  101    HH   TYR  17           HH       TYR  17  -8.315  -3.357 -16.802
  102    H    ASP  18           H        ASP  18 -12.713   3.370 -14.124
  103    HA   ASP  18           HA       ASP  18 -12.275   5.133 -11.840
  104   1HB   ASP  18          2HB       ASP  18 -12.892   5.510 -14.413
  105   2HB   ASP  18          1HB       ASP  18 -14.538   5.444 -13.781
  106    H    ALA  19           H        ALA  19 -14.511   2.592 -12.624
  107    HA   ALA  19           HA       ALA  19 -16.601   3.477 -10.756
  108   1HB   ALA  19          1HB       ALA  19 -16.602   0.665 -11.539
  109   2HB   ALA  19          2HB       ALA  19 -16.329   1.712 -12.932
  110   3HB   ALA  19          3HB       ALA  19 -17.770   1.925 -11.938
  111    H    ILE  20           H        ILE  20 -13.820   1.309 -10.810
  112    HA   ILE  20           HA       ILE  20 -14.380   0.126  -8.203
  113    HB   ILE  20           HB       ILE  20 -12.031   0.213 -10.122
  114   1HG1  ILE  20          2HG1      ILE  20 -13.718  -2.162  -9.320
  115   2HG1  ILE  20          1HG1      ILE  20 -14.215  -1.079 -10.622
  116   1HG2  ILE  20          1HG2      ILE  20 -10.766  -1.113  -8.715
  117   2HG2  ILE  20          2HG2      ILE  20 -12.175  -1.744  -7.866
  118   3HG2  ILE  20          3HG2      ILE  20 -11.597  -0.113  -7.523
  119   1HD1  ILE  20          1HD1      ILE  20 -12.055  -1.482 -11.769
  120   2HD1  ILE  20          2HD1      ILE  20 -12.951  -2.983 -11.531
  121   3HD1  ILE  20          3HD1      ILE  20 -11.589  -2.592 -10.481
  122    H    PHE  21           H        PHE  21 -12.529   2.762  -9.587
  123    HA   PHE  21           HA       PHE  21 -10.986   3.453  -7.260
  124   1HB   PHE  21          2HB       PHE  21 -10.124   4.394  -9.173
  125   2HB   PHE  21          1HB       PHE  21 -11.705   4.517  -9.936
  126    HD1  PHE  21           HD1      PHE  21  -9.075   6.315  -8.349
  127    HD2  PHE  21           HD2      PHE  21 -13.326   6.329  -8.959
  128    HE1  PHE  21           HE1      PHE  21  -9.143   8.737  -7.821
  129    HE2  PHE  21           HE2      PHE  21 -13.396   8.749  -8.425
  130    HZ   PHE  21           HZ       PHE  21 -11.304   9.954  -7.858
  131    H    ASP  22           H        ASP  22 -14.183   4.336  -8.465
  132    HA   ASP  22           HA       ASP  22 -14.628   6.254  -6.259
  133   1HB   ASP  22          2HB       ASP  22 -15.453   6.921  -8.367
  134   2HB   ASP  22          1HB       ASP  22 -16.104   5.318  -8.715
  135    H    SER  23           H        SER  23 -14.877   2.922  -6.688
  136    HA   SER  23           HA       SER  23 -17.364   2.474  -5.204
  137   1HB   SER  23          2HB       SER  23 -16.691   0.138  -5.423
  138   2HB   SER  23          1HB       SER  23 -16.357   0.954  -6.947
  139    HG   SER  23           HG       SER  23 -14.494   0.507  -4.847
  140    H    LEU  24           H        LEU  24 -14.128   3.243  -4.467
  141    HA   LEU  24           HA       LEU  24 -14.175   2.076  -1.747
  142   1HB   LEU  24          2HB       LEU  24 -12.121   3.902  -3.005
  143   2HB   LEU  24          1HB       LEU  24 -11.868   2.684  -1.756
  144    HG   LEU  24           HG       LEU  24 -12.779   1.980  -4.551
  145   1HD1  LEU  24          1HD1      LEU  24 -10.686   2.272  -5.323
  146   2HD1  LEU  24          2HD1      LEU  24 -10.038   1.293  -4.007
  147   3HD1  LEU  24          3HD1      LEU  24 -10.264   3.027  -3.785
  148   1HD2  LEU  24          1HD2      LEU  24 -12.998   0.419  -2.483
  149   2HD2  LEU  24          2HD2      LEU  24 -11.240   0.298  -2.584
  150   3HD2  LEU  24          3HD2      LEU  24 -12.240  -0.233  -3.938
  151    H    SER  25           H        SER  25 -13.648   5.224  -3.280
  152    HA   SER  25           HA       SER  25 -15.326   7.033  -2.264
  153   1HB   SER  25          2HB       SER  25 -15.391   6.334  -0.037
  154   2HB   SER  25          1HB       SER  25 -13.677   5.935  -0.004
  155    HG   SER  25           HG       SER  25 -13.228   8.156  -0.036
  156    HA   PRO  26           HA       PRO  26 -11.536   8.776  -4.035
  157   1HB   PRO  26          2HB       PRO  26 -12.846  10.431  -5.769
  158   2HB   PRO  26          1HB       PRO  26 -12.525   8.720  -6.120
  159   1HG   PRO  26          2HG       PRO  26 -15.030  10.026  -5.214
  160   2HG   PRO  26          1HG       PRO  26 -14.801   8.671  -6.329
  161   1HD   PRO  26          2HD       PRO  26 -15.583   8.404  -3.700
  162   2HD   PRO  26          1HD       PRO  26 -14.785   7.130  -4.642
  163    H    VAL  27           H        VAL  27 -10.601  10.803  -3.645
  164    HA   VAL  27           HA       VAL  27 -12.267  12.790  -2.134
  165    HB   VAL  27           HB       VAL  27  -9.398  11.879  -1.706
  166   1HG1  VAL  27          1HG1      VAL  27 -11.023  13.808  -0.030
  167   2HG1  VAL  27          2HG1      VAL  27  -9.877  14.333  -1.264
  168   3HG1  VAL  27          3HG1      VAL  27  -9.312  13.420   0.135
  169   1HG2  VAL  27          1HG2      VAL  27 -11.558  10.508  -0.955
  170   2HG2  VAL  27          2HG2      VAL  27 -11.566  11.692   0.352
  171   3HG2  VAL  27          3HG2      VAL  27 -10.160  10.655   0.109
  172    H    ASN  28           H        ASN  28 -12.512  14.348  -3.753
  173    HA   ASN  28           HA       ASN  28 -11.857  16.096  -5.206
  174   1HB   ASN  28          2HB       ASN  28 -10.300  16.457  -3.232
  175   2HB   ASN  28          1HB       ASN  28  -9.091  15.516  -4.105
  176   1HD2  ASN  28          1HD2      ASN  28  -8.294  16.410  -6.183
  177   2HD2  ASN  28          2HD2      ASN  28  -8.425  18.073  -6.499
  178    H    GLY  29           H        GLY  29 -11.352  12.991  -5.688
  179   1HA   GLY  29          2HA       GLY  29 -11.094  12.083  -7.937
  180   2HA   GLY  29          1HA       GLY  29 -10.012  13.425  -8.313
  181    H    PHE  30           H        PHE  30  -9.814  11.549  -5.334
  182    HA   PHE  30           HA       PHE  30  -7.420  10.117  -6.372
  183   1HB   PHE  30          2HB       PHE  30  -7.535  12.075  -4.073
  184   2HB   PHE  30          1HB       PHE  30  -6.186  10.960  -4.321
  185    HD1  PHE  30           HD1      PHE  30  -7.783  14.034  -5.394
  186    HD2  PHE  30           HD2      PHE  30  -4.904  11.041  -6.472
  187    HE1  PHE  30           HE1      PHE  30  -6.838  15.566  -7.090
  188    HE2  PHE  30           HE2      PHE  30  -3.946  12.578  -8.177
  189    HZ   PHE  30           HZ       PHE  30  -4.914  14.843  -8.484
  190    H    LEU  31           H        LEU  31  -6.895   8.262  -5.223
  191    HA   LEU  31           HA       LEU  31  -8.840   7.433  -3.089
  192   1HB   LEU  31          2HB       LEU  31  -7.415   6.004  -5.332
  193   2HB   LEU  31          1HB       LEU  31  -7.883   5.097  -3.894
  194    HG   LEU  31           HG       LEU  31  -9.679   6.560  -5.833
  195   1HD1  LEU  31          1HD1      LEU  31 -10.749   4.139  -5.446
  196   2HD1  LEU  31          2HD1      LEU  31  -9.085   3.755  -5.004
  197   3HD1  LEU  31          3HD1      LEU  31  -9.448   4.397  -6.609
  198   1HD2  LEU  31          1HD2      LEU  31 -11.501   5.722  -4.194
  199   2HD2  LEU  31          2HD2      LEU  31 -10.606   7.168  -3.724
  200   3HD2  LEU  31          3HD2      LEU  31 -10.201   5.609  -3.007
  201    H    SER  32           H        SER  32  -7.814   6.153  -1.332
  202    HA   SER  32           HA       SER  32  -4.970   6.976  -0.962
  203   1HB   SER  32          2HB       SER  32  -5.459   6.880   1.377
  204   2HB   SER  32          1HB       SER  32  -6.875   7.619   0.636
  205    HG   SER  32           HG       SER  32  -7.503   5.209   0.480
  206    H    GLY  33           H        GLY  33  -3.395   5.414  -0.535
  207   1HA   GLY  33          2HA       GLY  33  -3.550   2.860  -1.601
  208   2HA   GLY  33          1HA       GLY  33  -2.504   3.243  -0.233
  209    H    ASP  34           H        ASP  34  -4.938   4.002   1.372
  210    HA   ASP  34           HA       ASP  34  -5.415   1.440   2.622
  211   1HB   ASP  34          2HB       ASP  34  -5.370   3.608   3.798
  212   2HB   ASP  34          1HB       ASP  34  -6.778   4.141   2.879
  213    H    LYS  35           H        LYS  35  -7.049   3.266   0.102
  214    HA   LYS  35           HA       LYS  35  -9.498   1.603   0.319
  215   1HB   LYS  35          2HB       LYS  35  -8.582   4.011  -1.270
  216   2HB   LYS  35          1HB       LYS  35 -10.078   3.170  -1.670
  217   1HG   LYS  35          2HG       LYS  35 -10.992   3.598   0.522
  218   2HG   LYS  35          1HG       LYS  35  -9.449   4.229   1.096
  219   1HD   LYS  35          2HD       LYS  35  -9.700   5.938  -0.863
  220   2HD   LYS  35          1HD       LYS  35 -11.405   5.484  -0.816
  221   1HE   LYS  35          2HE       LYS  35 -11.632   7.003   0.860
  222   2HE   LYS  35          1HE       LYS  35 -10.706   5.880   1.877
  223   1HZ   LYS  35          1HZ       LYS  35  -9.293   7.618  -0.030
  224   2HZ   LYS  35          2HZ       LYS  35  -8.732   6.939   1.423
  225   3HZ   LYS  35          3HZ       LYS  35  -9.796   8.263   1.455
  226    H    VAL  36           H        VAL  36  -6.701   2.216  -1.733
  227    HA   VAL  36           HA       VAL  36  -7.520   0.384  -3.857
  228    HB   VAL  36           HB       VAL  36  -4.910   1.708  -3.075
  229   1HG1  VAL  36          1HG1      VAL  36  -5.226   0.998  -5.875
  230   2HG1  VAL  36          2HG1      VAL  36  -5.315  -0.428  -4.841
  231   3HG1  VAL  36          3HG1      VAL  36  -3.903   0.624  -4.772
  232   1HG2  VAL  36          1HG2      VAL  36  -6.874   3.178  -3.669
  233   2HG2  VAL  36          2HG2      VAL  36  -6.889   2.412  -5.260
  234   3HG2  VAL  36          3HG2      VAL  36  -5.488   3.352  -4.746
  235    H    LYS  37           H        LYS  37  -5.221   0.277  -1.134
  236    HA   LYS  37           HA       LYS  37  -3.843  -2.052  -1.510
  237   1HB   LYS  37          2HB       LYS  37  -3.512  -0.809   0.479
  238   2HB   LYS  37          1HB       LYS  37  -5.216  -0.887   0.915
  239   1HG   LYS  37          2HG       LYS  37  -4.981  -2.903   1.928
  240   2HG   LYS  37          1HG       LYS  37  -3.952  -3.528   0.638
  241   1HD   LYS  37          2HD       LYS  37  -2.012  -2.412   1.550
  242   2HD   LYS  37          1HD       LYS  37  -3.000  -1.556   2.732
  243   1HE   LYS  37          2HE       LYS  37  -3.556  -3.652   3.859
  244   2HE   LYS  37          1HE       LYS  37  -2.683  -4.578   2.621
  245   1HZ   LYS  37          1HZ       LYS  37  -1.496  -2.467   4.346
  246   2HZ   LYS  37          2HZ       LYS  37  -0.671  -3.367   3.166
  247   3HZ   LYS  37          3HZ       LYS  37  -1.275  -4.135   4.556
  248    HA   PRO  38           HA       PRO  38  -7.509  -4.789   0.005
  249   1HB   PRO  38          2HB       PRO  38  -9.988  -3.614   0.016
  250   2HB   PRO  38          1HB       PRO  38  -8.927  -3.656   1.439
  251   1HG   PRO  38          2HG       PRO  38  -9.367  -1.458  -0.530
  252   2HG   PRO  38          1HG       PRO  38  -9.232  -1.378   1.235
  253   1HD   PRO  38          2HD       PRO  38  -7.184  -0.720  -0.373
  254   2HD   PRO  38          1HD       PRO  38  -6.928  -1.506   1.201
  255    H    VAL  39           H        VAL  39  -8.182  -2.254  -2.366
  256    HA   VAL  39           HA       VAL  39  -9.877  -3.733  -4.134
  257    HB   VAL  39           HB       VAL  39  -8.081  -1.343  -4.190
  258   1HG1  VAL  39          1HG1      VAL  39  -8.295  -0.979  -6.542
  259   2HG1  VAL  39          2HG1      VAL  39  -9.371  -2.363  -6.729
  260   3HG1  VAL  39          3HG1      VAL  39  -7.665  -2.611  -6.360
  261   1HG2  VAL  39          1HG2      VAL  39 -10.380  -1.121  -3.435
  262   2HG2  VAL  39          2HG2      VAL  39 -10.974  -1.876  -4.913
  263   3HG2  VAL  39          3HG2      VAL  39 -10.203  -0.291  -4.980
  264    H    LEU  40           H        LEU  40  -6.376  -3.501  -3.766
  265    HA   LEU  40           HA       LEU  40  -5.842  -5.183  -6.124
  266   1HB   LEU  40          2HB       LEU  40  -4.044  -4.097  -3.933
  267   2HB   LEU  40          1HB       LEU  40  -3.539  -4.660  -5.528
  268    HG   LEU  40           HG       LEU  40  -5.517  -2.410  -5.147
  269   1HD1  LEU  40          1HD1      LEU  40  -3.353  -1.110  -5.968
  270   2HD1  LEU  40          2HD1      LEU  40  -2.531  -2.435  -5.141
  271   3HD1  LEU  40          3HD1      LEU  40  -3.657  -1.402  -4.256
  272   1HD2  LEU  40          1HD2      LEU  40  -4.713  -1.940  -7.509
  273   2HD2  LEU  40          2HD2      LEU  40  -5.646  -3.427  -7.305
  274   3HD2  LEU  40          3HD2      LEU  40  -3.888  -3.500  -7.442
  275    H    LEU  41           H        LEU  41  -6.000  -5.473  -2.622
  276    HA   LEU  41           HA       LEU  41  -4.688  -8.036  -2.426
  277   1HB   LEU  41          2HB       LEU  41  -6.617  -6.439  -0.726
  278   2HB   LEU  41          1HB       LEU  41  -5.964  -7.990  -0.201
  279    HG   LEU  41           HG       LEU  41  -4.200  -5.705  -1.097
  280   1HD1  LEU  41          1HD1      LEU  41  -5.308  -4.817   0.806
  281   2HD1  LEU  41          2HD1      LEU  41  -3.811  -5.498   1.446
  282   3HD1  LEU  41          3HD1      LEU  41  -5.328  -6.381   1.623
  283   1HD2  LEU  41          1HD2      LEU  41  -3.815  -8.462  -0.366
  284   2HD2  LEU  41          2HD2      LEU  41  -3.013  -7.430   0.820
  285   3HD2  LEU  41          3HD2      LEU  41  -2.610  -7.286  -0.892
  286    H    ASN  42           H        ASN  42  -7.718  -6.979  -3.606
  287    HA   ASN  42           HA       ASN  42  -9.078  -9.535  -3.070
  288   1HB   ASN  42          2HB       ASN  42  -9.806  -6.888  -4.333
  289   2HB   ASN  42          1HB       ASN  42 -10.914  -8.261  -4.360
  290   1HD2  ASN  42          1HD2      ASN  42 -12.262  -6.684  -2.954
  291   2HD2  ASN  42          2HD2      ASN  42 -11.971  -6.698  -1.282
  292    H    SER  43           H        SER  43  -6.925  -8.374  -5.354
  293    HA   SER  43           HA       SER  43  -8.112  -9.596  -7.747
  294   1HB   SER  43          2HB       SER  43  -5.236  -8.817  -7.505
  295   2HB   SER  43          1HB       SER  43  -6.365  -8.520  -8.823
  296    HG   SER  43           HG       SER  43  -5.805  -7.028  -6.596
  297    H    LYS  44           H        LYS  44  -7.159 -11.150  -5.149
  298    HA   LYS  44           HA       LYS  44  -6.245 -13.290  -4.745
  299   1HB   LYS  44          2HB       LYS  44  -7.555 -14.258  -6.381
  300   2HB   LYS  44          1HB       LYS  44  -7.005 -13.147  -7.628
  301   1HG   LYS  44          2HG       LYS  44  -4.846 -14.352  -7.743
  302   2HG   LYS  44          1HG       LYS  44  -5.411 -15.472  -6.503
  303   1HD   LYS  44          2HD       LYS  44  -7.245 -16.198  -7.960
  304   2HD   LYS  44          1HD       LYS  44  -6.747 -15.035  -9.191
  305   1HE   LYS  44          2HE       LYS  44  -5.696 -16.985  -9.960
  306   2HE   LYS  44          1HE       LYS  44  -4.410 -16.290  -8.955
  307   1HZ   LYS  44          1HZ       LYS  44  -4.640 -18.451  -8.146
  308   2HZ   LYS  44          2HZ       LYS  44  -6.335 -18.426  -8.261
  309   3HZ   LYS  44          3HZ       LYS  44  -5.550 -17.525  -7.054
  310    H    LEU  45           H        LEU  45  -4.586 -10.790  -5.859
  311    HA   LEU  45           HA       LEU  45  -2.110 -12.242  -6.651
  312   1HB   LEU  45          2HB       LEU  45  -3.181  -9.437  -6.786
  313   2HB   LEU  45          1HB       LEU  45  -1.441  -9.699  -6.894
  314    HG   LEU  45           HG       LEU  45  -3.513 -11.024  -8.664
  315   1HD1  LEU  45          1HD1      LEU  45  -2.918  -9.477 -10.341
  316   2HD1  LEU  45          2HD1      LEU  45  -1.446  -8.999  -9.501
  317   3HD1  LEU  45          3HD1      LEU  45  -3.015  -8.480  -8.891
  318   1HD2  LEU  45          1HD2      LEU  45  -0.677 -10.964  -9.460
  319   2HD2  LEU  45          2HD2      LEU  45  -1.829 -12.300  -9.510
  320   3HD2  LEU  45          3HD2      LEU  45  -0.982 -11.919  -8.009
  321    HA   PRO  46           HA       PRO  46  -0.342 -11.610  -2.689
  322   1HB   PRO  46          2HB       PRO  46   2.305 -11.653  -3.372
  323   2HB   PRO  46          1HB       PRO  46   1.294 -13.110  -3.347
  324   1HG   PRO  46          2HG       PRO  46   2.211 -11.489  -5.647
  325   2HG   PRO  46          1HG       PRO  46   1.956 -13.235  -5.521
  326   1HD   PRO  46          2HD       PRO  46   0.207 -11.477  -6.719
  327   2HD   PRO  46          1HD       PRO  46  -0.237 -13.078  -6.096
  328    H    VAL  47           H        VAL  47   1.435 -10.047  -1.690
  329    HA   VAL  47           HA       VAL  47   0.726  -7.337  -2.427
  330    HB   VAL  47           HB       VAL  47   2.330  -8.803  -0.393
  331   1HG1  VAL  47          1HG1      VAL  47   2.863  -5.910  -1.106
  332   2HG1  VAL  47          2HG1      VAL  47   4.034  -7.227  -1.041
  333   3HG1  VAL  47          3HG1      VAL  47   3.300  -6.626   0.444
  334   1HG2  VAL  47          1HG2      VAL  47  -0.042  -8.047  -0.109
  335   2HG2  VAL  47          2HG2      VAL  47   0.526  -6.380  -0.203
  336   3HG2  VAL  47          3HG2      VAL  47   1.049  -7.416   1.124
  337    H    ASP  48           H        ASP  48   2.871  -9.529  -3.787
  338    HA   ASP  48           HA       ASP  48   5.050  -7.670  -4.357
  339   1HB   ASP  48          2HB       ASP  48   4.344 -10.369  -5.559
  340   2HB   ASP  48          1HB       ASP  48   5.923  -9.583  -5.613
  341    H    ILE  49           H        ILE  49   2.108  -8.807  -5.903
  342    HA   ILE  49           HA       ILE  49   2.783  -7.477  -8.449
  343    HB   ILE  49           HB       ILE  49   0.082  -8.564  -7.694
  344   1HG1  ILE  49          2HG1      ILE  49   1.638 -10.270  -6.890
  345   2HG1  ILE  49          1HG1      ILE  49   0.879 -10.826  -8.379
  346   1HG2  ILE  49          1HG2      ILE  49   0.546  -9.438 -10.161
  347   2HG2  ILE  49          2HG2      ILE  49   1.726  -8.126 -10.148
  348   3HG2  ILE  49          3HG2      ILE  49   0.021  -7.781  -9.864
  349   1HD1  ILE  49          1HD1      ILE  49   2.852 -10.049  -9.658
  350   2HD1  ILE  49          2HD1      ILE  49   3.279 -11.268  -8.457
  351   3HD1  ILE  49          3HD1      ILE  49   3.623  -9.565  -8.147
  352    H    LEU  50           H        LEU  50   0.630  -7.122  -5.681
  353    HA   LEU  50           HA       LEU  50  -0.674  -4.708  -6.661
  354   1HB   LEU  50          2HB       LEU  50  -0.372  -5.678  -3.815
  355   2HB   LEU  50          1HB       LEU  50  -1.693  -4.734  -4.496
  356    HG   LEU  50           HG       LEU  50  -1.020  -7.604  -5.193
  357   1HD1  LEU  50          1HD1      LEU  50  -3.267  -6.345  -3.608
  358   2HD1  LEU  50          2HD1      LEU  50  -2.026  -7.440  -3.000
  359   3HD1  LEU  50          3HD1      LEU  50  -3.250  -8.031  -4.127
  360   1HD2  LEU  50          1HD2      LEU  50  -2.471  -7.470  -6.933
  361   2HD2  LEU  50          2HD2      LEU  50  -2.225  -5.729  -6.815
  362   3HD2  LEU  50          3HD2      LEU  50  -3.607  -6.481  -6.017
  363    H    GLY  51           H        GLY  51   2.200  -5.536  -4.836
  364   1HA   GLY  51          2HA       GLY  51   2.670  -2.832  -3.837
  365   2HA   GLY  51          1HA       GLY  51   3.844  -4.157  -3.834
  366    H    ARG  52           H        ARG  52   3.148  -4.595  -6.730
  367    HA   ARG  52           HA       ARG  52   5.051  -2.613  -7.864
  368   1HB   ARG  52          2HB       ARG  52   4.432  -5.420  -8.123
  369   2HB   ARG  52          1HB       ARG  52   4.314  -4.634  -9.694
  370   1HG   ARG  52          2HG       ARG  52   6.567  -3.611  -9.281
  371   2HG   ARG  52          1HG       ARG  52   6.689  -4.592  -7.819
  372   1HD   ARG  52          2HD       ARG  52   5.879  -6.260 -10.038
  373   2HD   ARG  52          1HD       ARG  52   7.369  -5.387 -10.440
  374    HE   ARG  52           HE       ARG  52   7.456  -6.405  -7.734
  375   1HH1  ARG  52          1HH2      ARG  52   6.971  -7.989 -10.658
  376   2HH1  ARG  52          2HH2      ARG  52   8.384  -8.986 -10.555
  377   1HH2  ARG  52          2HH1      ARG  52   9.644  -7.368  -7.759
  378   2HH2  ARG  52          1HH1      ARG  52   9.896  -8.634  -8.914
  379    H    VAL  53           H        VAL  53   1.759  -3.899  -8.193
  380    HA   VAL  53           HA       VAL  53   1.135  -2.489 -10.649
  381    HB   VAL  53           HB       VAL  53  -0.408  -3.776  -8.391
  382   1HG1  VAL  53          1HG1      VAL  53  -2.145  -3.344 -10.582
  383   2HG1  VAL  53          2HG1      VAL  53  -1.378  -1.790 -10.251
  384   3HG1  VAL  53          3HG1      VAL  53  -2.258  -2.629  -8.973
  385   1HG2  VAL  53          1HG2      VAL  53  -0.813  -4.671 -11.160
  386   2HG2  VAL  53          2HG2      VAL  53  -0.358  -5.608  -9.733
  387   3HG2  VAL  53          3HG2      VAL  53   0.878  -4.752 -10.657
  388    H    TRP  54           H        TRP  54   1.054  -1.732  -7.220
  389    HA   TRP  54           HA       TRP  54  -0.429   0.764  -7.527
  390   1HB   TRP  54          2HB       TRP  54  -0.522  -0.254  -5.381
  391   2HB   TRP  54          1HB       TRP  54   1.221  -0.547  -5.354
  392    HD1  TRP  54           HD1      TRP  54   2.807   1.686  -5.190
  393    HE1  TRP  54           HE1      TRP  54   2.387   3.923  -4.025
  394    HE3  TRP  54           HE3      TRP  54  -2.244   1.395  -4.564
  395    HZ2  TRP  54           HZ2      TRP  54   0.183   5.401  -2.919
  396    HZ3  TRP  54           HZ3      TRP  54  -3.482   3.223  -3.429
  397    HH2  TRP  54           HH2      TRP  54  -2.276   5.218  -2.614
  398    H    GLU  55           H        GLU  55   3.012   0.024  -6.756
  399    HA   GLU  55           HA       GLU  55   3.993   2.648  -6.843
  400   1HB   GLU  55          2HB       GLU  55   5.241   0.041  -7.739
  401   2HB   GLU  55          1HB       GLU  55   6.146   1.523  -7.415
  402   1HG   GLU  55          2HG       GLU  55   4.256   0.537  -5.324
  403   2HG   GLU  55          1HG       GLU  55   5.798  -0.300  -5.513
  404    H    LEU  56           H        LEU  56   4.063   0.351  -9.592
  405    HA   LEU  56           HA       LEU  56   4.825   2.284 -11.550
  406   1HB   LEU  56          2HB       LEU  56   3.117  -0.223 -11.806
  407   2HB   LEU  56          1HB       LEU  56   3.967   0.574 -13.130
  408    HG   LEU  56           HG       LEU  56   5.590  -0.174 -10.743
  409   1HD1  LEU  56          1HD1      LEU  56   5.239  -2.320 -12.761
  410   2HD1  LEU  56          2HD1      LEU  56   3.884  -2.081 -11.657
  411   3HD1  LEU  56          3HD1      LEU  56   5.488  -2.442 -11.018
  412   1HD2  LEU  56          1HD2      LEU  56   6.428  -0.893 -13.486
  413   2HD2  LEU  56          2HD2      LEU  56   7.304   0.007 -12.249
  414   3HD2  LEU  56          3HD2      LEU  56   6.109   0.825 -13.255
  415    H    SER  57           H        SER  57   1.891   1.810  -9.825
  416    HA   SER  57           HA       SER  57   0.181   3.194 -11.807
  417   1HB   SER  57          2HB       SER  57  -0.955   1.479 -10.730
  418   2HB   SER  57          1HB       SER  57  -0.121   1.745  -9.203
  419    HG   SER  57           HG       SER  57  -1.952   3.575 -10.368
  420    H    ASP  58           H        ASP  58   1.574   3.702  -8.570
  421    HA   ASP  58           HA       ASP  58   0.374   6.251  -8.043
  422   1HB   ASP  58          2HB       ASP  58   1.973   4.381  -6.765
  423   2HB   ASP  58          1HB       ASP  58   3.048   5.771  -6.938
  424    H    ILE  59           H        ILE  59   0.640   7.689  -9.807
  425    HA   ILE  59           HA       ILE  59   3.170   8.068 -11.170
  426    HB   ILE  59           HB       ILE  59   0.747   9.880 -10.958
  427   1HG1  ILE  59          2HG1      ILE  59   0.280   7.446 -11.594
  428   2HG1  ILE  59          1HG1      ILE  59  -0.222   8.650 -12.777
  429   1HG2  ILE  59          1HG2      ILE  59   3.213   9.846 -12.566
  430   2HG2  ILE  59          2HG2      ILE  59   2.110  11.178 -12.225
  431   3HG2  ILE  59          3HG2      ILE  59   1.738  10.032 -13.515
  432   1HD1  ILE  59          1HD1      ILE  59   0.899   6.917 -13.999
  433   2HD1  ILE  59          2HD1      ILE  59   2.245   6.894 -12.857
  434   3HD1  ILE  59          3HD1      ILE  59   2.018   8.279 -13.928
  435    H    ASP  60           H        ASP  60   1.582   9.555  -8.392
  436    HA   ASP  60           HA       ASP  60   3.834  11.505  -8.131
  437   1HB   ASP  60          2HB       ASP  60   2.211  12.565  -6.504
  438   2HB   ASP  60          1HB       ASP  60   1.616  12.475  -8.161
  439    H    HIS  61           H        HIS  61   2.701   8.535  -6.950
  440    HA   HIS  61           HA       HIS  61   3.272   7.227  -5.072
  441   1HB   HIS  61          2HB       HIS  61   5.732   8.649  -4.424
  442   2HB   HIS  61          1HB       HIS  61   5.529   7.025  -5.067
  443    HD1  HIS  61           HD1      HIS  61   6.232  10.550  -6.077
  444    HD2  HIS  61           HD2      HIS  61   5.669   6.862  -7.937
  445    HE1  HIS  61           HE1      HIS  61   6.992  10.836  -8.476
  446    H    ASP  62           H        ASP  62   1.470   9.163  -4.341
  447    HA   ASP  62           HA       ASP  62   2.607  10.356  -1.836
  448   1HB   ASP  62          2HB       ASP  62   0.644  11.879  -2.039
  449   2HB   ASP  62          1HB       ASP  62   1.658  11.926  -3.482
  450    H    GLY  63           H        GLY  63   1.473   7.547  -2.494
  451   1HA   GLY  63          2HA       GLY  63   0.337   5.961  -1.169
  452   2HA   GLY  63          1HA       GLY  63  -0.002   7.244  -0.007
  453    H    MET  64           H        MET  64  -0.816   7.466  -3.445
  454    HA   MET  64           HA       MET  64  -3.674   6.905  -2.834
  455   1HB   MET  64          2HB       MET  64  -2.464   9.552  -3.599
  456   2HB   MET  64          1HB       MET  64  -4.162   9.199  -3.905
  457   1HG   MET  64          2HG       MET  64  -4.547   8.783  -1.550
  458   2HG   MET  64          1HG       MET  64  -2.826   8.987  -1.201
  459   1HE   MET  64          1HE       MET  64  -5.650  10.702  -0.070
  460   2HE   MET  64          2HE       MET  64  -6.160  10.295  -1.706
  461   3HE   MET  64          3HE       MET  64  -6.074  11.984  -1.213
  462    H    LEU  65           H        LEU  65  -5.014   6.847  -4.790
  463    HA   LEU  65           HA       LEU  65  -3.490   6.569  -7.360
  464   1HB   LEU  65          2HB       LEU  65  -5.440   4.724  -5.979
  465   2HB   LEU  65          1HB       LEU  65  -5.235   4.657  -7.728
  466    HG   LEU  65           HG       LEU  65  -3.134   4.170  -5.607
  467   1HD1  LEU  65          1HD1      LEU  65  -3.382   2.278  -7.803
  468   2HD1  LEU  65          2HD1      LEU  65  -4.924   2.495  -6.973
  469   3HD1  LEU  65          3HD1      LEU  65  -3.496   1.989  -6.067
  470   1HD2  LEU  65          1HD2      LEU  65  -1.999   5.454  -7.274
  471   2HD2  LEU  65          2HD2      LEU  65  -2.861   4.647  -8.584
  472   3HD2  LEU  65          3HD2      LEU  65  -1.644   3.770  -7.655
  473    H    ASP  66           H        ASP  66  -4.333   8.513  -8.275
  474    HA   ASP  66           HA       ASP  66  -7.101   9.303  -7.975
  475   1HB   ASP  66          2HB       ASP  66  -6.458  11.102  -9.387
  476   2HB   ASP  66          1HB       ASP  66  -4.993  10.692  -8.498
  477    H    ARG  67           H        ARG  67  -8.663   9.426  -9.763
  478    HA   ARG  67           HA       ARG  67  -9.516   7.139 -10.939
  479   1HB   ARG  67          2HB       ARG  67 -10.377   8.641 -12.807
  480   2HB   ARG  67          1HB       ARG  67 -10.728   9.191 -11.170
  481   1HG   ARG  67          2HG       ARG  67  -8.354  10.413 -11.520
  482   2HG   ARG  67          1HG       ARG  67  -8.878  10.340 -13.201
  483   1HD   ARG  67          2HD       ARG  67 -11.085  11.355 -12.466
  484   2HD   ARG  67          1HD       ARG  67 -10.344  11.628 -10.877
  485    HE   ARG  67           HE       ARG  67  -9.378  12.839 -13.433
  486   1HH1  ARG  67          1HH2      ARG  67  -7.281  12.387 -11.296
  487   2HH1  ARG  67          2HH2      ARG  67  -7.304  13.908 -10.464
  488   1HH2  ARG  67          2HH1      ARG  67 -10.346  14.895 -11.809
  489   2HH2  ARG  67          1HH1      ARG  67  -9.041  15.329 -10.755
  490    H    ASP  68           H        ASP  68  -7.025   9.222 -12.422
  491    HA   ASP  68           HA       ASP  68  -6.633   7.419 -14.690
  492   1HB   ASP  68          2HB       ASP  68  -4.732   9.546 -13.688
  493   2HB   ASP  68          1HB       ASP  68  -5.034   9.050 -15.353
  494    H    GLU  69           H        GLU  69  -5.075   8.000 -11.577
  495    HA   GLU  69           HA       GLU  69  -2.767   6.316 -12.011
  496   1HB   GLU  69          2HB       GLU  69  -3.909   8.035 -10.036
  497   2HB   GLU  69          1HB       GLU  69  -3.576   6.486  -9.259
  498   1HG   GLU  69          2HG       GLU  69  -1.312   6.650  -9.581
  499   2HG   GLU  69          1HG       GLU  69  -1.487   7.579 -11.069
  500    H    PHE  70           H        PHE  70  -5.856   5.865 -10.319
  501    HA   PHE  70           HA       PHE  70  -5.506   3.146  -9.545
  502   1HB   PHE  70          2HB       PHE  70  -7.220   4.915  -8.842
  503   2HB   PHE  70          1HB       PHE  70  -8.071   4.551 -10.341
  504    HD1  PHE  70           HD1      PHE  70  -7.410   3.506  -6.948
  505    HD2  PHE  70           HD2      PHE  70  -8.847   2.176 -10.770
  506    HE1  PHE  70           HE1      PHE  70  -8.489   1.555  -5.863
  507    HE2  PHE  70           HE2      PHE  70  -9.924   0.226  -9.686
  508    HZ   PHE  70           HZ       PHE  70  -9.744  -0.082  -7.234
  509    H    ALA  71           H        ALA  71  -5.959   4.593 -12.630
  510    HA   ALA  71           HA       ALA  71  -7.293   2.310 -13.894
  511   1HB   ALA  71          1HB       ALA  71  -7.194   4.878 -14.497
  512   2HB   ALA  71          2HB       ALA  71  -7.232   3.686 -15.796
  513   3HB   ALA  71          3HB       ALA  71  -5.701   4.426 -15.324
  514    H    VAL  72           H        VAL  72  -3.996   3.664 -13.891
  515    HA   VAL  72           HA       VAL  72  -2.768   1.707 -15.557
  516    HB   VAL  72           HB       VAL  72  -1.675   3.240 -13.168
  517   1HG1  VAL  72          1HG1      VAL  72  -0.461   1.276 -14.769
  518   2HG1  VAL  72          2HG1      VAL  72   0.352   2.407 -13.689
  519   3HG1  VAL  72          3HG1      VAL  72   0.139   2.814 -15.391
  520   1HG2  VAL  72          1HG2      VAL  72  -1.477   4.036 -16.075
  521   2HG2  VAL  72          2HG2      VAL  72  -1.226   5.039 -14.644
  522   3HG2  VAL  72          3HG2      VAL  72  -2.856   4.524 -15.090
  523    H    ALA  73           H        ALA  73  -3.692   1.686 -12.173
  524    HA   ALA  73           HA       ALA  73  -2.270  -0.846 -11.599
  525   1HB   ALA  73          1HB       ALA  73  -2.695   1.305 -10.141
  526   2HB   ALA  73          2HB       ALA  73  -2.751  -0.289  -9.383
  527   3HB   ALA  73          3HB       ALA  73  -4.250   0.536  -9.816
  528    H    MET  74           H        MET  74  -5.206  -0.076 -13.069
  529    HA   MET  74           HA       MET  74  -6.744  -2.242 -11.777
  530   1HB   MET  74          2HB       MET  74  -7.175  -0.061 -13.781
  531   2HB   MET  74          1HB       MET  74  -8.269  -1.443 -13.829
  532   1HG   MET  74          2HG       MET  74  -7.668  -0.012 -11.245
  533   2HG   MET  74          1HG       MET  74  -8.945   0.544 -12.328
  534   1HE   MET  74          1HE       MET  74  -7.489  -1.546 -10.022
  535   2HE   MET  74          2HE       MET  74  -8.169  -3.169 -10.127
  536   3HE   MET  74          3HE       MET  74  -8.914  -1.977  -9.066
  537    H    PHE  75           H        PHE  75  -5.440  -1.537 -15.026
  538    HA   PHE  75           HA       PHE  75  -6.101  -4.207 -16.002
  539   1HB   PHE  75          2HB       PHE  75  -5.309  -3.369 -18.040
  540   2HB   PHE  75          1HB       PHE  75  -5.785  -1.885 -17.221
  541    HD1  PHE  75           HD1      PHE  75  -2.899  -4.063 -18.070
  542    HD2  PHE  75           HD2      PHE  75  -4.178  -0.248 -16.574
  543    HE1  PHE  75           HE1      PHE  75  -0.575  -3.218 -18.247
  544    HE2  PHE  75           HE2      PHE  75  -1.864   0.599 -16.752
  545    HZ   PHE  75           HZ       PHE  75  -0.055  -0.888 -17.585
  546    H    LEU  76           H        LEU  76  -3.475  -2.658 -14.347
  547    HA   LEU  76           HA       LEU  76  -1.416  -4.611 -14.929
  548   1HB   LEU  76          2HB       LEU  76  -1.921  -2.318 -13.098
  549   2HB   LEU  76          1HB       LEU  76  -0.698  -3.477 -12.578
  550    HG   LEU  76           HG       LEU  76  -0.725  -2.240 -15.339
  551   1HD1  LEU  76          1HD1      LEU  76   1.319  -1.385 -13.385
  552   2HD1  LEU  76          2HD1      LEU  76  -0.313  -0.813 -13.041
  553   3HD1  LEU  76          3HD1      LEU  76   0.445  -0.436 -14.588
  554   1HD2  LEU  76          1HD2      LEU  76   0.568  -4.230 -15.338
  555   2HD2  LEU  76          2HD2      LEU  76   1.206  -3.912 -13.725
  556   3HD2  LEU  76          3HD2      LEU  76   1.751  -2.944 -15.095
  557    H    VAL  77           H        VAL  77  -4.089  -4.351 -12.715
  558    HA   VAL  77           HA       VAL  77  -3.193  -6.637 -11.057
  559    HB   VAL  77           HB       VAL  77  -5.436  -4.614 -11.067
  560   1HG1  VAL  77          1HG1      VAL  77  -6.446  -6.820 -10.507
  561   2HG1  VAL  77          2HG1      VAL  77  -6.419  -5.745  -9.110
  562   3HG1  VAL  77          3HG1      VAL  77  -5.234  -7.043  -9.245
  563   1HG2  VAL  77          1HG2      VAL  77  -2.904  -4.986  -9.739
  564   2HG2  VAL  77          2HG2      VAL  77  -4.193  -4.990  -8.536
  565   3HG2  VAL  77          3HG2      VAL  77  -4.010  -3.619  -9.628
  566    H    TYR  78           H        TYR  78  -5.313  -5.946 -13.746
  567    HA   TYR  78           HA       TYR  78  -6.866  -8.432 -13.460
  568   1HB   TYR  78          2HB       TYR  78  -6.834  -5.963 -15.046
  569   2HB   TYR  78          1HB       TYR  78  -7.247  -7.384 -16.005
  570    HD1  TYR  78           HD1      TYR  78  -8.583  -4.862 -13.995
  571    HD2  TYR  78           HD2      TYR  78  -8.910  -9.085 -14.719
  572    HE1  TYR  78           HE1      TYR  78 -10.865  -4.849 -13.024
  573    HE2  TYR  78           HE2      TYR  78 -11.194  -9.070 -13.747
  574    HH   TYR  78           HH       TYR  78 -13.008  -6.417 -13.344
  575    H    CYS  79           H        CYS  79  -4.012  -7.290 -15.123
  576    HA   CYS  79           HA       CYS  79  -3.896  -9.526 -17.017
  577   1HB   CYS  79          2HB       CYS  79  -2.445  -7.038 -16.356
  578   2HB   CYS  79          1HB       CYS  79  -1.417  -8.337 -16.961
  579    HG   CYS  79           HG       CYS  79  -3.703  -6.969 -18.563
  580    H    ALA  80           H        ALA  80  -2.962  -8.936 -13.743
  581    HA   ALA  80           HA       ALA  80  -0.856 -10.999 -13.723
  582   1HB   ALA  80          1HB       ALA  80  -2.003  -8.931 -11.930
  583   2HB   ALA  80          2HB       ALA  80  -0.319  -9.403 -12.161
  584   3HB   ALA  80          3HB       ALA  80  -1.370 -10.366 -11.122
  585    H    LEU  81           H        LEU  81  -4.221 -10.889 -13.607
  586    HA   LEU  81           HA       LEU  81  -4.559 -13.226 -11.827
  587   1HB   LEU  81          2HB       LEU  81  -6.648 -11.932 -13.574
  588   2HB   LEU  81          1HB       LEU  81  -6.858 -12.683 -11.993
  589    HG   LEU  81           HG       LEU  81  -5.725  -9.988 -12.678
  590   1HD1  LEU  81          1HD1      LEU  81  -8.040  -9.946 -12.147
  591   2HD1  LEU  81          2HD1      LEU  81  -7.224  -9.431 -10.671
  592   3HD1  LEU  81          3HD1      LEU  81  -7.832 -11.080 -10.813
  593   1HD2  LEU  81          1HD2      LEU  81  -5.195 -10.015 -10.083
  594   2HD2  LEU  81          2HD2      LEU  81  -4.015 -10.643 -11.233
  595   3HD2  LEU  81          3HD2      LEU  81  -5.057 -11.754 -10.345
  596    H    GLU  82           H        GLU  82  -5.025 -12.320 -15.231
  597    HA   GLU  82           HA       GLU  82  -5.801 -14.965 -16.097
  598   1HB   GLU  82          2HB       GLU  82  -5.005 -12.349 -17.314
  599   2HB   GLU  82          1HB       GLU  82  -5.024 -13.775 -18.351
  600   1HG   GLU  82          2HG       GLU  82  -7.401 -13.785 -16.746
  601   2HG   GLU  82          1HG       GLU  82  -7.243 -12.203 -17.510
  602    H    LYS  83           H        LYS  83  -2.780 -13.091 -16.464
  603    HA   LYS  83           HA       LYS  83  -1.052 -15.319 -15.947
  604   1HB   LYS  83          2HB       LYS  83  -2.304 -15.899 -18.142
  605   2HB   LYS  83          1HB       LYS  83  -1.272 -14.680 -18.882
  606   1HG   LYS  83          2HG       LYS  83   0.687 -15.893 -18.462
  607   2HG   LYS  83          1HG       LYS  83  -0.063 -16.846 -17.182
  608   1HD   LYS  83          2HD       LYS  83  -0.555 -18.449 -18.678
  609   2HD   LYS  83          1HD       LYS  83  -1.560 -17.298 -19.561
  610   1HE   LYS  83          2HE       LYS  83   1.373 -17.026 -19.979
  611   2HE   LYS  83          1HE       LYS  83   0.611 -18.469 -20.677
  612   1HZ   LYS  83          1HZ       LYS  83   0.403 -16.660 -22.227
  613   2HZ   LYS  83          2HZ       LYS  83  -0.268 -15.652 -21.034
  614   3HZ   LYS  83          3HZ       LYS  83  -1.130 -17.006 -21.592
  615    H    GLU  84           H        GLU  84  -1.513 -12.246 -17.624
  616    HA   GLU  84           HA       GLU  84   1.245 -11.598 -18.054
  617   1HB   GLU  84          2HB       GLU  84  -1.367 -10.131 -17.843
  618   2HB   GLU  84          1HB       GLU  84   0.131  -9.206 -17.956
  619   1HG   GLU  84          2HG       GLU  84   0.460 -11.136 -19.911
  620   2HG   GLU  84          1HG       GLU  84  -1.259 -10.758 -20.019
  621    HA   PRO  85           HA       PRO  85   2.087 -10.974 -13.673
  622   1HB   PRO  85          2HB       PRO  85   4.805 -10.828 -13.979
  623   2HB   PRO  85          1HB       PRO  85   3.920 -12.366 -13.907
  624   1HG   PRO  85          2HG       PRO  85   4.981 -10.902 -16.269
  625   2HG   PRO  85          1HG       PRO  85   4.927 -12.642 -15.948
  626   1HD   PRO  85          2HD       PRO  85   3.174 -11.357 -17.600
  627   2HD   PRO  85          1HD       PRO  85   2.789 -12.852 -16.721
  628    H    VAL  86           H        VAL  86   3.974  -9.242 -12.782
  629    HA   VAL  86           HA       VAL  86   3.660  -6.737 -14.390
  630    HB   VAL  86           HB       VAL  86   3.095  -7.133 -11.435
  631   1HG1  VAL  86          1HG1      VAL  86   3.637  -4.919 -11.405
  632   2HG1  VAL  86          2HG1      VAL  86   2.045  -4.712 -12.138
  633   3HG1  VAL  86          3HG1      VAL  86   3.485  -4.759 -13.156
  634   1HG2  VAL  86          1HG2      VAL  86   1.321  -6.761 -13.860
  635   2HG2  VAL  86          2HG2      VAL  86   0.752  -6.468 -12.216
  636   3HG2  VAL  86          3HG2      VAL  86   1.290  -8.080 -12.689
  637    HA   PRO  87           HA       PRO  87   7.922  -6.560 -13.063
  638   1HB   PRO  87          2HB       PRO  87   8.659  -4.561 -14.769
  639   2HB   PRO  87          1HB       PRO  87   8.442  -6.240 -15.300
  640   1HG   PRO  87          2HG       PRO  87   6.726  -3.892 -15.742
  641   2HG   PRO  87          1HG       PRO  87   6.891  -5.369 -16.700
  642   1HD   PRO  87          2HD       PRO  87   4.822  -4.734 -14.879
  643   2HD   PRO  87          1HD       PRO  87   5.095  -6.289 -15.693
  644    H    MET  88           H        MET  88   9.366  -4.372 -12.614
  645    HA   MET  88           HA       MET  88   7.619  -2.641 -10.895
  646   1HB   MET  88          2HB       MET  88  10.611  -3.023 -10.755
  647   2HB   MET  88          1HB       MET  88   9.543  -2.395  -9.503
  648   1HG   MET  88          2HG       MET  88   8.637  -4.526  -9.035
  649   2HG   MET  88          1HG       MET  88   9.189  -5.195 -10.569
  650   1HE   MET  88          1HE       MET  88  11.056  -4.265  -6.720
  651   2HE   MET  88          2HE       MET  88  10.215  -3.143  -7.787
  652   3HE   MET  88          3HE       MET  88  11.974  -3.237  -7.830
  653    H    SER  89           H        SER  89   8.785  -2.481 -13.892
  654    HA   SER  89           HA       SER  89   9.968   0.245 -13.563
  655   1HB   SER  89          2HB       SER  89  10.127  -1.872 -15.698
  656   2HB   SER  89          1HB       SER  89  10.769  -0.247 -15.913
  657    HG   SER  89           HG       SER  89  11.439  -1.974 -13.762
  658    H    LEU  90           H        LEU  90   8.234   1.591 -13.627
  659    HA   LEU  90           HA       LEU  90   5.856   1.382 -15.137
  660   1HB   LEU  90          2HB       LEU  90   7.214   3.263 -13.519
  661   2HB   LEU  90          1HB       LEU  90   6.840   4.103 -15.024
  662    HG   LEU  90           HG       LEU  90   4.841   2.535 -13.374
  663   1HD1  LEU  90          1HD1      LEU  90   5.459   4.550 -12.184
  664   2HD1  LEU  90          2HD1      LEU  90   3.892   4.835 -12.942
  665   3HD1  LEU  90          3HD1      LEU  90   5.356   5.509 -13.660
  666   1HD2  LEU  90          1HD2      LEU  90   4.636   4.205 -15.892
  667   2HD2  LEU  90          2HD2      LEU  90   3.232   3.778 -14.914
  668   3HD2  LEU  90          3HD2      LEU  90   4.190   2.511 -15.682
  669    HA   PRO  91           HA       PRO  91   7.929   1.664 -19.144
  670   1HB   PRO  91          2HB       PRO  91   5.743   0.852 -20.580
  671   2HB   PRO  91          1HB       PRO  91   6.829  -0.285 -19.754
  672   1HG   PRO  91          2HG       PRO  91   4.190   0.782 -18.879
  673   2HG   PRO  91          1HG       PRO  91   4.826  -0.866 -18.763
  674   1HD   PRO  91          2HD       PRO  91   4.778   0.831 -16.657
  675   2HD   PRO  91          1HD       PRO  91   6.049  -0.395 -16.868
  676    HA   PRO  92           HA       PRO  92   6.301   5.495 -20.496
  677   1HB   PRO  92          2HB       PRO  92   6.569   5.383 -23.215
  678   2HB   PRO  92          1HB       PRO  92   7.951   5.543 -22.114
  679   1HG   PRO  92          2HG       PRO  92   6.951   3.152 -23.556
  680   2HG   PRO  92          1HG       PRO  92   8.609   3.618 -23.151
  681   1HD   PRO  92          2HD       PRO  92   7.127   1.723 -21.793
  682   2HD   PRO  92          1HD       PRO  92   8.526   2.590 -21.123
  683    H    ALA  93           H        ALA  93   4.813   2.625 -21.795
  684    HA   ALA  93           HA       ALA  93   2.563   4.058 -23.022
  685   1HB   ALA  93          1HB       ALA  93   3.190   1.160 -22.376
  686   2HB   ALA  93          2HB       ALA  93   3.325   1.949 -23.946
  687   3HB   ALA  93          3HB       ALA  93   1.736   1.667 -23.235
  688    H    LEU  94           H        LEU  94   3.468   3.688 -19.900
  689    HA   LEU  94           HA       LEU  94   0.690   3.210 -18.904
  690   1HB   LEU  94          2HB       LEU  94   3.434   2.483 -18.070
  691   2HB   LEU  94          1HB       LEU  94   2.371   2.978 -16.754
  692    HG   LEU  94           HG       LEU  94   2.155   0.584 -17.046
  693   1HD1  LEU  94          1HD1      LEU  94   0.015   2.446 -17.345
  694   2HD1  LEU  94          2HD1      LEU  94  -0.037   0.833 -16.636
  695   3HD1  LEU  94          3HD1      LEU  94  -0.345   1.048 -18.359
  696   1HD2  LEU  94          1HD2      LEU  94   0.978   0.184 -19.522
  697   2HD2  LEU  94          2HD2      LEU  94   2.650  -0.188 -19.118
  698   3HD2  LEU  94          3HD2      LEU  94   2.251   1.353 -19.875
  699    H    VAL  95           H        VAL  95   2.525   5.780 -19.681
  700    HA   VAL  95           HA       VAL  95   1.707   7.328 -17.240
  701    HB   VAL  95           HB       VAL  95   4.089   7.678 -19.085
  702   1HG1  VAL  95          1HG1      VAL  95   3.232   9.139 -16.570
  703   2HG1  VAL  95          2HG1      VAL  95   3.343   9.817 -18.195
  704   3HG1  VAL  95          3HG1      VAL  95   4.807   9.324 -17.344
  705   1HG2  VAL  95          1HG2      VAL  95   5.315   6.452 -17.606
  706   2HG2  VAL  95          2HG2      VAL  95   3.752   5.787 -17.128
  707   3HG2  VAL  95          3HG2      VAL  95   4.463   7.115 -16.209
  708    HA   PRO  96           HA       PRO  96  -0.582   9.368 -20.547
  709   1HB   PRO  96          2HB       PRO  96  -2.356  10.603 -18.870
  710   2HB   PRO  96          1HB       PRO  96  -2.529   8.909 -19.372
  711   1HG   PRO  96          2HG       PRO  96  -1.504  10.029 -16.818
  712   2HG   PRO  96          1HG       PRO  96  -2.479   8.580 -17.105
  713   1HD   PRO  96          2HD       PRO  96   0.221   8.547 -16.619
  714   2HD   PRO  96          1HD       PRO  96  -0.652   7.276 -17.503
  715    HA   PRO  97           HA       PRO  97   1.223  13.372 -20.232
  716   1HB   PRO  97          2HB       PRO  97  -0.704  15.018 -21.272
  717   2HB   PRO  97          1HB       PRO  97   0.261  13.912 -22.271
  718   1HG   PRO  97          2HG       PRO  97  -2.517  13.601 -21.249
  719   2HG   PRO  97          1HG       PRO  97  -1.835  13.150 -22.820
  720   1HD   PRO  97          2HD       PRO  97  -2.297  11.359 -20.819
  721   2HD   PRO  97          1HD       PRO  97  -1.022  11.152 -22.040
  722    H    SER  98           H        SER  98   0.735  15.678 -19.367
  723    HA   SER  98           HA       SER  98  -0.117  17.106 -17.684
  724   1HB   SER  98          2HB       SER  98  -2.274  15.704 -18.247
  725   2HB   SER  98          1HB       SER  98  -1.909  14.887 -16.730
  726    HG   SER  98           HG       SER  98  -1.798  17.070 -15.817
  727    H    LYS  99           H        LYS  99   0.614  13.732 -16.939
  728    HA   LYS  99           HA       LYS  99   1.475  14.426 -14.204
  729   1HB   LYS  99          2HB       LYS  99   1.600  11.864 -15.840
  730   2HB   LYS  99          1HB       LYS  99   1.915  11.987 -14.109
  731   1HG   LYS  99          2HG       LYS  99  -0.647  13.175 -14.921
  732   2HG   LYS  99          1HG       LYS  99  -0.544  11.440 -15.228
  733   1HD   LYS  99          2HD       LYS  99   0.009  10.990 -12.923
  734   2HD   LYS  99          1HD       LYS  99   0.181  12.711 -12.575
  735   1HE   LYS  99          2HE       LYS  99  -2.374  12.595 -13.616
  736   2HE   LYS  99          1HE       LYS  99  -2.263  11.079 -12.698
  737   1HZ   LYS  99          1HZ       LYS  99  -2.830  13.318 -11.491
  738   2HZ   LYS  99          2HZ       LYS  99  -1.143  13.521 -11.522
  739   3HZ   LYS  99          3HZ       LYS  99  -1.825  12.168 -10.753
  740    H    ARG 100           H        ARG 100   2.718  14.821 -17.261
  741    HA   ARG 100           HA       ARG 100   5.371  13.790 -17.144
  742   1HB   ARG 100          2HB       ARG 100   3.875  15.965 -18.521
  743   2HB   ARG 100          1HB       ARG 100   5.634  16.091 -18.550
  744   1HG   ARG 100          2HG       ARG 100   4.591  14.786 -20.479
  745   2HG   ARG 100          1HG       ARG 100   5.865  13.950 -19.590
  746   1HD   ARG 100          2HD       ARG 100   4.144  12.771 -18.242
  747   2HD   ARG 100          1HD       ARG 100   2.875  13.578 -19.185
  748    HE   ARG 100           HE       ARG 100   3.462  12.234 -21.064
  749   1HH1  ARG 100          1HH2      ARG 100   5.983  12.264 -18.733
  750   2HH1  ARG 100          2HH2      ARG 100   6.715  10.801 -19.304
  751   1HH2  ARG 100          2HH1      ARG 100   4.288  10.210 -21.707
  752   2HH2  ARG 100          1HH1      ARG 100   5.756   9.639 -20.988
  753    H    SER 107           1H       SER 107   7.958   2.704  -0.587
  754    HA   SER 107           HA       SER 107   8.032   3.551   1.819
  755   1HB   SER 107          2HB       SER 107   8.911   5.621   2.029
  756   2HB   SER 107          1HB       SER 107   9.204   5.651   0.295
  757    HG   SER 107           HG       SER 107   7.295   6.910   1.781
  758    H    THR 108           H        THR 108   6.572   5.389  -0.906
  759    HA   THR 108           HA       THR 108   3.919   5.308   0.274
  760    HB   THR 108           HB       THR 108   4.732   7.098  -1.222
  761    HG1  THR 108           HG1      THR 108   2.439   6.017  -1.278
  762   1HG2  THR 108          1HG2      THR 108   4.469   5.575  -3.701
  763   2HG2  THR 108          2HG2      THR 108   5.790   4.991  -2.691
  764   3HG2  THR 108          3HG2      THR 108   5.747   6.680  -3.195
  765    H    ASN 109           H        ASN 109   4.178   2.792   0.520
  766    HA   ASN 109           HA       ASN 109   2.680   1.544  -1.714
  767   1HB   ASN 109          2HB       ASN 109   4.988   1.231  -2.346
  768   2HB   ASN 109          1HB       ASN 109   5.419   0.711  -0.716
  769   1HD2  ASN 109          1HD2      ASN 109   5.048  -0.570  -3.677
  770   2HD2  ASN 109          2HD2      ASN 109   4.417  -2.094  -3.284
  771    HA   PRO 110           HA       PRO 110   1.077   0.146   2.290
  772   1HB   PRO 110          2HB       PRO 110  -1.451  -0.317   1.350
  773   2HB   PRO 110          1HB       PRO 110  -0.875   1.297   1.814
  774   1HG   PRO 110          2HG       PRO 110  -1.141   0.091  -0.887
  775   2HG   PRO 110          1HG       PRO 110  -1.474   1.740  -0.352
  776   1HD   PRO 110          2HD       PRO 110   0.794   1.029  -1.690
  777   2HD   PRO 110          1HD       PRO 110   0.709   2.394  -0.558
  778    H    PHE 111           H        PHE 111   1.963  -1.504  -0.456
  779    HA   PHE 111           HA       PHE 111   0.680  -4.071   0.402
  780   1HB   PHE 111          2HB       PHE 111   2.289  -3.583  -2.116
  781   2HB   PHE 111          1HB       PHE 111   1.049  -4.807  -1.830
  782    HD1  PHE 111           HD1      PHE 111   1.627  -1.161  -2.254
  783    HD2  PHE 111           HD2      PHE 111  -1.278  -4.331  -2.215
  784    HE1  PHE 111           HE1      PHE 111  -0.098   0.393  -3.112
  785    HE2  PHE 111           HE2      PHE 111  -2.991  -2.764  -3.065
  786    HZ   PHE 111           HZ       PHE 111  -2.398  -0.399  -3.511
  787    H    ARG 112           HN       ARG 112   3.796  -3.212  -1.088
  788    HA   ARG 112           HA       ARG 112   5.303  -5.326  -0.030
  789   1HB   ARG 112          2HB       ARG 112   5.725  -2.690  -1.237
  790   2HB   ARG 112          1HB       ARG 112   7.041  -3.165  -0.161
  791   1HG   ARG 112          2HG       ARG 112   6.725  -5.493  -1.455
  792   2HG   ARG 112          1HG       ARG 112   6.141  -4.408  -2.717
  793   1HD   ARG 112          2HD       ARG 112   8.506  -4.602  -3.085
  794   2HD   ARG 112          1HD       ARG 112   8.288  -3.033  -2.283
  795    HE   ARG 112           HE       ARG 112   8.655  -4.484  -0.109
  796   1HH1  ARG 112          1HH2      ARG 112   9.489  -6.601  -2.348
  797   2HH1  ARG 112          2HH2      ARG 112  11.202  -6.583  -2.094
  798   1HH2  ARG 112          1HH1      ARG 112  11.153  -3.727  -0.130
  799   2HH2  ARG 112          2HH1      ARG 112  12.144  -4.958  -0.841
  Start of MODEL    4
    1    HA   PRO   6           HA       PRO   6  -0.802   5.917 -26.840
    2   1HB   PRO   6          2HB       PRO   6  -2.613   3.866 -26.953
    3   2HB   PRO   6          1HB       PRO   6  -2.028   4.714 -28.398
    4   1HG   PRO   6          2HG       PRO   6  -1.206   2.077 -27.291
    5   2HG   PRO   6          1HG       PRO   6  -1.419   2.577 -28.976
    6   1HD   PRO   6          1HD       PRO   6   0.682   3.474 -29.114
    7   2HD   PRO   6          2HD       PRO   6   1.017   2.365 -27.765
    8    H    TRP   7           H        TRP   7  -2.658   5.326 -25.080
    9    HA   TRP   7           HA       TRP   7  -1.182   4.514 -22.653
   10   1HB   TRP   7          2HB       TRP   7  -2.657   6.567 -22.894
   11   2HB   TRP   7          1HB       TRP   7  -4.043   5.477 -23.012
   12    HD1  TRP   7           HD1      TRP   7  -1.264   4.369 -20.797
   13    HE1  TRP   7           HE1      TRP   7  -1.977   4.526 -18.338
   14    HE3  TRP   7           HE3      TRP   7  -5.589   7.004 -21.331
   15    HZ2  TRP   7           HZ2      TRP   7  -4.108   5.654 -16.780
   16    HZ3  TRP   7           HZ3      TRP   7  -6.944   7.617 -19.342
   17    HH2  TRP   7           HH2      TRP   7  -6.209   6.943 -17.072
   18    H    ALA   8           H        ALA   8  -1.275   2.408 -21.999
   19    HA   ALA   8           HA       ALA   8  -2.745   0.320 -23.161
   20   1HB   ALA   8          1HB       ALA   8  -2.377  -0.681 -20.768
   21   2HB   ALA   8          2HB       ALA   8  -1.546   0.842 -20.448
   22   3HB   ALA   8          3HB       ALA   8  -0.963  -0.233 -21.724
   23    H    VAL   9           H        VAL   9  -3.767   2.720 -20.834
   24    HA   VAL   9           HA       VAL   9  -6.274   1.214 -20.252
   25    HB   VAL   9           HB       VAL   9  -5.079   3.788 -19.186
   26   1HG1  VAL   9          1HG1      VAL   9  -6.993   2.647 -17.420
   27   2HG1  VAL   9          2HG1      VAL   9  -7.745   2.738 -19.013
   28   3HG1  VAL   9          3HG1      VAL   9  -7.090   4.194 -18.264
   29   1HG2  VAL   9          1HG2      VAL   9  -3.883   1.625 -18.666
   30   2HG2  VAL   9          2HG2      VAL   9  -5.359   1.066 -17.878
   31   3HG2  VAL   9          3HG2      VAL   9  -4.495   2.467 -17.243
   32    H    LYS  10           H        LYS  10  -7.938   1.553 -21.640
   33    HA   LYS  10           HA       LYS  10  -8.081   4.059 -23.226
   34   1HB   LYS  10          2HB       LYS  10  -8.831   1.274 -23.450
   35   2HB   LYS  10          1HB       LYS  10 -10.235   2.296 -23.753
   36   1HG   LYS  10          2HG       LYS  10  -8.769   3.650 -25.328
   37   2HG   LYS  10          1HG       LYS  10  -7.557   2.379 -25.161
   38   1HD   LYS  10          2HD       LYS  10  -8.732   0.913 -26.447
   39   2HD   LYS  10          1HD       LYS  10 -10.282   1.414 -25.770
   40   1HE   LYS  10          2HE       LYS  10 -10.385   2.165 -28.023
   41   2HE   LYS  10          1HE       LYS  10  -9.894   3.617 -27.129
   42   1HZ   LYS  10          1HZ       LYS  10  -7.534   2.726 -27.475
   43   2HZ   LYS  10          2HZ       LYS  10  -8.305   3.455 -28.801
   44   3HZ   LYS  10          3HZ       LYS  10  -8.211   1.763 -28.695
   45    HA   PRO  11           HA       PRO  11 -11.504   5.803 -21.075
   46   1HB   PRO  11          2HB       PRO  11 -13.580   5.948 -22.863
   47   2HB   PRO  11          1HB       PRO  11 -12.167   7.020 -22.927
   48   1HG   PRO  11          2HG       PRO  11 -12.757   4.566 -24.515
   49   2HG   PRO  11          1HG       PRO  11 -12.049   6.104 -25.038
   50   1HD   PRO  11          2HD       PRO  11 -10.551   3.908 -24.582
   51   2HD   PRO  11          1HD       PRO  11  -9.946   5.550 -24.275
   52    H    GLU  12           H        GLU  12 -12.366   2.897 -22.902
   53    HA   GLU  12           HA       GLU  12 -14.714   2.257 -21.309
   54   1HB   GLU  12          2HB       GLU  12 -14.700   0.247 -22.633
   55   2HB   GLU  12          1HB       GLU  12 -14.131   1.537 -23.692
   56   1HG   GLU  12          2HG       GLU  12 -11.761   0.873 -22.957
   57   2HG   GLU  12          1HG       GLU  12 -12.497  -0.590 -22.303
   58    H    ASP  13           H        ASP  13 -11.277   1.455 -21.173
   59    HA   ASP  13           HA       ASP  13 -11.617  -0.528 -19.036
   60   1HB   ASP  13          2HB       ASP  13  -9.342   0.812 -20.498
   61   2HB   ASP  13          1HB       ASP  13  -9.025  -0.176 -19.071
   62    H    LYS  14           H        LYS  14 -10.660   2.852 -19.392
   63    HA   LYS  14           HA       LYS  14  -9.966   3.229 -16.597
   64   1HB   LYS  14          2HB       LYS  14  -9.240   4.530 -18.714
   65   2HB   LYS  14          1HB       LYS  14 -10.802   5.338 -18.590
   66   1HG   LYS  14          2HG       LYS  14  -9.799   5.440 -15.994
   67   2HG   LYS  14          1HG       LYS  14  -8.386   5.742 -17.005
   68   1HD   LYS  14          2HD       LYS  14 -10.112   7.327 -18.291
   69   2HD   LYS  14          1HD       LYS  14 -10.881   7.355 -16.704
   70   1HE   LYS  14          2HE       LYS  14  -9.111   8.476 -15.716
   71   2HE   LYS  14          1HE       LYS  14  -7.915   7.770 -16.820
   72   1HZ   LYS  14          1HZ       LYS  14  -9.882   9.910 -17.383
   73   2HZ   LYS  14          2HZ       LYS  14  -9.132   9.030 -18.628
   74   3HZ   LYS  14          3HZ       LYS  14  -8.195   9.965 -17.561
   75    H    ALA  15           H        ALA  15 -12.880   3.024 -18.384
   76    HA   ALA  15           HA       ALA  15 -14.524   4.736 -16.677
   77   1HB   ALA  15          1HB       ALA  15 -16.274   3.151 -17.966
   78   2HB   ALA  15          2HB       ALA  15 -14.848   2.804 -18.943
   79   3HB   ALA  15          3HB       ALA  15 -15.435   4.461 -18.797
   80    H    LYS  16           H        LYS  16 -13.820   1.259 -16.961
   81    HA   LYS  16           HA       LYS  16 -15.594   0.520 -14.768
   82   1HB   LYS  16          2HB       LYS  16 -15.050  -1.607 -15.455
   83   2HB   LYS  16          1HB       LYS  16 -14.465  -0.755 -16.880
   84   1HG   LYS  16          2HG       LYS  16 -12.207  -0.735 -16.012
   85   2HG   LYS  16          1HG       LYS  16 -12.751  -1.404 -14.474
   86   1HD   LYS  16          2HD       LYS  16 -11.910  -3.284 -15.639
   87   2HD   LYS  16          1HD       LYS  16 -13.655  -3.380 -15.879
   88   1HE   LYS  16          2HE       LYS  16 -13.083  -1.885 -18.021
   89   2HE   LYS  16          1HE       LYS  16 -11.512  -2.697 -17.851
   90   1HZ   LYS  16          1HZ       LYS  16 -13.553  -3.840 -19.077
   91   2HZ   LYS  16          2HZ       LYS  16 -13.906  -4.328 -17.489
   92   3HZ   LYS  16          3HZ       LYS  16 -12.414  -4.734 -18.194
   93    H    TYR  17           H        TYR  17 -12.321   1.617 -15.161
   94    HA   TYR  17           HA       TYR  17 -11.313   0.774 -12.562
   95   1HB   TYR  17          2HB       TYR  17 -10.492   2.946 -14.528
   96   2HB   TYR  17          1HB       TYR  17  -9.522   2.427 -13.154
   97    HD1  TYR  17           HD1      TYR  17 -11.202  -0.425 -14.239
   98    HD2  TYR  17           HD2      TYR  17  -7.991   2.179 -15.391
   99    HE1  TYR  17           HE1      TYR  17 -10.227  -2.236 -15.624
  100    HE2  TYR  17           HE2      TYR  17  -7.001   0.367 -16.767
  101    HH   TYR  17           HH       TYR  17  -8.436  -2.048 -17.911
  102    H    ASP  18           H        ASP  18 -12.883   3.628 -13.923
  103    HA   ASP  18           HA       ASP  18 -12.588   5.338 -11.611
  104   1HB   ASP  18          2HB       ASP  18 -13.080   5.998 -13.997
  105   2HB   ASP  18          1HB       ASP  18 -14.700   5.332 -13.800
  106    H    ALA  19           H        ALA  19 -14.759   2.729 -12.423
  107    HA   ALA  19           HA       ALA  19 -16.828   3.472 -10.485
  108   1HB   ALA  19          1HB       ALA  19 -16.913   2.024 -12.680
  109   2HB   ALA  19          2HB       ALA  19 -17.883   1.526 -11.293
  110   3HB   ALA  19          3HB       ALA  19 -16.348   0.725 -11.630
  111    H    ILE  20           H        ILE  20 -13.914   1.528 -10.620
  112    HA   ILE  20           HA       ILE  20 -14.344   0.277  -8.007
  113    HB   ILE  20           HB       ILE  20 -12.083   0.451 -10.021
  114   1HG1  ILE  20          2HG1      ILE  20 -13.438  -2.087  -9.215
  115   2HG1  ILE  20          1HG1      ILE  20 -14.343  -0.968 -10.237
  116   1HG2  ILE  20          1HG2      ILE  20 -12.139  -1.408  -7.655
  117   2HG2  ILE  20          2HG2      ILE  20 -11.416   0.195  -7.539
  118   3HG2  ILE  20          3HG2      ILE  20 -10.777  -0.979  -8.689
  119   1HD1  ILE  20          1HD1      ILE  20 -12.523  -2.822 -11.160
  120   2HD1  ILE  20          2HD1      ILE  20 -11.555  -1.349 -11.094
  121   3HD1  ILE  20          3HD1      ILE  20 -13.037  -1.388 -12.046
  122    H    PHE  21           H        PHE  21 -12.547   2.945  -9.455
  123    HA   PHE  21           HA       PHE  21 -11.065   3.649  -7.070
  124   1HB   PHE  21          2HB       PHE  21 -10.037   4.528  -8.924
  125   2HB   PHE  21          1HB       PHE  21 -11.548   4.624  -9.824
  126    HD1  PHE  21           HD1      PHE  21  -9.155   6.429  -7.779
  127    HD2  PHE  21           HD2      PHE  21 -13.153   6.514  -9.347
  128    HE1  PHE  21           HE1      PHE  21  -9.289   8.862  -7.312
  129    HE2  PHE  21           HE2      PHE  21 -13.288   8.943  -8.877
  130    HZ   PHE  21           HZ       PHE  21 -11.358  10.117  -7.858
  131    H    ASP  22           H        ASP  22 -14.122   4.610  -8.537
  132    HA   ASP  22           HA       ASP  22 -14.668   6.649  -6.485
  133   1HB   ASP  22          2HB       ASP  22 -15.277   6.886  -8.888
  134   2HB   ASP  22          1HB       ASP  22 -16.351   5.495  -8.730
  135    H    SER  23           H        SER  23 -14.836   3.316  -6.588
  136    HA   SER  23           HA       SER  23 -17.402   3.006  -5.155
  137   1HB   SER  23          2HB       SER  23 -15.439   1.388  -6.576
  138   2HB   SER  23          1HB       SER  23 -15.867   0.649  -5.036
  139    HG   SER  23           HG       SER  23 -17.433  -0.035  -6.361
  140    H    LEU  24           H        LEU  24 -14.213   3.832  -4.437
  141    HA   LEU  24           HA       LEU  24 -14.302   2.759  -1.654
  142   1HB   LEU  24          2HB       LEU  24 -12.018   4.282  -2.873
  143   2HB   LEU  24          1HB       LEU  24 -11.971   2.942  -1.732
  144    HG   LEU  24           HG       LEU  24 -12.877   2.628  -4.602
  145   1HD1  LEU  24          1HD1      LEU  24 -10.294   1.473  -4.001
  146   2HD1  LEU  24          2HD1      LEU  24 -10.272   3.210  -3.703
  147   3HD1  LEU  24          3HD1      LEU  24 -10.733   2.591  -5.290
  148   1HD2  LEU  24          1HD2      LEU  24 -13.622   0.830  -3.189
  149   2HD2  LEU  24          2HD2      LEU  24 -12.055   0.746  -2.379
  150   3HD2  LEU  24          3HD2      LEU  24 -12.207   0.232  -4.059
  151    H    SER  25           H        SER  25 -14.790   5.564  -3.532
  152    HA   SER  25           HA       SER  25 -15.664   7.674  -2.790
  153   1HB   SER  25          2HB       SER  25 -14.492   7.132  -0.069
  154   2HB   SER  25          1HB       SER  25 -15.899   8.105  -0.488
  155    HG   SER  25           HG       SER  25 -15.763   5.510   0.149
  156    HA   PRO  26           HA       PRO  26 -11.365   8.960  -3.518
  157   1HB   PRO  26          2HB       PRO  26 -12.001  10.728  -5.496
  158   2HB   PRO  26          1HB       PRO  26 -11.793   8.989  -5.784
  159   1HG   PRO  26          2HG       PRO  26 -14.287  10.578  -5.519
  160   2HG   PRO  26          1HG       PRO  26 -13.932   9.200  -6.571
  161   1HD   PRO  26          2HD       PRO  26 -15.386   9.037  -4.248
  162   2HD   PRO  26          1HD       PRO  26 -14.507   7.677  -4.975
  163    H    VAL  27           H        VAL  27 -10.337  10.946  -3.009
  164    HA   VAL  27           HA       VAL  27 -12.105  13.026  -1.762
  165    HB   VAL  27           HB       VAL  27  -9.300  12.144  -0.990
  166   1HG1  VAL  27          1HG1      VAL  27 -11.276  13.753   0.635
  167   2HG1  VAL  27          2HG1      VAL  27 -10.122  14.523  -0.454
  168   3HG1  VAL  27          3HG1      VAL  27  -9.545  13.559   0.906
  169   1HG2  VAL  27          1HG2      VAL  27 -11.789  10.850  -0.554
  170   2HG2  VAL  27          2HG2      VAL  27 -11.332  11.594   0.978
  171   3HG2  VAL  27          3HG2      VAL  27 -10.234  10.464   0.184
  172    H    ASN  28           H        ASN  28 -12.085  14.633  -3.337
  173    HA   ASN  28           HA       ASN  28 -11.174  16.364  -4.669
  174   1HB   ASN  28          2HB       ASN  28  -9.726  16.465  -2.542
  175   2HB   ASN  28          1HB       ASN  28  -8.520  15.561  -3.458
  176   1HD2  ASN  28          1HD2      ASN  28  -8.069  16.601  -5.750
  177   2HD2  ASN  28          2HD2      ASN  28  -7.947  18.294  -5.778
  178    H    GLY  29           H        GLY  29 -10.880  13.228  -5.153
  179   1HA   GLY  29          2HA       GLY  29 -10.529  12.269  -7.349
  180   2HA   GLY  29          1HA       GLY  29  -9.390  13.569  -7.701
  181    H    PHE  30           H        PHE  30  -9.391  11.696  -4.705
  182    HA   PHE  30           HA       PHE  30  -6.931  10.272  -5.629
  183   1HB   PHE  30          2HB       PHE  30  -7.287  12.065  -3.218
  184   2HB   PHE  30          1HB       PHE  30  -5.930  10.939  -3.380
  185    HD1  PHE  30           HD1      PHE  30  -7.307  14.131  -4.374
  186    HD2  PHE  30           HD2      PHE  30  -4.447  11.105  -5.400
  187    HE1  PHE  30           HE1      PHE  30  -6.141  15.744  -5.843
  188    HE2  PHE  30           HE2      PHE  30  -3.263  12.723  -6.871
  189    HZ   PHE  30           HZ       PHE  30  -4.111  15.044  -7.094
  190    H    LEU  31           H        LEU  31  -6.659   8.274  -4.750
  191    HA   LEU  31           HA       LEU  31  -8.673   7.370  -2.710
  192   1HB   LEU  31          2HB       LEU  31  -7.317   6.033  -5.055
  193   2HB   LEU  31          1HB       LEU  31  -7.930   5.066  -3.714
  194    HG   LEU  31           HG       LEU  31  -9.486   6.832  -5.598
  195   1HD1  LEU  31          1HD1      LEU  31 -10.805   4.483  -5.321
  196   2HD1  LEU  31          2HD1      LEU  31  -9.158   3.950  -4.974
  197   3HD1  LEU  31          3HD1      LEU  31  -9.530   4.731  -6.515
  198   1HD2  LEU  31          1HD2      LEU  31 -11.466   6.181  -4.128
  199   2HD2  LEU  31          2HD2      LEU  31 -10.382   7.389  -3.436
  200   3HD2  LEU  31          3HD2      LEU  31 -10.290   5.712  -2.898
  201    H    SER  32           H        SER  32  -7.765   6.548  -0.830
  202    HA   SER  32           HA       SER  32  -4.866   6.883  -0.516
  203   1HB   SER  32          2HB       SER  32  -5.376   6.847   1.751
  204   2HB   SER  32          1HB       SER  32  -6.942   7.322   1.100
  205    HG   SER  32           HG       SER  32  -7.354   5.604   2.394
  206    H    GLY  33           H        GLY  33  -3.388   5.223  -0.136
  207   1HA   GLY  33          2HA       GLY  33  -3.603   2.790  -1.457
  208   2HA   GLY  33          1HA       GLY  33  -2.588   3.008  -0.028
  209    H    ASP  34           H        ASP  34  -4.973   3.740   1.598
  210    HA   ASP  34           HA       ASP  34  -5.618   1.147   2.653
  211   1HB   ASP  34          2HB       ASP  34  -5.592   3.450   3.769
  212   2HB   ASP  34          1HB       ASP  34  -7.156   3.732   3.004
  213    H    LYS  35           H        LYS  35  -7.098   3.179   0.185
  214    HA   LYS  35           HA       LYS  35  -9.561   1.535   0.141
  215   1HB   LYS  35          2HB       LYS  35  -8.552   3.937  -1.425
  216   2HB   LYS  35          1HB       LYS  35 -10.148   3.221  -1.639
  217   1HG   LYS  35          2HG       LYS  35 -10.894   3.921   0.456
  218   2HG   LYS  35          1HG       LYS  35  -9.259   4.023   1.114
  219   1HD   LYS  35          2HD       LYS  35  -9.110   6.194   0.540
  220   2HD   LYS  35          1HD       LYS  35  -9.521   5.816  -1.133
  221   1HE   LYS  35          2HE       LYS  35 -11.184   7.372  -0.156
  222   2HE   LYS  35          1HE       LYS  35 -11.940   5.806  -0.507
  223   1HZ   LYS  35          1HZ       LYS  35 -12.085   5.276   1.668
  224   2HZ   LYS  35          2HZ       LYS  35 -12.038   6.959   1.893
  225   3HZ   LYS  35          3HZ       LYS  35 -10.624   6.036   2.072
  226    H    VAL  36           H        VAL  36  -6.591   2.165  -1.646
  227    HA   VAL  36           HA       VAL  36  -7.329   0.476  -3.927
  228    HB   VAL  36           HB       VAL  36  -4.715   1.661  -2.968
  229   1HG1  VAL  36          1HG1      VAL  36  -5.054  -0.370  -4.777
  230   2HG1  VAL  36          2HG1      VAL  36  -3.705   0.762  -4.794
  231   3HG1  VAL  36          3HG1      VAL  36  -5.108   1.045  -5.824
  232   1HG2  VAL  36          1HG2      VAL  36  -6.440   3.348  -3.482
  233   2HG2  VAL  36          2HG2      VAL  36  -6.717   2.595  -5.052
  234   3HG2  VAL  36          3HG2      VAL  36  -5.172   3.369  -4.707
  235    H    LYS  37           H        LYS  37  -5.056   0.218  -1.181
  236    HA   LYS  37           HA       LYS  37  -3.781  -2.155  -1.617
  237   1HB   LYS  37          2HB       LYS  37  -3.432  -0.878   0.381
  238   2HB   LYS  37          1HB       LYS  37  -5.104  -1.097   0.891
  239   1HG   LYS  37          2HG       LYS  37  -4.730  -3.217   1.676
  240   2HG   LYS  37          1HG       LYS  37  -3.556  -3.584   0.411
  241   1HD   LYS  37          2HD       LYS  37  -1.910  -2.107   1.552
  242   2HD   LYS  37          1HD       LYS  37  -3.074  -1.849   2.851
  243   1HE   LYS  37          2HE       LYS  37  -2.293  -4.654   2.063
  244   2HE   LYS  37          1HE       LYS  37  -1.274  -3.714   3.169
  245   1HZ   LYS  37          1HZ       LYS  37  -3.706  -3.176   4.124
  246   2HZ   LYS  37          2HZ       LYS  37  -2.732  -4.442   4.706
  247   3HZ   LYS  37          3HZ       LYS  37  -3.955  -4.760   3.569
  248    HA   PRO  38           HA       PRO  38  -7.532  -4.781  -0.166
  249   1HB   PRO  38          2HB       PRO  38  -9.978  -3.544  -0.154
  250   2HB   PRO  38          1HB       PRO  38  -8.930  -3.627   1.276
  251   1HG   PRO  38          2HG       PRO  38  -9.328  -1.391  -0.652
  252   2HG   PRO  38          1HG       PRO  38  -9.159  -1.344   1.110
  253   1HD   PRO  38          2HD       PRO  38  -7.132  -0.720  -0.560
  254   2HD   PRO  38          1HD       PRO  38  -6.870  -1.467   1.031
  255    H    VAL  39           H        VAL  39  -8.124  -2.176  -2.481
  256    HA   VAL  39           HA       VAL  39  -9.809  -3.604  -4.304
  257    HB   VAL  39           HB       VAL  39  -7.999  -1.217  -4.284
  258   1HG1  VAL  39          1HG1      VAL  39  -9.358  -2.030  -6.848
  259   2HG1  VAL  39          2HG1      VAL  39  -7.696  -2.510  -6.515
  260   3HG1  VAL  39          3HG1      VAL  39  -8.116  -0.807  -6.596
  261   1HG2  VAL  39          1HG2      VAL  39 -10.443  -0.610  -5.468
  262   2HG2  VAL  39          2HG2      VAL  39 -10.029  -0.373  -3.770
  263   3HG2  VAL  39          3HG2      VAL  39 -10.851  -1.847  -4.279
  264    H    LEU  40           H        LEU  40  -6.322  -3.455  -3.804
  265    HA   LEU  40           HA       LEU  40  -5.752  -5.096  -6.199
  266   1HB   LEU  40          2HB       LEU  40  -3.981  -4.040  -3.971
  267   2HB   LEU  40          1HB       LEU  40  -3.447  -4.622  -5.550
  268    HG   LEU  40           HG       LEU  40  -5.385  -2.331  -5.212
  269   1HD1  LEU  40          1HD1      LEU  40  -3.179  -1.094  -6.034
  270   2HD1  LEU  40          2HD1      LEU  40  -2.402  -2.422  -5.172
  271   3HD1  LEU  40          3HD1      LEU  40  -3.513  -1.347  -4.323
  272   1HD2  LEU  40          1HD2      LEU  40  -5.433  -3.504  -7.358
  273   2HD2  LEU  40          2HD2      LEU  40  -3.684  -3.317  -7.510
  274   3HD2  LEU  40          3HD2      LEU  40  -4.732  -1.897  -7.553
  275    H    LEU  41           H        LEU  41  -6.053  -5.423  -2.718
  276    HA   LEU  41           HA       LEU  41  -4.752  -8.015  -2.532
  277   1HB   LEU  41          2HB       LEU  41  -6.605  -6.358  -0.809
  278   2HB   LEU  41          1HB       LEU  41  -6.035  -7.948  -0.302
  279    HG   LEU  41           HG       LEU  41  -4.153  -5.754  -1.176
  280   1HD1  LEU  41          1HD1      LEU  41  -5.518  -5.037   0.791
  281   2HD1  LEU  41          2HD1      LEU  41  -3.813  -5.257   1.191
  282   3HD1  LEU  41          3HD1      LEU  41  -4.991  -6.487   1.645
  283   1HD2  LEU  41          1HD2      LEU  41  -3.902  -8.528  -0.526
  284   2HD2  LEU  41          2HD2      LEU  41  -3.114  -7.598   0.750
  285   3HD2  LEU  41          3HD2      LEU  41  -2.617  -7.387  -0.930
  286    H    ASN  42           H        ASN  42  -7.739  -6.902  -3.746
  287    HA   ASN  42           HA       ASN  42  -9.216  -9.374  -3.120
  288   1HB   ASN  42          2HB       ASN  42 -10.335  -7.209  -3.017
  289   2HB   ASN  42          1HB       ASN  42  -9.865  -6.855  -4.681
  290   1HD2  ASN  42          1HD2      ASN  42 -12.062  -6.755  -5.484
  291   2HD2  ASN  42          2HD2      ASN  42 -13.048  -8.133  -5.582
  292    H    SER  43           H        SER  43  -7.061  -8.299  -5.503
  293    HA   SER  43           HA       SER  43  -8.231  -9.653  -7.811
  294   1HB   SER  43          2HB       SER  43  -6.488  -8.626  -8.904
  295   2HB   SER  43          1HB       SER  43  -6.440  -7.668  -7.427
  296    HG   SER  43           HG       SER  43  -4.410  -8.405  -7.631
  297    H    LYS  44           H        LYS  44  -7.062 -10.925  -5.029
  298    HA   LYS  44           HA       LYS  44  -6.361 -13.123  -4.488
  299   1HB   LYS  44          2HB       LYS  44  -7.785 -13.372  -6.748
  300   2HB   LYS  44          1HB       LYS  44  -6.203 -13.823  -7.386
  301   1HG   LYS  44          2HG       LYS  44  -6.386 -15.857  -6.451
  302   2HG   LYS  44          1HG       LYS  44  -6.557 -15.118  -4.858
  303   1HD   LYS  44          2HD       LYS  44  -8.893 -15.098  -4.971
  304   2HD   LYS  44          1HD       LYS  44  -8.907 -15.203  -6.732
  305   1HE   LYS  44          2HE       LYS  44  -8.371 -17.512  -6.718
  306   2HE   LYS  44          1HE       LYS  44  -7.813 -17.456  -5.034
  307   1HZ   LYS  44          1HZ       LYS  44 -10.524 -16.527  -5.528
  308   2HZ   LYS  44          2HZ       LYS  44  -9.909 -17.438  -4.232
  309   3HZ   LYS  44          3HZ       LYS  44 -10.275 -18.195  -5.708
  310    H    LEU  45           H        LEU  45  -4.612 -10.815  -5.914
  311    HA   LEU  45           HA       LEU  45  -2.214 -12.425  -6.600
  312   1HB   LEU  45          2HB       LEU  45  -3.121  -9.568  -6.815
  313   2HB   LEU  45          1HB       LEU  45  -1.407  -9.947  -6.959
  314    HG   LEU  45           HG       LEU  45  -3.602 -11.221  -8.613
  315   1HD1  LEU  45          1HD1      LEU  45  -3.191  -9.675 -10.268
  316   2HD1  LEU  45          2HD1      LEU  45  -1.511  -9.453  -9.786
  317   3HD1  LEU  45          3HD1      LEU  45  -2.798  -8.666  -8.877
  318   1HD2  LEU  45          1HD2      LEU  45  -2.006 -12.620  -9.428
  319   2HD2  LEU  45          2HD2      LEU  45  -1.065 -12.170  -8.004
  320   3HD2  LEU  45          3HD2      LEU  45  -0.812 -11.326  -9.532
  321    HA   PRO  46           HA       PRO  46  -0.298 -11.719  -2.718
  322   1HB   PRO  46          2HB       PRO  46   2.329 -11.754  -3.481
  323   2HB   PRO  46          1HB       PRO  46   1.328 -13.215  -3.422
  324   1HG   PRO  46          2HG       PRO  46   2.161 -11.592  -5.754
  325   2HG   PRO  46          1HG       PRO  46   1.931 -13.340  -5.616
  326   1HD   PRO  46          2HD       PRO  46   0.129 -11.609  -6.768
  327   2HD   PRO  46          1HD       PRO  46  -0.283 -13.208  -6.118
  328    H    VAL  47           H        VAL  47   1.377 -10.105  -1.712
  329    HA   VAL  47           HA       VAL  47   0.698  -7.417  -2.521
  330    HB   VAL  47           HB       VAL  47   2.315  -8.836  -0.459
  331   1HG1  VAL  47          1HG1      VAL  47   3.349  -6.728   0.326
  332   2HG1  VAL  47          2HG1      VAL  47   2.754  -5.912  -1.121
  333   3HG1  VAL  47          3HG1      VAL  47   3.954  -7.195  -1.263
  334   1HG2  VAL  47          1HG2      VAL  47  -0.061  -7.200  -0.682
  335   2HG2  VAL  47          2HG2      VAL  47   1.021  -6.548   0.549
  336   3HG2  VAL  47          3HG2      VAL  47   0.465  -8.218   0.659
  337    H    ASP  48           H        ASP  48   2.860  -9.654  -3.803
  338    HA   ASP  48           HA       ASP  48   5.064  -7.867  -4.418
  339   1HB   ASP  48          2HB       ASP  48   4.181 -10.548  -5.544
  340   2HB   ASP  48          1HB       ASP  48   5.760  -9.810  -5.817
  341    H    ILE  49           H        ILE  49   2.041  -8.842  -5.894
  342    HA   ILE  49           HA       ILE  49   2.687  -7.526  -8.452
  343    HB   ILE  49           HB       ILE  49  -0.020  -8.509  -7.570
  344   1HG1  ILE  49          2HG1      ILE  49   1.480 -10.295  -6.896
  345   2HG1  ILE  49          1HG1      ILE  49   0.682 -10.779  -8.391
  346   1HG2  ILE  49          1HG2      ILE  49   0.598  -9.360 -10.152
  347   2HG2  ILE  49          2HG2      ILE  49   1.331  -7.760 -10.036
  348   3HG2  ILE  49          3HG2      ILE  49  -0.391  -7.963  -9.722
  349   1HD1  ILE  49          1HD1      ILE  49   3.481  -9.669  -8.098
  350   2HD1  ILE  49          2HD1      ILE  49   2.680  -9.914  -9.650
  351   3HD1  ILE  49          3HD1      ILE  49   3.027 -11.295  -8.609
  352    H    LEU  50           H        LEU  50   0.731  -7.053  -5.573
  353    HA   LEU  50           HA       LEU  50  -0.502  -4.573  -6.514
  354   1HB   LEU  50          2HB       LEU  50  -0.249  -5.576  -3.676
  355   2HB   LEU  50          1HB       LEU  50  -1.556  -4.630  -4.383
  356    HG   LEU  50           HG       LEU  50  -0.895  -7.529  -4.975
  357   1HD1  LEU  50          1HD1      LEU  50  -3.221  -6.149  -3.618
  358   2HD1  LEU  50          2HD1      LEU  50  -2.079  -7.282  -2.892
  359   3HD1  LEU  50          3HD1      LEU  50  -3.234  -7.845  -4.101
  360   1HD2  LEU  50          1HD2      LEU  50  -2.071  -7.366  -6.894
  361   2HD2  LEU  50          2HD2      LEU  50  -2.042  -5.613  -6.694
  362   3HD2  LEU  50          3HD2      LEU  50  -3.396  -6.552  -6.063
  363    H    GLY  51           H        GLY  51   2.351  -5.581  -4.759
  364   1HA   GLY  51          2HA       GLY  51   2.965  -2.959  -3.646
  365   2HA   GLY  51          1HA       GLY  51   4.092  -4.317  -3.770
  366    H    ARG  52           H        ARG  52   3.311  -4.571  -6.655
  367    HA   ARG  52           HA       ARG  52   5.197  -2.539  -7.733
  368   1HB   ARG  52          2HB       ARG  52   4.759  -5.319  -8.030
  369   2HB   ARG  52          1HB       ARG  52   4.296  -4.582  -9.562
  370   1HG   ARG  52          2HG       ARG  52   6.472  -3.391  -9.627
  371   2HG   ARG  52          1HG       ARG  52   6.940  -4.200  -8.130
  372   1HD   ARG  52          2HD       ARG  52   5.962  -6.107 -10.115
  373   2HD   ARG  52          1HD       ARG  52   7.364  -5.193 -10.701
  374    HE   ARG  52           HE       ARG  52   8.608  -5.933  -8.726
  375   1HH1  ARG  52          1HH2      ARG  52   6.655  -8.194 -10.024
  376   2HH1  ARG  52          2HH2      ARG  52   6.404  -9.127  -8.586
  377   1HH2  ARG  52          2HH1      ARG  52   7.783  -6.743  -6.482
  378   2HH2  ARG  52          1HH1      ARG  52   7.043  -8.305  -6.582
  379    H    VAL  53           H        VAL  53   1.890  -3.780  -8.026
  380    HA   VAL  53           HA       VAL  53   1.229  -2.303 -10.423
  381    HB   VAL  53           HB       VAL  53  -0.275  -3.657  -8.184
  382   1HG1  VAL  53          1HG1      VAL  53  -1.513  -1.580  -9.073
  383   2HG1  VAL  53          2HG1      VAL  53  -2.373  -3.113  -9.160
  384   3HG1  VAL  53          3HG1      VAL  53  -1.617  -2.444 -10.607
  385   1HG2  VAL  53          1HG2      VAL  53  -0.607  -4.298 -11.083
  386   2HG2  VAL  53          2HG2      VAL  53  -0.507  -5.381  -9.692
  387   3HG2  VAL  53          3HG2      VAL  53   0.961  -4.666 -10.359
  388    H    TRP  54           H        TRP  54   0.963  -1.606  -6.933
  389    HA   TRP  54           HA       TRP  54  -0.434   0.899  -7.259
  390   1HB   TRP  54          2HB       TRP  54  -0.459  -0.062  -5.087
  391   2HB   TRP  54          1HB       TRP  54   1.285  -0.348  -5.106
  392    HD1  TRP  54           HD1      TRP  54   2.869   1.878  -5.048
  393    HE1  TRP  54           HE1      TRP  54   2.488   4.158  -3.945
  394    HE3  TRP  54           HE3      TRP  54  -2.170   1.642  -4.272
  395    HZ2  TRP  54           HZ2      TRP  54   0.328   5.685  -2.827
  396    HZ3  TRP  54           HZ3      TRP  54  -3.364   3.525  -3.173
  397    HH2  TRP  54           HH2      TRP  54  -2.124   5.533  -2.457
  398    H    GLU  55           H        GLU  55   3.035   0.097  -6.807
  399    HA   GLU  55           HA       GLU  55   3.999   2.764  -6.879
  400   1HB   GLU  55          2HB       GLU  55   5.243   0.158  -7.790
  401   2HB   GLU  55          1HB       GLU  55   6.135   1.644  -7.454
  402   1HG   GLU  55          2HG       GLU  55   4.298   0.738  -5.320
  403   2HG   GLU  55          1HG       GLU  55   5.712  -0.277  -5.595
  404    H    LEU  56           H        LEU  56   3.987   0.402  -9.575
  405    HA   LEU  56           HA       LEU  56   4.689   2.278 -11.606
  406   1HB   LEU  56          2HB       LEU  56   3.031  -0.267 -11.647
  407   2HB   LEU  56          1HB       LEU  56   3.619   0.541 -13.101
  408    HG   LEU  56           HG       LEU  56   5.648  -0.016 -11.001
  409   1HD1  LEU  56          1HD1      LEU  56   5.650  -2.305 -11.165
  410   2HD1  LEU  56          2HD1      LEU  56   5.012  -2.290 -12.809
  411   3HD1  LEU  56          3HD1      LEU  56   3.927  -2.045 -11.441
  412   1HD2  LEU  56          1HD2      LEU  56   5.721   0.874 -13.584
  413   2HD2  LEU  56          2HD2      LEU  56   5.986  -0.851 -13.834
  414   3HD2  LEU  56          3HD2      LEU  56   7.080   0.068 -12.801
  415    H    SER  57           H        SER  57   1.811   1.827  -9.785
  416    HA   SER  57           HA       SER  57   0.018   3.159 -11.713
  417   1HB   SER  57          2HB       SER  57  -0.931   1.415 -10.414
  418   2HB   SER  57          1HB       SER  57  -0.175   1.998  -8.935
  419    HG   SER  57           HG       SER  57  -2.199   2.759  -8.804
  420    H    ASP  58           H        ASP  58   1.466   3.764  -8.516
  421    HA   ASP  58           HA       ASP  58   0.404   6.347  -8.035
  422   1HB   ASP  58          2HB       ASP  58   2.414   4.537  -7.012
  423   2HB   ASP  58          1HB       ASP  58   3.000   6.199  -6.953
  424    H    ILE  59           H        ILE  59   0.538   7.607  -9.990
  425    HA   ILE  59           HA       ILE  59   2.968   7.969 -11.491
  426    HB   ILE  59           HB       ILE  59   0.515   9.726 -11.169
  427   1HG1  ILE  59          2HG1      ILE  59   0.073   7.334 -11.821
  428   2HG1  ILE  59          1HG1      ILE  59  -0.392   8.501 -13.058
  429   1HG2  ILE  59          1HG2      ILE  59   2.686   9.568 -13.270
  430   2HG2  ILE  59          2HG2      ILE  59   2.271  10.952 -12.260
  431   3HG2  ILE  59          3HG2      ILE  59   1.159  10.412 -13.519
  432   1HD1  ILE  59          1HD1      ILE  59   1.875   8.124 -14.125
  433   2HD1  ILE  59          2HD1      ILE  59   0.794   6.732 -14.177
  434   3HD1  ILE  59          3HD1      ILE  59   2.105   6.787 -12.996
  435    H    ASP  60           H        ASP  60   1.600   9.562  -8.658
  436    HA   ASP  60           HA       ASP  60   3.879  11.505  -8.661
  437   1HB   ASP  60          2HB       ASP  60   2.374  12.771  -7.122
  438   2HB   ASP  60          1HB       ASP  60   1.611  12.445  -8.678
  439    H    HIS  61           H        HIS  61   2.589   8.727  -7.082
  440    HA   HIS  61           HA       HIS  61   3.359   7.509  -5.206
  441   1HB   HIS  61          2HB       HIS  61   5.674   9.463  -5.424
  442   2HB   HIS  61          1HB       HIS  61   5.701   7.902  -4.610
  443    HD1  HIS  61           HD1      HIS  61   6.849   6.210  -6.009
  444    HD2  HIS  61           HD2      HIS  61   4.672   8.885  -8.349
  445    HE1  HIS  61           HE1      HIS  61   7.153   5.470  -8.410
  446    H    ASP  62           H        ASP  62   1.558   9.694  -4.744
  447    HA   ASP  62           HA       ASP  62   2.589  11.106  -2.346
  448   1HB   ASP  62          2HB       ASP  62   0.542  12.387  -2.590
  449   2HB   ASP  62          1HB       ASP  62   1.240  12.178  -4.198
  450    H    GLY  63           H        GLY  63   1.383   8.096  -2.903
  451   1HA   GLY  63          2HA       GLY  63   0.746   6.527  -1.213
  452   2HA   GLY  63          1HA       GLY  63   0.378   7.874  -0.135
  453    H    MET  64           H        MET  64  -0.830   7.974  -3.387
  454    HA   MET  64           HA       MET  64  -3.453   6.845  -2.639
  455   1HB   MET  64          2HB       MET  64  -3.294   9.696  -3.630
  456   2HB   MET  64          1HB       MET  64  -4.670   8.865  -2.914
  457   1HG   MET  64          2HG       MET  64  -3.599   8.836  -0.749
  458   2HG   MET  64          1HG       MET  64  -2.120   9.514  -1.426
  459   1HE   MET  64          1HE       MET  64  -5.181   9.812   0.204
  460   2HE   MET  64          2HE       MET  64  -6.137  10.455  -1.129
  461   3HE   MET  64          3HE       MET  64  -5.701  11.504   0.218
  462    H    LEU  65           H        LEU  65  -4.913   6.754  -4.546
  463    HA   LEU  65           HA       LEU  65  -3.396   6.845  -7.136
  464   1HB   LEU  65          2HB       LEU  65  -5.453   4.941  -5.997
  465   2HB   LEU  65          1HB       LEU  65  -5.050   4.965  -7.714
  466    HG   LEU  65           HG       LEU  65  -3.085   4.529  -5.447
  467   1HD1  LEU  65          1HD1      LEU  65  -3.346   2.296  -5.760
  468   2HD1  LEU  65          2HD1      LEU  65  -3.484   2.463  -7.510
  469   3HD1  LEU  65          3HD1      LEU  65  -4.891   2.743  -6.484
  470   1HD2  LEU  65          1HD2      LEU  65  -1.583   3.911  -7.429
  471   2HD2  LEU  65          2HD2      LEU  65  -1.933   5.627  -7.234
  472   3HD2  LEU  65          3HD2      LEU  65  -2.787   4.686  -8.458
  473    H    ASP  66           H        ASP  66  -4.178   8.617  -8.247
  474    HA   ASP  66           HA       ASP  66  -6.752   9.825  -7.769
  475   1HB   ASP  66          2HB       ASP  66  -4.970  10.064 -10.212
  476   2HB   ASP  66          1HB       ASP  66  -6.087  11.272  -9.587
  477    H    ARG  67           H        ARG  67  -8.526   9.948  -9.353
  478    HA   ARG  67           HA       ARG  67  -9.665   7.597 -10.230
  479   1HB   ARG  67          2HB       ARG  67 -10.800   9.077 -11.941
  480   2HB   ARG  67          1HB       ARG  67 -10.793   9.741 -10.307
  481   1HG   ARG  67          2HG       ARG  67  -8.559  10.880 -11.045
  482   2HG   ARG  67          1HG       ARG  67  -9.137  10.561 -12.682
  483   1HD   ARG  67          2HD       ARG  67 -11.260  11.757 -12.142
  484   2HD   ARG  67          1HD       ARG  67 -10.601  12.143 -10.539
  485    HE   ARG  67           HE       ARG  67  -8.602  12.980 -12.238
  486   1HH1  ARG  67          1HH2      ARG  67 -10.929  14.564 -10.737
  487   2HH1  ARG  67          2HH2      ARG  67 -11.340  15.678 -11.998
  488   1HH2  ARG  67          2HH1      ARG  67  -9.590  13.964 -14.451
  489   2HH2  ARG  67          1HH1      ARG  67 -10.582  15.339 -14.098
  490    H    ASP  68           H        ASP  68  -7.345   9.581 -12.046
  491    HA   ASP  68           HA       ASP  68  -7.291   7.719 -14.318
  492   1HB   ASP  68          2HB       ASP  68  -6.983  10.238 -14.388
  493   2HB   ASP  68          1HB       ASP  68  -5.424  10.001 -13.597
  494    H    GLU  69           H        GLU  69  -5.337   8.456 -11.473
  495    HA   GLU  69           HA       GLU  69  -3.073   6.801 -12.157
  496   1HB   GLU  69          2HB       GLU  69  -3.814   8.653 -10.231
  497   2HB   GLU  69          1HB       GLU  69  -3.729   7.149  -9.317
  498   1HG   GLU  69          2HG       GLU  69  -1.476   6.739 -10.205
  499   2HG   GLU  69          1HG       GLU  69  -1.552   8.252 -11.107
  500    H    PHE  70           H        PHE  70  -5.890   6.319 -10.028
  501    HA   PHE  70           HA       PHE  70  -5.380   3.644  -9.245
  502   1HB   PHE  70          2HB       PHE  70  -7.066   5.250  -8.315
  503   2HB   PHE  70          1HB       PHE  70  -8.018   5.053  -9.785
  504    HD1  PHE  70           HD1      PHE  70  -7.093   3.610  -6.582
  505    HD2  PHE  70           HD2      PHE  70  -8.976   2.801 -10.357
  506    HE1  PHE  70           HE1      PHE  70  -8.169   1.593  -5.615
  507    HE2  PHE  70           HE2      PHE  70 -10.050   0.787  -9.390
  508    HZ   PHE  70           HZ       PHE  70  -9.643   0.186  -7.018
  509    H    ALA  71           H        ALA  71  -6.378   5.012 -12.262
  510    HA   ALA  71           HA       ALA  71  -7.708   2.690 -13.381
  511   1HB   ALA  71          1HB       ALA  71  -6.177   4.792 -14.915
  512   2HB   ALA  71          2HB       ALA  71  -7.663   5.214 -14.061
  513   3HB   ALA  71          3HB       ALA  71  -7.698   4.010 -15.349
  514    H    VAL  72           H        VAL  72  -4.448   4.040 -13.754
  515    HA   VAL  72           HA       VAL  72  -3.307   2.075 -15.427
  516    HB   VAL  72           HB       VAL  72  -2.184   3.733 -13.146
  517   1HG1  VAL  72          1HG1      VAL  72  -0.220   3.315 -15.119
  518   2HG1  VAL  72          2HG1      VAL  72  -0.930   1.730 -14.817
  519   3HG1  VAL  72          3HG1      VAL  72  -0.240   2.652 -13.486
  520   1HG2  VAL  72          1HG2      VAL  72  -3.284   5.022 -14.943
  521   2HG2  VAL  72          2HG2      VAL  72  -2.291   4.195 -16.144
  522   3HG2  VAL  72          3HG2      VAL  72  -1.536   5.273 -14.968
  523    H    ALA  73           H        ALA  73  -4.123   1.957 -12.019
  524    HA   ALA  73           HA       ALA  73  -2.470  -0.437 -11.509
  525   1HB   ALA  73          1HB       ALA  73  -4.434   1.230  -9.935
  526   2HB   ALA  73          2HB       ALA  73  -2.676   1.213  -9.793
  527   3HB   ALA  73          3HB       ALA  73  -3.621  -0.180  -9.257
  528    H    MET  74           H        MET  74  -5.634   0.118 -12.760
  529    HA   MET  74           HA       MET  74  -6.761  -2.340 -11.599
  530   1HB   MET  74          2HB       MET  74  -7.790  -0.546 -13.812
  531   2HB   MET  74          1HB       MET  74  -8.735  -1.708 -12.890
  532   1HG   MET  74          2HG       MET  74  -7.900   1.032 -12.175
  533   2HG   MET  74          1HG       MET  74  -9.283   0.103 -11.622
  534   1HE   MET  74          1HE       MET  74  -8.785  -1.732  -8.997
  535   2HE   MET  74          2HE       MET  74  -7.333  -2.540  -9.588
  536   3HE   MET  74          3HE       MET  74  -8.654  -2.188 -10.702
  537    H    PHE  75           H        PHE  75  -5.626  -1.295 -14.819
  538    HA   PHE  75           HA       PHE  75  -6.134  -3.938 -15.949
  539   1HB   PHE  75          2HB       PHE  75  -5.484  -2.926 -17.937
  540   2HB   PHE  75          1HB       PHE  75  -5.914  -1.494 -17.005
  541    HD1  PHE  75           HD1      PHE  75  -3.298  -3.229 -18.750
  542    HD2  PHE  75           HD2      PHE  75  -4.063  -0.301 -15.709
  543    HE1  PHE  75           HE1      PHE  75  -0.980  -2.383 -18.985
  544    HE2  PHE  75           HE2      PHE  75  -1.757   0.543 -15.941
  545    HZ   PHE  75           HZ       PHE  75  -0.206  -0.495 -17.579
  546    H    LEU  76           H        LEU  76  -3.625  -2.354 -14.169
  547    HA   LEU  76           HA       LEU  76  -1.432  -4.133 -14.851
  548   1HB   LEU  76          2HB       LEU  76  -2.072  -1.904 -13.040
  549   2HB   LEU  76          1HB       LEU  76  -0.918  -3.052 -12.369
  550    HG   LEU  76           HG       LEU  76  -0.654  -1.809 -15.118
  551   1HD1  LEU  76          1HD1      LEU  76  -0.475  -0.179 -13.183
  552   2HD1  LEU  76          2HD1      LEU  76   0.977  -0.313 -14.174
  553   3HD1  LEU  76          3HD1      LEU  76   0.900  -1.123 -12.610
  554   1HD2  LEU  76          1HD2      LEU  76   1.444  -3.194 -13.429
  555   2HD2  LEU  76          2HD2      LEU  76   1.516  -2.808 -15.149
  556   3HD2  LEU  76          3HD2      LEU  76   0.431  -4.075 -14.574
  557    H    VAL  77           H        VAL  77  -4.180  -4.243 -12.756
  558    HA   VAL  77           HA       VAL  77  -3.133  -6.484 -11.120
  559    HB   VAL  77           HB       VAL  77  -5.733  -4.905 -11.227
  560   1HG1  VAL  77          1HG1      VAL  77  -5.088  -6.511  -8.825
  561   2HG1  VAL  77          2HG1      VAL  77  -5.506  -7.460 -10.251
  562   3HG1  VAL  77          3HG1      VAL  77  -6.638  -6.262  -9.626
  563   1HG2  VAL  77          1HG2      VAL  77  -3.667  -4.945  -9.027
  564   2HG2  VAL  77          2HG2      VAL  77  -4.894  -3.723  -9.364
  565   3HG2  VAL  77          3HG2      VAL  77  -3.491  -3.878 -10.421
  566    H    TYR  78           H        TYR  78  -5.712  -5.821 -13.494
  567    HA   TYR  78           HA       TYR  78  -6.799  -8.466 -13.574
  568   1HB   TYR  78          2HB       TYR  78  -6.882  -5.949 -15.137
  569   2HB   TYR  78          1HB       TYR  78  -7.355  -7.406 -16.013
  570    HD1  TYR  78           HD1      TYR  78  -8.677  -4.796 -14.209
  571    HD2  TYR  78           HD2      TYR  78  -8.782  -9.090 -14.327
  572    HE1  TYR  78           HE1      TYR  78 -10.878  -4.774 -13.070
  573    HE2  TYR  78           HE2      TYR  78 -10.986  -9.066 -13.186
  574    HH   TYR  78           HH       TYR  78 -12.711  -6.051 -12.589
  575    H    CYS  79           H        CYS  79  -4.005  -7.026 -15.165
  576    HA   CYS  79           HA       CYS  79  -3.735  -9.148 -17.154
  577   1HB   CYS  79          2HB       CYS  79  -2.832  -6.612 -16.926
  578   2HB   CYS  79          1HB       CYS  79  -1.432  -7.462 -16.269
  579    HG   CYS  79           HG       CYS  79  -1.160  -8.724 -18.515
  580    H    ALA  80           H        ALA  80  -2.899  -8.659 -13.844
  581    HA   ALA  80           HA       ALA  80  -0.829 -10.752 -13.811
  582   1HB   ALA  80          1HB       ALA  80  -2.184  -9.052 -11.698
  583   2HB   ALA  80          2HB       ALA  80  -0.598  -8.769 -12.415
  584   3HB   ALA  80          3HB       ALA  80  -0.854 -10.164 -11.367
  585    H    LEU  81           H        LEU  81  -4.198 -10.620 -13.787
  586    HA   LEU  81           HA       LEU  81  -4.584 -12.961 -12.012
  587   1HB   LEU  81          2HB       LEU  81  -6.513 -11.373 -13.738
  588   2HB   LEU  81          1HB       LEU  81  -6.960 -12.526 -12.486
  589    HG   LEU  81           HG       LEU  81  -5.933  -9.746 -12.224
  590   1HD1  LEU  81          1HD1      LEU  81  -8.109  -9.804 -11.535
  591   2HD1  LEU  81          2HD1      LEU  81  -7.377 -10.298 -10.009
  592   3HD1  LEU  81          3HD1      LEU  81  -8.034 -11.513 -11.106
  593   1HD2  LEU  81          1HD2      LEU  81  -5.298 -11.942 -10.223
  594   2HD2  LEU  81          2HD2      LEU  81  -5.077 -10.216  -9.936
  595   3HD2  LEU  81          3HD2      LEU  81  -4.116 -11.036 -11.168
  596    H    GLU  82           H        GLU  82  -4.812 -12.062 -15.429
  597    HA   GLU  82           HA       GLU  82  -5.744 -14.629 -16.355
  598   1HB   GLU  82          2HB       GLU  82  -4.678 -12.079 -17.429
  599   2HB   GLU  82          1HB       GLU  82  -4.472 -13.484 -18.477
  600   1HG   GLU  82          2HG       GLU  82  -7.046 -13.847 -17.694
  601   2HG   GLU  82          1HG       GLU  82  -6.955 -12.086 -17.656
  602    H    LYS  83           H        LYS  83  -2.525 -13.084 -16.416
  603    HA   LYS  83           HA       LYS  83  -1.086 -15.417 -15.655
  604   1HB   LYS  83          2HB       LYS  83  -2.240 -15.597 -18.185
  605   2HB   LYS  83          1HB       LYS  83  -0.540 -15.253 -18.497
  606   1HG   LYS  83          2HG       LYS  83   0.104 -17.106 -16.988
  607   2HG   LYS  83          1HG       LYS  83  -1.602 -17.465 -16.718
  608   1HD   LYS  83          2HD       LYS  83  -1.928 -18.077 -19.010
  609   2HD   LYS  83          1HD       LYS  83  -0.351 -17.436 -19.473
  610   1HE   LYS  83          2HE       LYS  83   0.664 -19.393 -18.944
  611   2HE   LYS  83          1HE       LYS  83  -0.098 -19.409 -17.340
  612   1HZ   LYS  83          1HZ       LYS  83  -1.977 -20.445 -18.136
  613   2HZ   LYS  83          2HZ       LYS  83  -0.776 -21.193 -19.077
  614   3HZ   LYS  83          3HZ       LYS  83  -1.722 -19.944 -19.737
  615    H    GLU  84           H        GLU  84  -1.120 -12.372 -17.401
  616    HA   GLU  84           HA       GLU  84   1.793 -12.146 -17.536
  617   1HB   GLU  84          2HB       GLU  84  -0.631 -10.605 -18.285
  618   2HB   GLU  84          1HB       GLU  84   0.829  -9.656 -18.005
  619   1HG   GLU  84          2HG       GLU  84   1.470 -12.020 -19.536
  620   2HG   GLU  84          1HG       GLU  84   0.174 -11.121 -20.327
  621    HA   PRO  85           HA       PRO  85   1.915 -10.819 -13.245
  622   1HB   PRO  85          2HB       PRO  85   4.654 -10.683 -13.130
  623   2HB   PRO  85          1HB       PRO  85   3.747 -12.201 -12.968
  624   1HG   PRO  85          2HG       PRO  85   5.140 -11.080 -15.356
  625   2HG   PRO  85          1HG       PRO  85   5.093 -12.747 -14.759
  626   1HD   PRO  85          2HD       PRO  85   3.572 -11.913 -16.829
  627   2HD   PRO  85          1HD       PRO  85   3.026 -13.166 -15.691
  628    H    VAL  86           H        VAL  86   3.897  -9.020 -12.424
  629    HA   VAL  86           HA       VAL  86   3.543  -6.692 -14.280
  630    HB   VAL  86           HB       VAL  86   3.120  -6.897 -11.286
  631   1HG1  VAL  86          1HG1      VAL  86   3.069  -4.468 -13.103
  632   2HG1  VAL  86          2HG1      VAL  86   4.247  -4.786 -11.830
  633   3HG1  VAL  86          3HG1      VAL  86   2.560  -4.480 -11.415
  634   1HG2  VAL  86          1HG2      VAL  86   1.382  -6.751 -13.695
  635   2HG2  VAL  86          2HG2      VAL  86   0.882  -5.778 -12.312
  636   3HG2  VAL  86          3HG2      VAL  86   1.083  -7.522 -12.138
  637    HA   PRO  87           HA       PRO  87   7.892  -6.420 -13.321
  638   1HB   PRO  87          2HB       PRO  87   8.464  -4.488 -15.168
  639   2HB   PRO  87          1HB       PRO  87   8.228  -6.191 -15.607
  640   1HG   PRO  87          2HG       PRO  87   6.441  -3.884 -16.002
  641   2HG   PRO  87          1HG       PRO  87   6.563  -5.393 -16.916
  642   1HD   PRO  87          2HD       PRO  87   4.614  -4.736 -14.984
  643   2HD   PRO  87          1HD       PRO  87   4.886  -6.326 -15.730
  644    H    MET  88           H        MET  88   9.347  -4.252 -12.964
  645    HA   MET  88           HA       MET  88   7.692  -2.484 -11.200
  646   1HB   MET  88          2HB       MET  88  10.686  -2.487 -11.317
  647   2HB   MET  88          1HB       MET  88   9.631  -2.200  -9.937
  648   1HG   MET  88          2HG       MET  88   8.976  -4.627 -10.012
  649   2HG   MET  88          1HG       MET  88  10.190  -4.868 -11.267
  650   1HE   MET  88          1HE       MET  88  12.891  -5.842 -10.078
  651   2HE   MET  88          2HE       MET  88  11.274  -6.415 -10.481
  652   3HE   MET  88          3HE       MET  88  11.926  -6.701  -8.870
  653    H    SER  89           H        SER  89   8.581  -2.429 -14.309
  654    HA   SER  89           HA       SER  89   9.627   0.363 -14.227
  655   1HB   SER  89          2HB       SER  89   9.635  -1.821 -16.302
  656   2HB   SER  89          1HB       SER  89  10.244  -0.196 -16.595
  657    HG   SER  89           HG       SER  89  11.994  -1.293 -15.902
  658    H    LEU  90           H        LEU  90   7.885   1.685 -14.221
  659    HA   LEU  90           HA       LEU  90   5.338   1.406 -15.330
  660   1HB   LEU  90          2HB       LEU  90   7.196   3.562 -14.623
  661   2HB   LEU  90          1HB       LEU  90   6.089   4.032 -15.914
  662    HG   LEU  90           HG       LEU  90   5.318   2.889 -13.217
  663   1HD1  LEU  90          1HD1      LEU  90   4.023   5.302 -13.603
  664   2HD1  LEU  90          2HD1      LEU  90   5.610   5.596 -14.312
  665   3HD1  LEU  90          3HD1      LEU  90   5.479   5.074 -12.633
  666   1HD2  LEU  90          1HD2      LEU  90   3.891   3.132 -15.785
  667   2HD2  LEU  90          2HD2      LEU  90   3.026   3.821 -14.411
  668   3HD2  LEU  90          3HD2      LEU  90   3.519   2.129 -14.383
  669    HA   PRO  91           HA       PRO  91   6.796   0.726 -19.554
  670   1HB   PRO  91          2HB       PRO  91   4.380  -0.183 -20.491
  671   2HB   PRO  91          1HB       PRO  91   5.541  -1.207 -19.619
  672   1HG   PRO  91          2HG       PRO  91   3.085   0.144 -18.611
  673   2HG   PRO  91          1HG       PRO  91   3.718  -1.468 -18.244
  674   1HD   PRO  91          2HD       PRO  91   4.004   0.645 -16.565
  675   2HD   PRO  91          1HD       PRO  91   5.190  -0.677 -16.668
  676    HA   PRO  92           HA       PRO  92   5.458   4.569 -21.226
  677   1HB   PRO  92          2HB       PRO  92   6.132   4.124 -23.842
  678   2HB   PRO  92          1HB       PRO  92   7.333   4.459 -22.577
  679   1HG   PRO  92          2HG       PRO  92   6.501   1.849 -23.756
  680   2HG   PRO  92          1HG       PRO  92   8.122   2.430 -23.338
  681   1HD   PRO  92          2HD       PRO  92   6.748   0.715 -21.767
  682   2HD   PRO  92          1HD       PRO  92   7.874   1.923 -21.105
  683    H    ALA  93           H        ALA  93   4.041   1.580 -21.960
  684    HA   ALA  93           HA       ALA  93   2.025   2.733 -23.827
  685   1HB   ALA  93          1HB       ALA  93   3.205   0.122 -23.208
  686   2HB   ALA  93          2HB       ALA  93   2.371   0.645 -24.672
  687   3HB   ALA  93          3HB       ALA  93   1.444   0.050 -23.293
  688    H    LEU  94           H        LEU  94   2.346   3.279 -20.863
  689    HA   LEU  94           HA       LEU  94  -0.494   2.907 -20.116
  690   1HB   LEU  94          2HB       LEU  94   0.248   0.895 -19.226
  691   2HB   LEU  94          1HB       LEU  94   1.883   1.497 -18.981
  692    HG   LEU  94           HG       LEU  94   0.442   1.078 -16.885
  693   1HD1  LEU  94          1HD1      LEU  94   2.507   2.801 -17.434
  694   2HD1  LEU  94          2HD1      LEU  94   1.867   2.468 -15.823
  695   3HD1  LEU  94          3HD1      LEU  94   1.307   3.881 -16.718
  696   1HD2  LEU  94          1HD2      LEU  94  -1.273   2.828 -18.290
  697   2HD2  LEU  94          2HD2      LEU  94  -0.650   3.751 -16.920
  698   3HD2  LEU  94          3HD2      LEU  94  -1.482   2.223 -16.649
  699    H    VAL  95           H        VAL  95   2.719   4.158 -19.349
  700    HA   VAL  95           HA       VAL  95   1.820   5.989 -17.286
  701    HB   VAL  95           HB       VAL  95   4.140   4.910 -17.767
  702   1HG1  VAL  95          1HG1      VAL  95   5.538   5.887 -19.340
  703   2HG1  VAL  95          2HG1      VAL  95   4.672   7.423 -19.308
  704   3HG1  VAL  95          3HG1      VAL  95   3.986   6.042 -20.162
  705   1HG2  VAL  95          1HG2      VAL  95   5.250   6.720 -16.617
  706   2HG2  VAL  95          2HG2      VAL  95   3.589   6.657 -16.025
  707   3HG2  VAL  95          3HG2      VAL  95   4.061   7.886 -17.198
  708    HA   PRO  96           HA       PRO  96   0.324   9.091 -20.066
  709   1HB   PRO  96          2HB       PRO  96   0.019  11.084 -18.218
  710   2HB   PRO  96          1HB       PRO  96  -1.102   9.716 -18.356
  711   1HG   PRO  96          2HG       PRO  96   1.087  10.179 -16.401
  712   2HG   PRO  96          1HG       PRO  96  -0.498   9.428 -16.166
  713   1HD   PRO  96          2HD       PRO  96   1.849   8.029 -16.424
  714   2HD   PRO  96          1HD       PRO  96   0.244   7.369 -16.807
  715    HA   PRO  97           HA       PRO  97   3.874  11.490 -21.040
  716   1HB   PRO  97          2HB       PRO  97   2.703  13.640 -22.268
  717   2HB   PRO  97          1HB       PRO  97   2.819  12.037 -23.024
  718   1HG   PRO  97          2HG       PRO  97   0.507  13.324 -21.660
  719   2HG   PRO  97          1HG       PRO  97   0.540  12.301 -23.104
  720   1HD   PRO  97          2HD       PRO  97  -0.200  11.396 -20.644
  721   2HD   PRO  97          1HD       PRO  97   0.525  10.359 -21.892
  722    H    SER  98           H        SER  98   1.657  12.421 -18.700
  723    HA   SER  98           HA       SER  98   2.506  15.139 -18.192
  724   1HB   SER  98          2HB       SER  98   0.490  13.493 -17.370
  725   2HB   SER  98          1HB       SER  98   1.547  13.430 -15.962
  726    HG   SER  98           HG       SER  98  -0.124  15.349 -16.661
  727    H    LYS  99           H        LYS  99   3.885  12.036 -17.554
  728    HA   LYS  99           HA       LYS  99   5.698  13.119 -15.457
  729   1HB   LYS  99          2HB       LYS  99   4.435  10.661 -15.980
  730   2HB   LYS  99          1HB       LYS  99   6.141  10.377 -16.329
  731   1HG   LYS  99          2HG       LYS  99   6.484  11.699 -14.053
  732   2HG   LYS  99          1HG       LYS  99   4.838  11.143 -13.744
  733   1HD   LYS  99          2HD       LYS  99   5.872   8.831 -14.618
  734   2HD   LYS  99          1HD       LYS  99   7.355   9.564 -14.004
  735   1HE   LYS  99          2HE       LYS  99   6.149  10.009 -11.827
  736   2HE   LYS  99          1HE       LYS  99   4.795   9.050 -12.454
  737   1HZ   LYS  99          1HZ       LYS  99   6.458   7.729 -11.179
  738   2HZ   LYS  99          2HZ       LYS  99   7.604   8.089 -12.380
  739   3HZ   LYS  99          3HZ       LYS  99   6.219   7.184 -12.767
  740    H    ARG 100           H        ARG 100   5.618  13.409 -18.658
  741    HA   ARG 100           HA       ARG 100   8.589  13.073 -18.940
  742   1HB   ARG 100          2HB       ARG 100   6.299  12.074 -20.588
  743   2HB   ARG 100          1HB       ARG 100   7.770  12.556 -21.433
  744   1HG   ARG 100          2HG       ARG 100   8.961  10.791 -20.630
  745   2HG   ARG 100          1HG       ARG 100   8.220  10.897 -19.033
  746   1HD   ARG 100          2HD       ARG 100   6.129  10.105 -20.741
  747   2HD   ARG 100          1HD       ARG 100   7.530   9.133 -21.232
  748    HE   ARG 100           HE       ARG 100   6.187   8.995 -18.641
  749   1HH1  ARG 100          1HH2      ARG 100   9.221   8.772 -20.268
  750   2HH1  ARG 100          2HH2      ARG 100   9.852   7.563 -19.200
  751   1HH2  ARG 100          2HH1      ARG 100   6.961   7.345 -17.300
  752   2HH2  ARG 100          1HH1      ARG 100   8.575   6.757 -17.521
  753    H    SER 107           1H       SER 107   8.881   5.283   1.618
  754    HA   SER 107           HA       SER 107   9.795   2.974   0.792
  755   1HB   SER 107          2HB       SER 107   9.359   1.227   2.258
  756   2HB   SER 107          1HB       SER 107   9.701   2.507   3.419
  757    HG   SER 107           HG       SER 107   7.564   2.757   3.782
  758    H    THR 108           H        THR 108   6.910   4.441   2.228
  759    HA   THR 108           HA       THR 108   4.657   4.456   1.487
  760    HB   THR 108           HB       THR 108   4.593   4.994  -0.978
  761    HG1  THR 108           HG1      THR 108   6.314   4.671  -2.161
  762   1HG2  THR 108          1HG2      THR 108   6.884   6.588  -0.046
  763   2HG2  THR 108          2HG2      THR 108   5.561   6.480   1.116
  764   3HG2  THR 108          3HG2      THR 108   5.261   7.108  -0.505
  765    H    ASN 109           H        ASN 109   3.482   3.426  -0.827
  766    HA   ASN 109           HA       ASN 109   2.625   1.426  -1.736
  767   1HB   ASN 109          2HB       ASN 109   5.113   1.294  -2.281
  768   2HB   ASN 109          1HB       ASN 109   5.279   0.257  -0.863
  769   1HD2  ASN 109          1HD2      ASN 109   3.171   0.509  -3.788
  770   2HD2  ASN 109          2HD2      ASN 109   3.098  -1.163  -4.059
  771    HA   PRO 110           HA       PRO 110   1.310   0.044   2.396
  772   1HB   PRO 110          2HB       PRO 110  -1.276  -0.390   1.620
  773   2HB   PRO 110          1HB       PRO 110  -0.658   1.214   2.056
  774   1HG   PRO 110          2HG       PRO 110  -1.057   0.015  -0.646
  775   2HG   PRO 110          1HG       PRO 110  -1.419   1.649  -0.075
  776   1HD   PRO 110          2HD       PRO 110   0.780   1.085  -1.531
  777   2HD   PRO 110          1HD       PRO 110   0.754   2.359  -0.295
  778    H    PHE 111           H        PHE 111   2.010  -1.612  -0.392
  779    HA   PHE 111           HA       PHE 111   0.656  -4.137   0.429
  780   1HB   PHE 111          2HB       PHE 111   2.375  -3.634  -2.019
  781   2HB   PHE 111          1HB       PHE 111   1.130  -4.865  -1.804
  782    HD1  PHE 111           HD1      PHE 111   1.707  -1.205  -2.131
  783    HD2  PHE 111           HD2      PHE 111  -1.193  -4.387  -2.258
  784    HE1  PHE 111           HE1      PHE 111   0.006   0.367  -3.003
  785    HE2  PHE 111           HE2      PHE 111  -2.877  -2.800  -3.125
  786    HZ   PHE 111           HZ       PHE 111  -2.279  -0.424  -3.491
  787    H    ARG 112           HN       ARG 112   3.885  -3.237  -0.795
  788    HA   ARG 112           HA       ARG 112   5.234  -5.485   0.322
  789   1HB   ARG 112          2HB       ARG 112   5.858  -2.883  -0.929
  790   2HB   ARG 112          1HB       ARG 112   7.129  -3.506   0.124
  791   1HG   ARG 112          2HG       ARG 112   7.582  -5.279  -1.247
  792   2HG   ARG 112          1HG       ARG 112   5.893  -5.481  -1.713
  793   1HD   ARG 112          2HD       ARG 112   6.634  -4.603  -3.708
  794   2HD   ARG 112          1HD       ARG 112   6.444  -3.058  -2.857
  795    HE   ARG 112           HE       ARG 112   9.022  -4.566  -3.040
  796   1HH1  ARG 112          1HH2      ARG 112   8.571  -2.025  -4.599
  797   2HH1  ARG 112          2HH2      ARG 112   9.316  -0.843  -3.573
  798   1HH2  ARG 112          1HH1      ARG 112   9.387  -2.915  -0.793
  799   2HH2  ARG 112          2HH1      ARG 112   9.778  -1.348  -1.420
  Start of MODEL    5
    1    HA   PRO   6           HA       PRO   6  -2.261   5.979 -27.420
    2   1HB   PRO   6          2HB       PRO   6  -3.231   3.424 -27.364
    3   2HB   PRO   6          1HB       PRO   6  -3.103   4.373 -28.858
    4   1HG   PRO   6          2HG       PRO   6  -1.351   2.203 -27.842
    5   2HG   PRO   6          1HG       PRO   6  -1.819   2.596 -29.503
    6   1HD   PRO   6          2HD       PRO   6   0.609   3.232 -28.371
    7   2HD   PRO   6          1HD       PRO   6  -0.106   4.072 -29.764
    8    H    TRP   7           H        TRP   7  -3.629   4.910 -25.504
    9    HA   TRP   7           HA       TRP   7  -1.728   4.554 -23.240
   10   1HB   TRP   7          2HB       TRP   7  -3.519   6.325 -23.300
   11   2HB   TRP   7          1HB       TRP   7  -4.725   5.037 -23.287
   12    HD1  TRP   7           HD1      TRP   7  -1.629   4.358 -21.331
   13    HE1  TRP   7           HE1      TRP   7  -2.135   4.483 -18.814
   14    HE3  TRP   7           HE3      TRP   7  -6.299   6.380 -21.492
   15    HZ2  TRP   7           HZ2      TRP   7  -4.255   5.343 -17.082
   16    HZ3  TRP   7           HZ3      TRP   7  -7.545   6.848 -19.400
   17    HH2  TRP   7           HH2      TRP   7  -6.529   6.332 -17.196
   18    H    ALA   8           H        ALA   8  -1.431   2.529 -22.435
   19    HA   ALA   8           HA       ALA   8  -2.511   0.143 -23.389
   20   1HB   ALA   8          1HB       ALA   8  -0.566   0.515 -21.825
   21   2HB   ALA   8          2HB       ALA   8  -1.630  -0.803 -21.328
   22   3HB   ALA   8          3HB       ALA   8  -1.732   0.763 -20.522
   23    H    VAL   9           H        VAL   9  -3.914   2.427 -21.121
   24    HA   VAL   9           HA       VAL   9  -6.105   0.551 -20.414
   25    HB   VAL   9           HB       VAL   9  -5.263   3.344 -19.605
   26   1HG1  VAL   9          1HG1      VAL   9  -7.713   3.296 -19.644
   27   2HG1  VAL   9          2HG1      VAL   9  -7.142   3.267 -17.976
   28   3HG1  VAL   9          3HG1      VAL   9  -7.716   1.783 -18.737
   29   1HG2  VAL   9          1HG2      VAL   9  -5.203   2.100 -17.343
   30   2HG2  VAL   9          2HG2      VAL   9  -3.951   1.688 -18.514
   31   3HG2  VAL   9          3HG2      VAL   9  -5.336   0.620 -18.293
   32    H    LYS  10           H        LYS  10  -7.917   0.489 -21.695
   33    HA   LYS  10           HA       LYS  10  -8.331   2.471 -23.807
   34   1HB   LYS  10          2HB       LYS  10  -9.205  -0.190 -23.019
   35   2HB   LYS  10          1HB       LYS  10 -10.570   0.792 -23.552
   36   1HG   LYS  10          2HG       LYS  10  -9.844   0.858 -25.707
   37   2HG   LYS  10          1HG       LYS  10  -8.154   1.030 -25.234
   38   1HD   LYS  10          2HD       LYS  10  -9.168  -1.578 -24.474
   39   2HD   LYS  10          1HD       LYS  10  -9.399  -1.298 -26.200
   40   1HE   LYS  10          2HE       LYS  10  -7.124  -1.182 -26.625
   41   2HE   LYS  10          1HE       LYS  10  -6.751  -0.556 -25.006
   42   1HZ   LYS  10          1HZ       LYS  10  -7.909  -3.250 -25.359
   43   2HZ   LYS  10          2HZ       LYS  10  -7.032  -2.634 -24.041
   44   3HZ   LYS  10          3HZ       LYS  10  -6.234  -3.012 -25.492
   45    HA   PRO  11           HA       PRO  11 -11.350   5.018 -21.905
   46   1HB   PRO  11          2HB       PRO  11 -13.479   4.980 -23.630
   47   2HB   PRO  11          1HB       PRO  11 -11.964   5.839 -23.982
   48   1HG   PRO  11          2HG       PRO  11 -12.903   3.179 -24.945
   49   2HG   PRO  11          1HG       PRO  11 -12.034   4.452 -25.817
   50   1HD   PRO  11          2HD       PRO  11 -10.814   2.224 -24.854
   51   2HD   PRO  11          1HD       PRO  11  -9.987   3.790 -25.013
   52    H    GLU  12           H        GLU  12 -12.570   1.892 -23.016
   53    HA   GLU  12           HA       GLU  12 -14.866   1.890 -21.195
   54   1HB   GLU  12          2HB       GLU  12 -15.327  -0.187 -22.240
   55   2HB   GLU  12          1HB       GLU  12 -14.513   0.736 -23.498
   56   1HG   GLU  12          2HG       GLU  12 -13.126  -1.046 -23.666
   57   2HG   GLU  12          1HG       GLU  12 -12.400  -0.447 -22.175
   58    H    ASP  13           H        ASP  13 -11.516   0.979 -21.083
   59    HA   ASP  13           HA       ASP  13 -11.790  -0.802 -18.764
   60   1HB   ASP  13          2HB       ASP  13  -9.652   0.271 -20.556
   61   2HB   ASP  13          1HB       ASP  13  -9.159  -0.293 -18.959
   62    H    LYS  14           H        LYS  14 -10.784   2.516 -19.469
   63    HA   LYS  14           HA       LYS  14 -10.033   3.157 -16.737
   64   1HB   LYS  14          2HB       LYS  14  -9.498   4.231 -19.119
   65   2HB   LYS  14          1HB       LYS  14 -10.931   5.190 -18.746
   66   1HG   LYS  14          2HG       LYS  14  -8.652   4.882 -16.786
   67   2HG   LYS  14          1HG       LYS  14  -8.690   6.173 -17.988
   68   1HD   LYS  14          2HD       LYS  14 -11.164   6.481 -17.013
   69   2HD   LYS  14          1HD       LYS  14 -10.413   5.769 -15.585
   70   1HE   LYS  14          2HE       LYS  14  -8.953   7.564 -15.287
   71   2HE   LYS  14          1HE       LYS  14  -9.001   8.016 -17.002
   72   1HZ   LYS  14          1HZ       LYS  14 -11.095   8.402 -14.947
   73   2HZ   LYS  14          2HZ       LYS  14 -11.463   8.422 -16.606
   74   3HZ   LYS  14          3HZ       LYS  14 -10.386   9.565 -15.959
   75    H    ALA  15           H        ALA  15 -12.991   2.803 -18.428
   76    HA   ALA  15           HA       ALA  15 -14.581   4.693 -16.865
   77   1HB   ALA  15          1HB       ALA  15 -15.498   4.219 -18.956
   78   2HB   ALA  15          2HB       ALA  15 -16.392   3.070 -17.962
   79   3HB   ALA  15          3HB       ALA  15 -15.000   2.528 -18.901
   80    H    LYS  16           H        LYS  16 -14.026   1.166 -16.864
   81    HA   LYS  16           HA       LYS  16 -15.740   0.696 -14.565
   82   1HB   LYS  16          2HB       LYS  16 -15.309  -1.488 -15.108
   83   2HB   LYS  16          1HB       LYS  16 -14.629  -0.794 -16.576
   84   1HG   LYS  16          2HG       LYS  16 -12.409  -0.892 -15.700
   85   2HG   LYS  16          1HG       LYS  16 -12.993  -1.262 -14.078
   86   1HD   LYS  16          2HD       LYS  16 -12.570  -3.422 -14.689
   87   2HD   LYS  16          1HD       LYS  16 -14.138  -3.290 -15.487
   88   1HE   LYS  16          2HE       LYS  16 -13.111  -2.790 -17.610
   89   2HE   LYS  16          1HE       LYS  16 -11.516  -2.598 -16.855
   90   1HZ   LYS  16          1HZ       LYS  16 -12.207  -4.879 -17.898
   91   2HZ   LYS  16          2HZ       LYS  16 -13.007  -5.088 -16.413
   92   3HZ   LYS  16          3HZ       LYS  16 -11.329  -4.829 -16.447
   93    H    TYR  17           H        TYR  17 -12.421   1.627 -15.107
   94    HA   TYR  17           HA       TYR  17 -11.402   0.986 -12.464
   95   1HB   TYR  17          2HB       TYR  17 -10.556   2.973 -14.606
   96   2HB   TYR  17          1HB       TYR  17  -9.572   2.529 -13.214
   97    HD1  TYR  17           HD1      TYR  17 -11.373  -0.339 -14.044
   98    HD2  TYR  17           HD2      TYR  17  -8.102   2.056 -15.453
   99    HE1  TYR  17           HE1      TYR  17 -10.486  -2.286 -15.296
  100    HE2  TYR  17           HE2      TYR  17  -7.202   0.108 -16.699
  101    HH   TYR  17           HH       TYR  17  -9.020  -2.906 -16.937
  102    H    ASP  18           H        ASP  18 -12.945   3.764 -13.998
  103    HA   ASP  18           HA       ASP  18 -12.547   5.609 -11.786
  104   1HB   ASP  18          2HB       ASP  18 -13.497   5.605 -14.451
  105   2HB   ASP  18          1HB       ASP  18 -14.852   6.154 -13.463
  106    H    ALA  19           H        ALA  19 -14.854   3.091 -12.509
  107    HA   ALA  19           HA       ALA  19 -16.895   4.066 -10.635
  108   1HB   ALA  19          1HB       ALA  19 -18.113   2.499 -11.746
  109   2HB   ALA  19          2HB       ALA  19 -16.958   1.232 -11.332
  110   3HB   ALA  19          3HB       ALA  19 -16.694   2.234 -12.759
  111    H    ILE  20           H        ILE  20 -14.156   1.859 -10.668
  112    HA   ILE  20           HA       ILE  20 -14.700   0.771  -8.010
  113    HB   ILE  20           HB       ILE  20 -12.393   0.687  -9.982
  114   1HG1  ILE  20          2HG1      ILE  20 -14.188  -1.580  -9.112
  115   2HG1  ILE  20          1HG1      ILE  20 -14.656  -0.493 -10.421
  116   1HG2  ILE  20          1HG2      ILE  20 -11.713   0.444  -7.552
  117   2HG2  ILE  20          2HG2      ILE  20 -11.325  -0.931  -8.585
  118   3HG2  ILE  20          3HG2      ILE  20 -12.715  -1.006  -7.502
  119   1HD1  ILE  20          1HD1      ILE  20 -12.175  -2.228 -10.291
  120   2HD1  ILE  20          2HD1      ILE  20 -12.447  -1.000 -11.528
  121   3HD1  ILE  20          3HD1      ILE  20 -13.528  -2.390 -11.411
  122    H    PHE  21           H        PHE  21 -12.788   3.303  -9.516
  123    HA   PHE  21           HA       PHE  21 -11.204   3.968  -7.183
  124   1HB   PHE  21          2HB       PHE  21 -10.200   4.744  -9.102
  125   2HB   PHE  21          1HB       PHE  21 -11.739   4.938  -9.937
  126    HD1  PHE  21           HD1      PHE  21  -9.108   6.605  -8.114
  127    HD2  PHE  21           HD2      PHE  21 -13.220   6.919  -9.314
  128    HE1  PHE  21           HE1      PHE  21  -9.048   9.045  -7.679
  129    HE2  PHE  21           HE2      PHE  21 -13.161   9.359  -8.877
  130    HZ   PHE  21           HZ       PHE  21 -11.077  10.423  -8.059
  131    H    ASP  22           H        ASP  22 -14.245   5.070  -8.589
  132    HA   ASP  22           HA       ASP  22 -14.647   7.140  -6.526
  133   1HB   ASP  22          2HB       ASP  22 -15.274   7.536  -8.863
  134   2HB   ASP  22          1HB       ASP  22 -16.319   6.113  -8.846
  135    H    SER  23           H        SER  23 -15.030   3.828  -6.641
  136    HA   SER  23           HA       SER  23 -17.600   3.720  -5.170
  137   1HB   SER  23          2HB       SER  23 -17.451   1.885  -6.560
  138   2HB   SER  23          1HB       SER  23 -15.690   1.871  -6.515
  139    HG   SER  23           HG       SER  23 -17.424   0.428  -5.083
  140    H    LEU  24           H        LEU  24 -14.400   4.338  -4.475
  141    HA   LEU  24           HA       LEU  24 -14.500   3.132  -1.737
  142   1HB   LEU  24          2HB       LEU  24 -12.088   4.423  -2.986
  143   2HB   LEU  24          1HB       LEU  24 -12.162   3.048  -1.885
  144    HG   LEU  24           HG       LEU  24 -13.228   2.920  -4.704
  145   1HD1  LEU  24          1HD1      LEU  24 -11.121   2.888  -5.483
  146   2HD1  LEU  24          2HD1      LEU  24 -10.804   1.471  -4.487
  147   3HD1  LEU  24          3HD1      LEU  24 -10.486   3.083  -3.849
  148   1HD2  LEU  24          1HD2      LEU  24 -13.756   1.250  -2.729
  149   2HD2  LEU  24          2HD2      LEU  24 -12.135   0.649  -3.079
  150   3HD2  LEU  24          3HD2      LEU  24 -13.376   0.620  -4.333
  151    H    SER  25           H        SER  25 -14.917   5.977  -3.478
  152    HA   SER  25           HA       SER  25 -15.551   8.127  -2.626
  153   1HB   SER  25          2HB       SER  25 -14.109   7.466  -0.066
  154   2HB   SER  25          1HB       SER  25 -15.481   8.542  -0.309
  155    HG   SER  25           HG       SER  25 -16.463   6.382  -1.088
  156    HA   PRO  26           HA       PRO  26 -11.328   9.150  -3.928
  157   1HB   PRO  26          2HB       PRO  26 -12.129  11.113  -5.652
  158   2HB   PRO  26          1HB       PRO  26 -12.122   9.393  -6.087
  159   1HG   PRO  26          2HG       PRO  26 -14.389  11.122  -5.244
  160   2HG   PRO  26          1HG       PRO  26 -14.334   9.860  -6.484
  161   1HD   PRO  26          2HD       PRO  26 -15.410   9.484  -4.012
  162   2HD   PRO  26          1HD       PRO  26 -14.681   8.176  -4.970
  163    H    VAL  27           H        VAL  27 -10.055  10.920  -3.324
  164    HA   VAL  27           HA       VAL  27 -11.434  13.075  -1.759
  165    HB   VAL  27           HB       VAL  27  -8.773  11.660  -1.378
  166   1HG1  VAL  27          1HG1      VAL  27  -9.247  14.287  -0.788
  167   2HG1  VAL  27          2HG1      VAL  27  -8.128  13.258   0.108
  168   3HG1  VAL  27          3HG1      VAL  27  -9.770  13.503   0.704
  169   1HG2  VAL  27          1HG2      VAL  27 -11.209  10.769  -0.647
  170   2HG2  VAL  27          2HG2      VAL  27 -10.877  11.825   0.728
  171   3HG2  VAL  27          3HG2      VAL  27  -9.772  10.505   0.343
  172    H    ASN  28           H        ASN  28 -11.440  14.696  -3.356
  173    HA   ASN  28           HA       ASN  28 -10.500  16.417  -4.682
  174   1HB   ASN  28          2HB       ASN  28  -9.014  16.419  -2.594
  175   2HB   ASN  28          1HB       ASN  28  -7.865  15.466  -3.532
  176   1HD2  ASN  28          1HD2      ASN  28  -7.247  16.495  -5.733
  177   2HD2  ASN  28          2HD2      ASN  28  -7.085  18.185  -5.771
  178    H    GLY  29           H        GLY  29 -10.434  13.339  -5.346
  179   1HA   GLY  29          2HA       GLY  29 -10.134  12.457  -7.579
  180   2HA   GLY  29          1HA       GLY  29  -8.910  13.694  -7.871
  181    H    PHE  30           H        PHE  30  -9.041  11.683  -4.974
  182    HA   PHE  30           HA       PHE  30  -6.775  10.031  -5.963
  183   1HB   PHE  30          2HB       PHE  30  -6.728  11.960  -3.631
  184   2HB   PHE  30          1HB       PHE  30  -5.503  10.706  -3.869
  185    HD1  PHE  30           HD1      PHE  30  -6.726  13.950  -4.926
  186    HD2  PHE  30           HD2      PHE  30  -4.159  10.678  -5.975
  187    HE1  PHE  30           HE1      PHE  30  -5.574  15.395  -6.567
  188    HE2  PHE  30           HE2      PHE  30  -2.986  12.132  -7.621
  189    HZ   PHE  30           HZ       PHE  30  -3.695  14.491  -7.917
  190    H    LEU  31           H        LEU  31  -6.529   8.099  -4.852
  191    HA   LEU  31           HA       LEU  31  -8.548   7.526  -2.691
  192   1HB   LEU  31          2HB       LEU  31  -7.365   5.843  -4.911
  193   2HB   LEU  31          1HB       LEU  31  -8.133   5.111  -3.503
  194    HG   LEU  31           HG       LEU  31  -9.403   6.948  -5.536
  195   1HD1  LEU  31          1HD1      LEU  31 -10.957   4.719  -5.199
  196   2HD1  LEU  31          2HD1      LEU  31  -9.342   4.065  -4.911
  197   3HD1  LEU  31          3HD1      LEU  31  -9.709   4.874  -6.438
  198   1HD2  LEU  31          1HD2      LEU  31 -10.438   5.930  -2.872
  199   2HD2  LEU  31          2HD2      LEU  31 -11.484   6.571  -4.142
  200   3HD2  LEU  31          3HD2      LEU  31 -10.281   7.613  -3.379
  201    H    SER  32           H        SER  32  -7.624   6.840  -0.773
  202    HA   SER  32           HA       SER  32  -4.713   6.909  -0.562
  203   1HB   SER  32          2HB       SER  32  -5.137   6.817   1.762
  204   2HB   SER  32          1HB       SER  32  -6.560   7.637   1.126
  205    HG   SER  32           HG       SER  32  -6.964   5.843   2.600
  206    H    GLY  33           H        GLY  33  -3.339   5.137  -0.157
  207   1HA   GLY  33          2HA       GLY  33  -3.775   2.710  -1.429
  208   2HA   GLY  33          1HA       GLY  33  -2.721   2.863  -0.019
  209    H    ASP  34           H        ASP  34  -4.998   3.812   1.628
  210    HA   ASP  34           HA       ASP  34  -5.817   1.341   2.794
  211   1HB   ASP  34          2HB       ASP  34  -7.230   4.019   2.926
  212   2HB   ASP  34          1HB       ASP  34  -7.190   2.769   4.170
  213    H    LYS  35           H        LYS  35  -7.152   3.237   0.148
  214    HA   LYS  35           HA       LYS  35  -9.648   1.622   0.146
  215   1HB   LYS  35          2HB       LYS  35  -8.743   3.926  -1.611
  216   2HB   LYS  35          1HB       LYS  35 -10.393   3.339  -1.405
  217   1HG   LYS  35          2HG       LYS  35  -9.864   3.839   1.160
  218   2HG   LYS  35          1HG       LYS  35  -8.714   4.972   0.451
  219   1HD   LYS  35          2HD       LYS  35 -10.584   5.909  -0.939
  220   2HD   LYS  35          1HD       LYS  35 -11.701   4.870  -0.053
  221   1HE   LYS  35          2HE       LYS  35 -11.343   6.023   1.988
  222   2HE   LYS  35          1HE       LYS  35  -9.846   6.771   1.399
  223   1HZ   LYS  35          1HZ       LYS  35 -11.671   7.495  -0.466
  224   2HZ   LYS  35          2HZ       LYS  35 -11.147   8.476   0.819
  225   3HZ   LYS  35          3HZ       LYS  35 -12.578   7.571   0.966
  226    H    VAL  36           H        VAL  36  -6.668   2.251  -1.616
  227    HA   VAL  36           HA       VAL  36  -7.413   0.534  -3.888
  228    HB   VAL  36           HB       VAL  36  -4.825   1.835  -3.003
  229   1HG1  VAL  36          1HG1      VAL  36  -4.865  -0.209  -4.649
  230   2HG1  VAL  36          2HG1      VAL  36  -3.899   1.208  -5.052
  231   3HG1  VAL  36          3HG1      VAL  36  -5.477   0.971  -5.804
  232   1HG2  VAL  36          1HG2      VAL  36  -5.411   3.650  -4.388
  233   2HG2  VAL  36          2HG2      VAL  36  -6.937   3.244  -3.600
  234   3HG2  VAL  36          3HG2      VAL  36  -6.629   2.713  -5.255
  235    H    LYS  37           H        LYS  37  -5.054   0.370  -1.196
  236    HA   LYS  37           HA       LYS  37  -3.756  -2.008  -1.611
  237   1HB   LYS  37          2HB       LYS  37  -3.329  -0.716   0.342
  238   2HB   LYS  37          1HB       LYS  37  -5.003  -0.833   0.877
  239   1HG   LYS  37          2HG       LYS  37  -4.761  -3.006   1.640
  240   2HG   LYS  37          1HG       LYS  37  -3.448  -3.363   0.516
  241   1HD   LYS  37          2HD       LYS  37  -1.847  -2.521   1.909
  242   2HD   LYS  37          1HD       LYS  37  -2.893  -1.226   2.493
  243   1HE   LYS  37          2HE       LYS  37  -4.199  -3.054   3.750
  244   2HE   LYS  37          1HE       LYS  37  -2.814  -4.109   3.407
  245   1HZ   LYS  37          1HZ       LYS  37  -3.005  -1.895   5.230
  246   2HZ   LYS  37          2HZ       LYS  37  -1.662  -1.778   4.196
  247   3HZ   LYS  37          3HZ       LYS  37  -1.867  -3.150   5.175
  248    HA   PRO  38           HA       PRO  38  -7.421  -4.619   0.105
  249   1HB   PRO  38          2HB       PRO  38  -9.868  -3.388   0.182
  250   2HB   PRO  38          1HB       PRO  38  -8.757  -3.418   1.568
  251   1HG   PRO  38          2HG       PRO  38  -9.229  -1.260  -0.438
  252   2HG   PRO  38          1HG       PRO  38  -9.020  -1.138   1.317
  253   1HD   PRO  38          2HD       PRO  38  -7.030  -0.566  -0.391
  254   2HD   PRO  38          1HD       PRO  38  -6.728  -1.312   1.195
  255    H    VAL  39           H        VAL  39  -8.020  -2.132  -2.296
  256    HA   VAL  39           HA       VAL  39  -9.840  -3.622  -3.965
  257    HB   VAL  39           HB       VAL  39  -8.120  -1.178  -4.088
  258   1HG1  VAL  39          1HG1      VAL  39  -8.774  -2.806  -6.437
  259   2HG1  VAL  39          2HG1      VAL  39  -7.662  -1.445  -6.285
  260   3HG1  VAL  39          3HG1      VAL  39  -9.380  -1.156  -6.552
  261   1HG2  VAL  39          1HG2      VAL  39 -10.782  -1.754  -3.541
  262   2HG2  VAL  39          2HG2      VAL  39 -10.828  -1.094  -5.177
  263   3HG2  VAL  39          3HG2      VAL  39 -10.118  -0.153  -3.864
  264    H    LEU  40           H        LEU  40  -6.330  -3.431  -3.671
  265    HA   LEU  40           HA       LEU  40  -5.871  -5.006  -6.127
  266   1HB   LEU  40          2HB       LEU  40  -4.023  -4.039  -3.923
  267   2HB   LEU  40          1HB       LEU  40  -3.533  -4.607  -5.521
  268    HG   LEU  40           HG       LEU  40  -5.416  -2.284  -5.111
  269   1HD1  LEU  40          1HD1      LEU  40  -2.437  -2.457  -5.131
  270   2HD1  LEU  40          2HD1      LEU  40  -3.502  -1.373  -4.237
  271   3HD1  LEU  40          3HD1      LEU  40  -3.194  -1.089  -5.948
  272   1HD2  LEU  40          1HD2      LEU  40  -3.771  -3.271  -7.451
  273   2HD2  LEU  40          2HD2      LEU  40  -4.794  -1.832  -7.458
  274   3HD2  LEU  40          3HD2      LEU  40  -5.520  -3.430  -7.277
  275    H    LEU  41           H        LEU  41  -6.020  -5.463  -2.653
  276    HA   LEU  41           HA       LEU  41  -4.720  -8.046  -2.586
  277   1HB   LEU  41          2HB       LEU  41  -6.612  -6.509  -0.791
  278   2HB   LEU  41          1HB       LEU  41  -5.951  -8.082  -0.341
  279    HG   LEU  41           HG       LEU  41  -4.156  -5.827  -1.221
  280   1HD1  LEU  41          1HD1      LEU  41  -3.913  -5.129   1.069
  281   2HD1  LEU  41          2HD1      LEU  41  -4.922  -6.459   1.641
  282   3HD1  LEU  41          3HD1      LEU  41  -5.642  -5.139   0.717
  283   1HD2  LEU  41          1HD2      LEU  41  -3.478  -8.325  -1.014
  284   2HD2  LEU  41          2HD2      LEU  41  -3.600  -8.067   0.726
  285   3HD2  LEU  41          3HD2      LEU  41  -2.449  -7.127  -0.225
  286    H    ASN  42           H        ASN  42  -7.727  -6.937  -3.742
  287    HA   ASN  42           HA       ASN  42  -9.152  -9.449  -3.197
  288   1HB   ASN  42          2HB       ASN  42 -10.459  -7.481  -3.013
  289   2HB   ASN  42          1HB       ASN  42  -9.779  -6.795  -4.488
  290   1HD2  ASN  42          1HD2      ASN  42 -10.841  -7.262  -6.457
  291   2HD2  ASN  42          2HD2      ASN  42 -12.161  -8.321  -6.593
  292    H    SER  43           H        SER  43  -6.961  -8.376  -5.518
  293    HA   SER  43           HA       SER  43  -8.185  -9.649  -7.864
  294   1HB   SER  43          2HB       SER  43  -6.388  -8.664  -8.982
  295   2HB   SER  43          1HB       SER  43  -6.548  -7.602  -7.587
  296    HG   SER  43           HG       SER  43  -4.518  -8.126  -7.326
  297    H    LYS  44           H        LYS  44  -7.142 -11.090  -5.212
  298    HA   LYS  44           HA       LYS  44  -6.328 -13.260  -4.764
  299   1HB   LYS  44          2HB       LYS  44  -7.847 -13.618  -6.791
  300   2HB   LYS  44          1HB       LYS  44  -6.383 -13.582  -7.775
  301   1HG   LYS  44          2HG       LYS  44  -6.547 -15.861  -7.354
  302   2HG   LYS  44          1HG       LYS  44  -5.536 -15.357  -5.999
  303   1HD   LYS  44          2HD       LYS  44  -8.539 -15.370  -5.752
  304   2HD   LYS  44          1HD       LYS  44  -7.604 -16.844  -5.490
  305   1HE   LYS  44          2HE       LYS  44  -6.174 -15.016  -4.008
  306   2HE   LYS  44          1HE       LYS  44  -7.845 -14.465  -3.769
  307   1HZ   LYS  44          1HZ       LYS  44  -8.462 -16.796  -3.336
  308   2HZ   LYS  44          2HZ       LYS  44  -7.365 -16.191  -2.188
  309   3HZ   LYS  44          3HZ       LYS  44  -6.825 -17.233  -3.417
  310    H    LEU  45           H        LEU  45  -4.575 -10.881  -6.082
  311    HA   LEU  45           HA       LEU  45  -2.173 -12.484  -6.806
  312   1HB   LEU  45          2HB       LEU  45  -3.084  -9.628  -6.990
  313   2HB   LEU  45          1HB       LEU  45  -1.362  -9.989  -7.086
  314    HG   LEU  45           HG       LEU  45  -3.511 -11.198  -8.846
  315   1HD1  LEU  45          1HD1      LEU  45  -2.088  -9.900 -10.589
  316   2HD1  LEU  45          2HD1      LEU  45  -1.499  -8.987  -9.203
  317   3HD1  LEU  45          3HD1      LEU  45  -3.216  -8.980  -9.594
  318   1HD2  LEU  45          1HD2      LEU  45  -1.962 -12.710  -9.503
  319   2HD2  LEU  45          2HD2      LEU  45  -0.970 -12.187  -8.142
  320   3HD2  LEU  45          3HD2      LEU  45  -0.752 -11.450  -9.727
  321    HA   PRO  46           HA       PRO  46  -0.379 -11.888  -2.859
  322   1HB   PRO  46          2HB       PRO  46   2.279 -11.857  -3.515
  323   2HB   PRO  46          1HB       PRO  46   1.297 -13.334  -3.535
  324   1HG   PRO  46          2HG       PRO  46   2.212 -11.644  -5.783
  325   2HG   PRO  46          1HG       PRO  46   1.977 -13.394  -5.705
  326   1HD   PRO  46          2HD       PRO  46   0.218 -11.623  -6.879
  327   2HD   PRO  46          1HD       PRO  46  -0.210 -13.249  -6.309
  328    H    VAL  47           H        VAL  47   1.280 -10.314  -1.763
  329    HA   VAL  47           HA       VAL  47   0.580  -7.603  -2.480
  330    HB   VAL  47           HB       VAL  47   2.203  -9.055  -0.414
  331   1HG1  VAL  47          1HG1      VAL  47   2.154  -6.059  -0.773
  332   2HG1  VAL  47          2HG1      VAL  47   3.560  -7.084  -1.038
  333   3HG1  VAL  47          3HG1      VAL  47   2.879  -6.921   0.582
  334   1HG2  VAL  47          1HG2      VAL  47  -0.420  -8.123  -0.628
  335   2HG2  VAL  47          2HG2      VAL  47   0.373  -6.950   0.424
  336   3HG2  VAL  47          3HG2      VAL  47   0.376  -8.662   0.850
  337    H    ASP  48           H        ASP  48   2.789  -9.734  -3.790
  338    HA   ASP  48           HA       ASP  48   5.025  -7.887  -4.164
  339   1HB   ASP  48          2HB       ASP  48   4.295 -10.682  -4.711
  340   2HB   ASP  48          1HB       ASP  48   5.298  -9.952  -5.961
  341    H    ILE  49           H        ILE  49   2.151  -8.940  -5.890
  342    HA   ILE  49           HA       ILE  49   2.884  -7.574  -8.388
  343    HB   ILE  49           HB       ILE  49   0.152  -8.555  -7.538
  344   1HG1  ILE  49          2HG1      ILE  49   1.702 -10.349  -6.972
  345   2HG1  ILE  49          1HG1      ILE  49   0.825 -10.784  -8.436
  346   1HG2  ILE  49          1HG2      ILE  49   1.638  -8.257 -10.153
  347   2HG2  ILE  49          2HG2      ILE  49   0.142  -7.466  -9.658
  348   3HG2  ILE  49          3HG2      ILE  49   0.152  -9.194 -10.015
  349   1HD1  ILE  49          1HD1      ILE  49   2.737  -9.908  -9.785
  350   2HD1  ILE  49          2HD1      ILE  49   3.173 -11.280  -8.763
  351   3HD1  ILE  49          3HD1      ILE  49   3.622  -9.643  -8.281
  352    H    LEU  50           H        LEU  50   0.729  -7.132  -5.629
  353    HA   LEU  50           HA       LEU  50  -0.440  -4.644  -6.569
  354   1HB   LEU  50          2HB       LEU  50  -0.199  -5.718  -3.748
  355   2HB   LEU  50          1HB       LEU  50  -1.454  -4.658  -4.388
  356    HG   LEU  50           HG       LEU  50  -0.976  -7.558  -5.133
  357   1HD1  LEU  50          1HD1      LEU  50  -3.282  -7.819  -4.218
  358   2HD1  LEU  50          2HD1      LEU  50  -3.248  -6.123  -3.732
  359   3HD1  LEU  50          3HD1      LEU  50  -2.125  -7.272  -3.004
  360   1HD2  LEU  50          1HD2      LEU  50  -1.962  -7.069  -7.105
  361   2HD2  LEU  50          2HD2      LEU  50  -2.219  -5.395  -6.612
  362   3HD2  LEU  50          3HD2      LEU  50  -3.413  -6.628  -6.205
  363    H    GLY  51           H        GLY  51   2.422  -5.585  -4.786
  364   1HA   GLY  51          2HA       GLY  51   2.953  -2.943  -3.675
  365   2HA   GLY  51          1HA       GLY  51   4.112  -4.275  -3.771
  366    H    ARG  52           H        ARG  52   3.470  -4.587  -6.666
  367    HA   ARG  52           HA       ARG  52   5.283  -2.451  -7.666
  368   1HB   ARG  52          2HB       ARG  52   5.015  -5.257  -7.994
  369   2HB   ARG  52          1HB       ARG  52   4.643  -4.521  -9.554
  370   1HG   ARG  52          2HG       ARG  52   6.766  -3.070  -9.076
  371   2HG   ARG  52          1HG       ARG  52   7.176  -4.363  -7.950
  372   1HD   ARG  52          2HD       ARG  52   6.282  -5.352 -10.577
  373   2HD   ARG  52          1HD       ARG  52   7.781  -4.404 -10.637
  374    HE   ARG  52           HE       ARG  52   8.826  -6.193  -9.526
  375   1HH1  ARG  52          1HH2      ARG  52   5.510  -6.819  -9.600
  376   2HH1  ARG  52          2HH2      ARG  52   5.513  -7.895  -8.243
  377   1HH2  ARG  52          2HH1      ARG  52   8.823  -7.265  -7.414
  378   2HH2  ARG  52          1HH1      ARG  52   7.391  -8.149  -7.005
  379    H    VAL  53           H        VAL  53   2.027  -3.769  -8.022
  380    HA   VAL  53           HA       VAL  53   1.454  -2.346 -10.499
  381    HB   VAL  53           HB       VAL  53  -0.152  -3.744  -8.355
  382   1HG1  VAL  53          1HG1      VAL  53  -1.774  -3.192 -10.638
  383   2HG1  VAL  53          2HG1      VAL  53  -1.102  -1.660 -10.088
  384   3HG1  VAL  53          3HG1      VAL  53  -2.032  -2.663  -8.976
  385   1HG2  VAL  53          1HG2      VAL  53   1.223  -4.567 -10.639
  386   2HG2  VAL  53          2HG2      VAL  53  -0.463  -4.515 -11.166
  387   3HG2  VAL  53          3HG2      VAL  53   0.001  -5.503  -9.776
  388    H    TRP  54           H        TRP  54   0.975  -1.681  -7.023
  389    HA   TRP  54           HA       TRP  54  -0.465   0.791  -7.380
  390   1HB   TRP  54          2HB       TRP  54  -0.510  -0.129  -5.199
  391   2HB   TRP  54          1HB       TRP  54   1.228  -0.437  -5.198
  392    HD1  TRP  54           HD1      TRP  54   2.834   1.791  -5.149
  393    HE1  TRP  54           HE1      TRP  54   2.466   4.060  -4.018
  394    HE3  TRP  54           HE3      TRP  54  -2.209   1.572  -4.345
  395    HZ2  TRP  54           HZ2      TRP  54   0.334   5.578  -2.876
  396    HZ3  TRP  54           HZ3      TRP  54  -3.377   3.459  -3.197
  397    HH2  TRP  54           HH2      TRP  54  -2.110   5.444  -2.477
  398    H    GLU  55           H        GLU  55   3.010   0.098  -6.774
  399    HA   GLU  55           HA       GLU  55   3.951   2.760  -6.899
  400   1HB   GLU  55          2HB       GLU  55   5.242   0.171  -7.809
  401   2HB   GLU  55          1HB       GLU  55   6.104   1.664  -7.423
  402   1HG   GLU  55          2HG       GLU  55   4.218   0.583  -5.383
  403   2HG   GLU  55          1HG       GLU  55   5.759  -0.248  -5.598
  404    H    LEU  56           H        LEU  56   3.837   0.355  -9.535
  405    HA   LEU  56           HA       LEU  56   4.568   2.223 -11.593
  406   1HB   LEU  56          2HB       LEU  56   2.941  -0.344 -11.721
  407   2HB   LEU  56          1HB       LEU  56   3.805   0.407 -13.065
  408    HG   LEU  56           HG       LEU  56   5.255  -0.335 -10.531
  409   1HD1  LEU  56          1HD1      LEU  56   3.898  -2.234 -11.922
  410   2HD1  LEU  56          2HD1      LEU  56   5.429  -2.537 -11.098
  411   3HD1  LEU  56          3HD1      LEU  56   5.411  -2.197 -12.829
  412   1HD2  LEU  56          1HD2      LEU  56   6.802  -0.716 -12.869
  413   2HD2  LEU  56          2HD2      LEU  56   6.944   0.603 -11.706
  414   3HD2  LEU  56          3HD2      LEU  56   5.908   0.785 -13.125
  415    H    SER  57           H        SER  57   1.752   1.832  -9.713
  416    HA   SER  57           HA       SER  57  -0.068   3.077 -11.709
  417   1HB   SER  57          2HB       SER  57  -1.161   1.387 -10.530
  418   2HB   SER  57          1HB       SER  57  -0.263   1.706  -9.047
  419    HG   SER  57           HG       SER  57  -2.156   3.481 -10.201
  420    H    ASP  58           H        ASP  58   1.718   3.729  -8.761
  421    HA   ASP  58           HA       ASP  58   0.454   6.265  -8.131
  422   1HB   ASP  58          2HB       ASP  58   1.987   4.470  -6.819
  423   2HB   ASP  58          1HB       ASP  58   3.239   5.622  -7.288
  424    H    ILE  59           H        ILE  59   0.602   7.719  -9.883
  425    HA   ILE  59           HA       ILE  59   3.082   8.031 -11.402
  426    HB   ILE  59           HB       ILE  59   0.570   9.722 -11.264
  427   1HG1  ILE  59          2HG1      ILE  59   0.193   7.270 -11.763
  428   2HG1  ILE  59          1HG1      ILE  59  -0.286   8.353 -13.069
  429   1HG2  ILE  59          1HG2      ILE  59   1.488   9.879 -13.809
  430   2HG2  ILE  59          2HG2      ILE  59   3.012   9.697 -12.936
  431   3HG2  ILE  59          3HG2      ILE  59   1.924  11.029 -12.544
  432   1HD1  ILE  59          1HD1      ILE  59   0.962   6.467 -13.992
  433   2HD1  ILE  59          2HD1      ILE  59   2.310   6.791 -12.898
  434   3HD1  ILE  59          3HD1      ILE  59   1.913   7.944 -14.175
  435    H    ASP  60           H        ASP  60   1.530   9.652  -8.668
  436    HA   ASP  60           HA       ASP  60   3.605  11.802  -8.733
  437   1HB   ASP  60          2HB       ASP  60   1.355  11.661  -6.751
  438   2HB   ASP  60          1HB       ASP  60   2.069  13.073  -7.525
  439    H    HIS  61           H        HIS  61   2.733   8.906  -7.051
  440    HA   HIS  61           HA       HIS  61   3.825   7.791  -5.260
  441   1HB   HIS  61          2HB       HIS  61   5.836  10.052  -5.375
  442   2HB   HIS  61          1HB       HIS  61   6.110   8.376  -4.906
  443    HD1  HIS  61           HD1      HIS  61   7.590   9.933  -7.292
  444    HD2  HIS  61           HD2      HIS  61   4.479   7.192  -7.685
  445    HE1  HIS  61           HE1      HIS  61   7.748   9.007  -9.644
  446    H    ASP  62           H        ASP  62   1.733   9.658  -4.689
  447    HA   ASP  62           HA       ASP  62   2.689  11.141  -2.281
  448   1HB   ASP  62          2HB       ASP  62   0.431  12.211  -2.501
  449   2HB   ASP  62          1HB       ASP  62   1.408  12.370  -3.962
  450    H    GLY  63           H        GLY  63   1.372   8.153  -3.064
  451   1HA   GLY  63          2HA       GLY  63   0.828   6.497  -1.390
  452   2HA   GLY  63          1HA       GLY  63   0.435   7.800  -0.272
  453    H    MET  64           H        MET  64  -0.785   7.898  -3.552
  454    HA   MET  64           HA       MET  64  -3.393   6.773  -2.748
  455   1HB   MET  64          2HB       MET  64  -3.430   9.545  -3.884
  456   2HB   MET  64          1HB       MET  64  -4.592   8.760  -2.819
  457   1HG   MET  64          2HG       MET  64  -3.165   9.041  -0.916
  458   2HG   MET  64          1HG       MET  64  -1.815   9.559  -1.926
  459   1HE   MET  64          1HE       MET  64  -4.867  10.038  -0.215
  460   2HE   MET  64          2HE       MET  64  -5.804  10.910  -1.424
  461   3HE   MET  64          3HE       MET  64  -5.129  11.779  -0.049
  462    H    LEU  65           H        LEU  65  -4.878   6.608  -4.624
  463    HA   LEU  65           HA       LEU  65  -3.419   6.658  -7.251
  464   1HB   LEU  65          2HB       LEU  65  -5.385   4.741  -5.983
  465   2HB   LEU  65          1HB       LEU  65  -5.127   4.755  -7.726
  466    HG   LEU  65           HG       LEU  65  -3.097   4.170  -5.559
  467   1HD1  LEU  65          1HD1      LEU  65  -3.032   2.016  -6.475
  468   2HD1  LEU  65          2HD1      LEU  65  -3.671   2.552  -8.029
  469   3HD1  LEU  65          3HD1      LEU  65  -4.740   2.432  -6.631
  470   1HD2  LEU  65          1HD2      LEU  65  -2.705   4.826  -8.489
  471   2HD2  LEU  65          2HD2      LEU  65  -1.518   3.910  -7.561
  472   3HD2  LEU  65          3HD2      LEU  65  -1.912   5.564  -7.098
  473    H    ASP  66           H        ASP  66  -4.256   8.612  -8.124
  474    HA   ASP  66           HA       ASP  66  -7.000   9.449  -7.729
  475   1HB   ASP  66          2HB       ASP  66  -6.393  11.188  -9.347
  476   2HB   ASP  66          1HB       ASP  66  -5.080  10.955  -8.200
  477    H    ARG  67           H        ARG  67  -8.489   9.803  -9.625
  478    HA   ARG  67           HA       ARG  67  -9.535   7.571 -10.771
  479   1HB   ARG  67          2HB       ARG  67 -10.356   9.092 -12.558
  480   2HB   ARG  67          1HB       ARG  67 -10.449   9.829 -10.959
  481   1HG   ARG  67          2HG       ARG  67  -8.196  10.887 -11.425
  482   2HG   ARG  67          1HG       ARG  67  -8.352  10.317 -13.087
  483   1HD   ARG  67          2HD       ARG  67 -10.240  11.700 -13.505
  484   2HD   ARG  67          1HD       ARG  67 -10.510  11.990 -11.775
  485    HE   ARG  67           HE       ARG  67  -8.144  13.038 -13.285
  486   1HH1  ARG  67          1HH2      ARG  67 -10.339  14.936 -12.628
  487   2HH1  ARG  67          2HH2      ARG  67  -9.807  15.621 -11.128
  488   1HH2  ARG  67          2HH1      ARG  67  -7.482  13.122 -10.511
  489   2HH2  ARG  67          1HH1      ARG  67  -8.190  14.592  -9.929
  490    H    ASP  68           H        ASP  68  -6.898   9.445 -12.298
  491    HA   ASP  68           HA       ASP  68  -6.675   7.609 -14.548
  492   1HB   ASP  68          2HB       ASP  68  -5.082   9.919 -13.427
  493   2HB   ASP  68          1HB       ASP  68  -4.525   9.018 -14.839
  494    H    GLU  69           H        GLU  69  -4.933   8.074 -11.489
  495    HA   GLU  69           HA       GLU  69  -2.849   6.140 -12.085
  496   1HB   GLU  69          2HB       GLU  69  -3.955   7.433  -9.579
  497   2HB   GLU  69          1HB       GLU  69  -2.557   6.355  -9.555
  498   1HG   GLU  69          2HG       GLU  69  -1.536   7.842 -11.351
  499   2HG   GLU  69          1HG       GLU  69  -2.831   8.987 -11.011
  500    H    PHE  70           H        PHE  70  -5.888   6.042 -10.233
  501    HA   PHE  70           HA       PHE  70  -5.734   3.321  -9.375
  502   1HB   PHE  70          2HB       PHE  70  -7.323   5.313  -8.790
  503   2HB   PHE  70          1HB       PHE  70  -8.258   4.778 -10.186
  504    HD1  PHE  70           HD1      PHE  70  -7.473   4.193  -6.719
  505    HD2  PHE  70           HD2      PHE  70  -9.064   2.359 -10.260
  506    HE1  PHE  70           HE1      PHE  70  -8.524   2.430  -5.332
  507    HE2  PHE  70           HE2      PHE  70 -10.117   0.594  -8.871
  508    HZ   PHE  70           HZ       PHE  70  -9.847   0.636  -6.409
  509    H    ALA  71           H        ALA  71  -6.224   4.752 -12.480
  510    HA   ALA  71           HA       ALA  71  -7.671   2.498 -13.671
  511   1HB   ALA  71          1HB       ALA  71  -7.514   5.054 -14.303
  512   2HB   ALA  71          2HB       ALA  71  -7.622   3.855 -15.592
  513   3HB   ALA  71          3HB       ALA  71  -6.059   4.555 -15.167
  514    H    VAL  72           H        VAL  72  -4.350   3.746 -13.744
  515    HA   VAL  72           HA       VAL  72  -3.201   1.769 -15.452
  516    HB   VAL  72           HB       VAL  72  -1.996   3.299 -13.118
  517   1HG1  VAL  72          1HG1      VAL  72  -0.525   1.540 -13.970
  518   2HG1  VAL  72          2HG1      VAL  72   0.091   3.120 -14.454
  519   3HG1  VAL  72          3HG1      VAL  72  -0.765   2.112 -15.620
  520   1HG2  VAL  72          1HG2      VAL  72  -1.421   5.003 -14.834
  521   2HG2  VAL  72          2HG2      VAL  72  -3.169   4.811 -14.666
  522   3HG2  VAL  72          3HG2      VAL  72  -2.331   4.082 -16.034
  523    H    ALA  73           H        ALA  73  -4.086   1.732 -12.061
  524    HA   ALA  73           HA       ALA  73  -2.543  -0.726 -11.499
  525   1HB   ALA  73          1HB       ALA  73  -3.136  -0.247  -9.254
  526   2HB   ALA  73          2HB       ALA  73  -4.557   0.680  -9.742
  527   3HB   ALA  73          3HB       ALA  73  -2.940   1.337 -10.004
  528    H    MET  74           H        MET  74  -5.614   0.002 -12.797
  529    HA   MET  74           HA       MET  74  -7.038  -2.275 -11.599
  530   1HB   MET  74          2HB       MET  74  -7.607  -0.266 -13.792
  531   2HB   MET  74          1HB       MET  74  -8.755  -1.525 -13.332
  532   1HG   MET  74          2HG       MET  74  -7.620   0.054 -11.099
  533   2HG   MET  74          1HG       MET  74  -8.705   0.931 -12.179
  534   1HE   MET  74          1HE       MET  74  -9.549  -1.801  -8.854
  535   2HE   MET  74          2HE       MET  74  -8.060  -1.054  -9.435
  536   3HE   MET  74          3HE       MET  74  -8.558  -2.622 -10.069
  537    H    PHE  75           H        PHE  75  -5.758  -1.466 -14.838
  538    HA   PHE  75           HA       PHE  75  -6.362  -4.122 -15.881
  539   1HB   PHE  75          2HB       PHE  75  -5.597  -3.200 -17.888
  540   2HB   PHE  75          1HB       PHE  75  -6.032  -1.735 -17.012
  541    HD1  PHE  75           HD1      PHE  75  -3.253  -3.841 -18.196
  542    HD2  PHE  75           HD2      PHE  75  -4.336  -0.262 -16.088
  543    HE1  PHE  75           HE1      PHE  75  -0.913  -3.042 -18.354
  544    HE2  PHE  75           HE2      PHE  75  -2.001   0.539 -16.245
  545    HZ   PHE  75           HZ       PHE  75  -0.284  -0.856 -17.376
  546    H    LEU  76           H        LEU  76  -3.710  -2.507 -14.284
  547    HA   LEU  76           HA       LEU  76  -1.624  -4.419 -14.819
  548   1HB   LEU  76          2HB       LEU  76  -2.209  -2.127 -13.039
  549   2HB   LEU  76          1HB       LEU  76  -1.033  -3.277 -12.406
  550    HG   LEU  76           HG       LEU  76  -0.881  -2.002 -15.152
  551   1HD1  LEU  76          1HD1      LEU  76   1.090  -1.437 -12.981
  552   2HD1  LEU  76          2HD1      LEU  76  -0.480  -0.639 -12.879
  553   3HD1  LEU  76          3HD1      LEU  76   0.540  -0.398 -14.297
  554   1HD2  LEU  76          1HD2      LEU  76   0.215  -4.358 -14.343
  555   2HD2  LEU  76          2HD2      LEU  76   1.475  -3.232 -13.837
  556   3HD2  LEU  76          3HD2      LEU  76   0.971  -3.291 -15.526
  557    H    VAL  77           H        VAL  77  -4.286  -4.220 -12.561
  558    HA   VAL  77           HA       VAL  77  -3.332  -6.523 -10.965
  559    HB   VAL  77           HB       VAL  77  -5.691  -4.618 -10.904
  560   1HG1  VAL  77          1HG1      VAL  77  -6.390  -6.905 -10.170
  561   2HG1  VAL  77          2HG1      VAL  77  -6.432  -5.728  -8.857
  562   3HG1  VAL  77          3HG1      VAL  77  -5.101  -6.881  -8.966
  563   1HG2  VAL  77          1HG2      VAL  77  -3.876  -5.004  -8.589
  564   2HG2  VAL  77          2HG2      VAL  77  -4.537  -3.516  -9.269
  565   3HG2  VAL  77          3HG2      VAL  77  -3.140  -4.285 -10.021
  566    H    TYR  78           H        TYR  78  -5.546  -5.813 -13.568
  567    HA   TYR  78           HA       TYR  78  -6.983  -8.377 -13.253
  568   1HB   TYR  78          2HB       TYR  78  -7.264  -5.811 -14.651
  569   2HB   TYR  78          1HB       TYR  78  -7.733  -7.194 -15.644
  570    HD1  TYR  78           HD1      TYR  78  -9.126  -4.833 -13.644
  571    HD2  TYR  78           HD2      TYR  78  -8.887  -9.114 -13.924
  572    HE1  TYR  78           HE1      TYR  78 -11.241  -5.031 -12.367
  573    HE2  TYR  78           HE2      TYR  78 -11.007  -9.314 -12.647
  574    HH   TYR  78           HH       TYR  78 -12.234  -7.646 -10.846
  575    H    CYS  79           H        CYS  79  -4.462  -6.922 -15.222
  576    HA   CYS  79           HA       CYS  79  -4.430  -9.159 -17.138
  577   1HB   CYS  79          2HB       CYS  79  -2.586  -6.786 -16.661
  578   2HB   CYS  79          1HB       CYS  79  -2.524  -7.851 -18.067
  579    HG   CYS  79           HG       CYS  79  -4.843  -6.962 -18.821
  580    H    ALA  80           H        ALA  80  -3.060  -8.437 -14.048
  581    HA   ALA  80           HA       ALA  80  -0.698 -10.156 -14.409
  582   1HB   ALA  80          1HB       ALA  80  -0.538  -8.309 -12.874
  583   2HB   ALA  80          2HB       ALA  80  -0.607  -9.762 -11.877
  584   3HB   ALA  80          3HB       ALA  80  -2.046  -8.761 -12.079
  585    H    LEU  81           H        LEU  81  -4.009 -10.556 -13.913
  586    HA   LEU  81           HA       LEU  81  -3.819 -13.066 -12.371
  587   1HB   LEU  81          2HB       LEU  81  -6.273 -11.900 -13.665
  588   2HB   LEU  81          1HB       LEU  81  -6.155 -12.804 -12.157
  589    HG   LEU  81           HG       LEU  81  -5.325  -9.957 -12.695
  590   1HD1  LEU  81          1HD1      LEU  81  -7.342  -9.567 -11.769
  591   2HD1  LEU  81          2HD1      LEU  81  -6.723 -10.249 -10.267
  592   3HD1  LEU  81          3HD1      LEU  81  -7.564 -11.282 -11.423
  593   1HD2  LEU  81          1HD2      LEU  81  -3.499 -10.782 -11.430
  594   2HD2  LEU  81          2HD2      LEU  81  -4.536 -11.827 -10.460
  595   3HD2  LEU  81          3HD2      LEU  81  -4.575 -10.081 -10.223
  596    H    GLU  82           H        GLU  82  -5.008 -11.975 -15.561
  597    HA   GLU  82           HA       GLU  82  -4.627 -14.791 -16.540
  598   1HB   GLU  82          2HB       GLU  82  -6.720 -13.058 -17.750
  599   2HB   GLU  82          1HB       GLU  82  -6.761 -14.785 -17.403
  600   1HG   GLU  82          2HG       GLU  82  -6.955 -12.595 -15.312
  601   2HG   GLU  82          1HG       GLU  82  -8.333 -13.477 -15.973
  602    H    LYS  83           H        LYS  83  -2.769 -12.429 -16.886
  603    HA   LYS  83           HA       LYS  83  -2.650 -12.598 -19.849
  604   1HB   LYS  83          2HB       LYS  83  -4.088 -10.683 -19.403
  605   2HB   LYS  83          1HB       LYS  83  -2.906 -10.019 -18.277
  606   1HG   LYS  83          2HG       LYS  83  -1.870  -8.980 -19.977
  607   2HG   LYS  83          1HG       LYS  83  -1.556 -10.543 -20.734
  608   1HD   LYS  83          2HD       LYS  83  -3.829 -10.476 -21.749
  609   2HD   LYS  83          1HD       LYS  83  -4.066  -8.871 -21.056
  610   1HE   LYS  83          2HE       LYS  83  -2.830  -7.887 -22.689
  611   2HE   LYS  83          1HE       LYS  83  -1.543  -9.101 -22.543
  612   1HZ   LYS  83          1HZ       LYS  83  -2.926  -9.106 -24.678
  613   2HZ   LYS  83          2HZ       LYS  83  -4.165  -9.776 -23.729
  614   3HZ   LYS  83          3HZ       LYS  83  -2.684 -10.593 -23.897
  615    H    GLU  84           H        GLU  84  -1.056 -10.101 -17.961
  616    HA   GLU  84           HA       GLU  84   1.491 -11.675 -18.089
  617   1HB   GLU  84          2HB       GLU  84   2.601  -9.757 -19.042
  618   2HB   GLU  84          1HB       GLU  84   1.144 -10.032 -19.997
  619   1HG   GLU  84          2HG       GLU  84   0.356  -8.363 -17.862
  620   2HG   GLU  84          1HG       GLU  84   1.882  -7.705 -18.448
  621    HA   PRO  85           HA       PRO  85   2.082 -10.353 -13.960
  622   1HB   PRO  85          2HB       PRO  85   4.814 -10.092 -13.894
  623   2HB   PRO  85          1HB       PRO  85   3.987 -11.663 -13.909
  624   1HG   PRO  85          2HG       PRO  85   5.222 -10.158 -16.175
  625   2HG   PRO  85          1HG       PRO  85   5.316 -11.885 -15.788
  626   1HD   PRO  85          2HD       PRO  85   3.661 -10.954 -17.691
  627   2HD   PRO  85          1HD       PRO  85   3.216 -12.333 -16.655
  628    H    VAL  86           H        VAL  86   4.099  -8.596 -13.025
  629    HA   VAL  86           HA       VAL  86   3.242  -6.021 -14.298
  630    HB   VAL  86           HB       VAL  86   4.113  -6.720 -11.470
  631   1HG1  VAL  86          1HG1      VAL  86   4.650  -4.412 -11.930
  632   2HG1  VAL  86          2HG1      VAL  86   3.156  -4.424 -10.992
  633   3HG1  VAL  86          3HG1      VAL  86   3.101  -4.157 -12.735
  634   1HG2  VAL  86          1HG2      VAL  86   1.706  -6.331 -10.951
  635   2HG2  VAL  86          2HG2      VAL  86   1.938  -7.689 -12.050
  636   3HG2  VAL  86          3HG2      VAL  86   1.388  -6.134 -12.674
  637    HA   PRO  87           HA       PRO  87   7.552  -5.440 -15.007
  638   1HB   PRO  87          2HB       PRO  87   7.439  -2.850 -15.885
  639   2HB   PRO  87          1HB       PRO  87   6.896  -4.225 -16.863
  640   1HG   PRO  87          2HG       PRO  87   5.322  -2.161 -15.520
  641   2HG   PRO  87          1HG       PRO  87   4.870  -3.243 -16.841
  642   1HD   PRO  87          2HD       PRO  87   4.222  -3.473 -14.062
  643   2HD   PRO  87          1HD       PRO  87   3.753  -4.558 -15.390
  644    H    MET  88           H        MET  88   9.050  -3.186 -14.577
  645    HA   MET  88           HA       MET  88   8.573  -2.574 -11.675
  646   1HB   MET  88          2HB       MET  88  11.228  -2.836 -13.082
  647   2HB   MET  88          1HB       MET  88  10.922  -2.849 -11.347
  648   1HG   MET  88          2HG       MET  88  10.614  -5.080 -11.381
  649   2HG   MET  88          1HG       MET  88   9.360  -4.917 -12.608
  650   1HE   MET  88          1HE       MET  88  11.532  -7.696 -13.078
  651   2HE   MET  88          2HE       MET  88  10.717  -7.378 -14.607
  652   3HE   MET  88          3HE       MET  88   9.886  -7.050 -13.089
  653    H    SER  89           H        SER  89   8.249  -1.042 -14.484
  654    HA   SER  89           HA       SER  89   9.115   1.519 -13.329
  655   1HB   SER  89          2HB       SER  89  11.177   0.672 -14.260
  656   2HB   SER  89          1HB       SER  89  10.369   0.292 -15.776
  657    HG   SER  89           HG       SER  89  10.567   2.899 -14.663
  658    H    LEU  90           H        LEU  90   6.798   0.063 -14.587
  659    HA   LEU  90           HA       LEU  90   4.877   0.696 -15.811
  660   1HB   LEU  90          2HB       LEU  90   6.304   3.145 -14.942
  661   2HB   LEU  90          1HB       LEU  90   5.134   3.383 -16.237
  662    HG   LEU  90           HG       LEU  90   4.637   2.237 -13.482
  663   1HD1  LEU  90          1HD1      LEU  90   2.738   4.165 -14.149
  664   2HD1  LEU  90          2HD1      LEU  90   4.234   4.793 -14.839
  665   3HD1  LEU  90          3HD1      LEU  90   4.147   4.415 -13.119
  666   1HD2  LEU  90          1HD2      LEU  90   2.197   2.194 -14.499
  667   2HD2  LEU  90          2HD2      LEU  90   3.283   0.832 -14.770
  668   3HD2  LEU  90          3HD2      LEU  90   3.057   2.041 -16.029
  669    HA   PRO  91           HA       PRO  91   6.644   0.538 -19.918
  670   1HB   PRO  91          2HB       PRO  91   4.300  -0.070 -21.201
  671   2HB   PRO  91          1HB       PRO  91   5.264  -1.273 -20.321
  672   1HG   PRO  91          2HG       PRO  91   2.801   0.161 -19.474
  673   2HG   PRO  91          1HG       PRO  91   3.286  -1.514 -19.186
  674   1HD   PRO  91          2HD       PRO  91   3.493   0.454 -17.307
  675   2HD   PRO  91          1HD       PRO  91   4.551  -0.975 -17.353
  676    HA   PRO  92           HA       PRO  92   5.688   4.617 -21.276
  677   1HB   PRO  92          2HB       PRO  92   6.465   4.414 -23.882
  678   2HB   PRO  92          1HB       PRO  92   7.620   4.491 -22.537
  679   1HG   PRO  92          2HG       PRO  92   6.646   2.131 -24.068
  680   2HG   PRO  92          1HG       PRO  92   8.279   2.501 -23.493
  681   1HD   PRO  92          2HD       PRO  92   6.636   0.746 -22.242
  682   2HD   PRO  92          1HD       PRO  92   7.851   1.716 -21.378
  683    H    ALA  93           H        ALA  93   3.953   1.946 -22.234
  684    HA   ALA  93           HA       ALA  93   2.252   3.475 -24.161
  685   1HB   ALA  93          1HB       ALA  93   3.289   0.846 -24.063
  686   2HB   ALA  93          2HB       ALA  93   2.131   1.482 -25.232
  687   3HB   ALA  93          3HB       ALA  93   1.558   0.688 -23.764
  688    H    LEU  94           H        LEU  94   2.438   3.239 -20.995
  689    HA   LEU  94           HA       LEU  94  -0.531   3.086 -20.599
  690   1HB   LEU  94          2HB       LEU  94   0.279   0.990 -19.887
  691   2HB   LEU  94          1HB       LEU  94   1.773   1.678 -19.267
  692    HG   LEU  94           HG       LEU  94   0.058   0.915 -17.542
  693   1HD1  LEU  94          1HD1      LEU  94   0.425   3.686 -16.813
  694   2HD1  LEU  94          2HD1      LEU  94   1.871   3.050 -17.607
  695   3HD1  LEU  94          3HD1      LEU  94   1.214   2.248 -16.179
  696   1HD2  LEU  94          1HD2      LEU  94  -1.394   3.359 -17.445
  697   2HD2  LEU  94          2HD2      LEU  94  -2.025   1.733 -17.684
  698   3HD2  LEU  94          3HD2      LEU  94  -1.557   2.710 -19.075
  699    H    VAL  95           H        VAL  95   2.341   4.846 -20.202
  700    HA   VAL  95           HA       VAL  95   1.522   6.234 -17.721
  701    HB   VAL  95           HB       VAL  95   3.818   6.792 -19.622
  702   1HG1  VAL  95          1HG1      VAL  95   2.940   8.063 -17.275
  703   2HG1  VAL  95          2HG1      VAL  95   4.506   8.263 -18.057
  704   3HG1  VAL  95          3HG1      VAL  95   4.306   7.071 -16.772
  705   1HG2  VAL  95          1HG2      VAL  95   4.579   5.256 -17.314
  706   2HG2  VAL  95          2HG2      VAL  95   4.768   4.842 -19.018
  707   3HG2  VAL  95          3HG2      VAL  95   3.287   4.409 -18.165
  708    HA   PRO  96           HA       PRO  96  -0.714   9.313 -20.012
  709   1HB   PRO  96          2HB       PRO  96  -0.894  11.157 -17.986
  710   2HB   PRO  96          1HB       PRO  96  -1.914   9.707 -18.075
  711   1HG   PRO  96          2HG       PRO  96   0.571  10.173 -16.487
  712   2HG   PRO  96          1HG       PRO  96  -0.943   9.391 -16.001
  713   1HD   PRO  96          2HD       PRO  96   1.231   7.965 -16.666
  714   2HD   PRO  96          1HD       PRO  96  -0.410   7.403 -17.050
  715    HA   PRO  97           HA       PRO  97   2.204  12.317 -21.303
  716   1HB   PRO  97          2HB       PRO  97   0.771  14.642 -21.455
  717   2HB   PRO  97          1HB       PRO  97   0.558  13.297 -22.594
  718   1HG   PRO  97          2HG       PRO  97  -1.093  14.058 -20.238
  719   2HG   PRO  97          1HG       PRO  97  -1.600  13.457 -21.824
  720   1HD   PRO  97          2HD       PRO  97  -1.491  11.896 -19.593
  721   2HD   PRO  97          1HD       PRO  97  -1.281  11.267 -21.242
  722    H    SER  98           H        SER  98   0.675  12.790 -18.244
  723    HA   SER  98           HA       SER  98   1.981  15.224 -17.433
  724   1HB   SER  98          2HB       SER  98   0.669  12.874 -16.087
  725   2HB   SER  98          1HB       SER  98   1.477  14.099 -15.114
  726    HG   SER  98           HG       SER  98  -0.560  14.837 -15.337
  727    H    LYS  99           H        LYS  99   3.051  11.927 -17.688
  728    HA   LYS  99           HA       LYS  99   5.454  12.454 -16.020
  729   1HB   LYS  99          2HB       LYS  99   3.803  10.225 -16.748
  730   2HB   LYS  99          1HB       LYS  99   5.448   9.895 -17.292
  731   1HG   LYS  99          2HG       LYS  99   5.599  11.073 -14.691
  732   2HG   LYS  99          1HG       LYS  99   4.418   9.763 -14.632
  733   1HD   LYS  99          2HD       LYS  99   6.118   8.301 -15.802
  734   2HD   LYS  99          1HD       LYS  99   7.293   9.597 -15.567
  735   1HE   LYS  99          2HE       LYS  99   6.618   9.483 -13.060
  736   2HE   LYS  99          1HE       LYS  99   5.927   7.900 -13.475
  737   1HZ   LYS  99          1HZ       LYS  99   8.121   7.380 -13.008
  738   2HZ   LYS  99          2HZ       LYS  99   8.726   8.814 -13.691
  739   3HZ   LYS  99          3HZ       LYS  99   8.156   7.566 -14.693
  740    H    ARG 100           H        ARG 100   4.648  13.375 -18.974
  741    HA   ARG 100           HA       ARG 100   6.672  12.251 -20.702
  742   1HB   ARG 100          2HB       ARG 100   4.960  14.742 -20.691
  743   2HB   ARG 100          1HB       ARG 100   6.068  14.383 -22.016
  744   1HG   ARG 100          2HG       ARG 100   4.036  12.371 -21.049
  745   2HG   ARG 100          1HG       ARG 100   3.649  13.563 -22.291
  746   1HD   ARG 100          2HD       ARG 100   4.733  12.349 -23.868
  747   2HD   ARG 100          1HD       ARG 100   6.189  12.250 -22.857
  748    HE   ARG 100           HE       ARG 100   4.837  10.438 -21.566
  749   1HH1  ARG 100          1HH2      ARG 100   6.186   9.603 -24.186
  750   2HH1  ARG 100          2HH2      ARG 100   4.908   8.709 -24.941
  751   1HH2  ARG 100          2HH1      ARG 100   2.443   9.953 -22.845
  752   2HH2  ARG 100          1HH1      ARG 100   2.789   8.908 -24.182
  753    H    SER 107           1H       SER 107   7.868   4.969   0.170
  754    HA   SER 107           HA       SER 107   6.553   6.564  -1.959
  755   1HB   SER 107          2HB       SER 107   8.610   4.977  -2.504
  756   2HB   SER 107          1HB       SER 107   7.411   3.706  -2.277
  757    HG   SER 107           HG       SER 107   6.362   4.371  -4.014
  758    H    THR 108           H        THR 108   5.848   5.653   0.837
  759    HA   THR 108           HA       THR 108   4.117   4.483   1.949
  760    HB   THR 108           HB       THR 108   2.078   4.574   0.101
  761    HG1  THR 108           HG1      THR 108   2.935   5.536  -1.560
  762   1HG2  THR 108          1HG2      THR 108   1.408   5.928   1.761
  763   2HG2  THR 108          2HG2      THR 108   2.416   7.207   1.084
  764   3HG2  THR 108          3HG2      THR 108   3.073   6.123   2.310
  765    H    ASN 109           H        ASN 109   2.888   3.456  -1.177
  766    HA   ASN 109           HA       ASN 109   2.430   1.265  -1.953
  767   1HB   ASN 109          2HB       ASN 109   4.962   1.730  -2.204
  768   2HB   ASN 109          1HB       ASN 109   5.165   0.669  -0.809
  769   1HD2  ASN 109          1HD2      ASN 109   2.903   0.439  -3.609
  770   2HD2  ASN 109          2HD2      ASN 109   3.420  -1.106  -4.086
  771    HA   PRO 110           HA       PRO 110   1.242  -0.070   2.310
  772   1HB   PRO 110          2HB       PRO 110  -1.339  -0.638   1.597
  773   2HB   PRO 110          1HB       PRO 110  -0.796   0.991   2.045
  774   1HG   PRO 110          2HG       PRO 110  -1.166  -0.192  -0.672
  775   2HG   PRO 110          1HG       PRO 110  -1.656   1.395  -0.062
  776   1HD   PRO 110          2HD       PRO 110   0.545   1.094  -1.558
  777   2HD   PRO 110          1HD       PRO 110   0.473   2.272  -0.230
  778    H    PHE 111           H        PHE 111   2.009  -1.689  -0.468
  779    HA   PHE 111           HA       PHE 111   0.805  -4.274   0.406
  780   1HB   PHE 111          2HB       PHE 111   2.383  -3.807  -2.132
  781   2HB   PHE 111          1HB       PHE 111   1.105  -4.988  -1.836
  782    HD1  PHE 111           HD1      PHE 111   1.786  -1.353  -2.260
  783    HD2  PHE 111           HD2      PHE 111  -1.212  -4.439  -2.234
  784    HE1  PHE 111           HE1      PHE 111   0.108   0.255  -3.096
  785    HE2  PHE 111           HE2      PHE 111  -2.879  -2.815  -3.063
  786    HZ   PHE 111           HZ       PHE 111  -2.218  -0.465  -3.491
  787    H    ARG 112           HN       ARG 112   3.915  -3.301  -1.054
  788    HA   ARG 112           HA       ARG 112   5.473  -5.403  -0.056
  789   1HB   ARG 112          2HB       ARG 112   5.837  -2.709  -1.126
  790   2HB   ARG 112          1HB       ARG 112   7.132  -3.169  -0.022
  791   1HG   ARG 112          2HG       ARG 112   7.176  -5.403  -1.341
  792   2HG   ARG 112          1HG       ARG 112   6.267  -4.526  -2.573
  793   1HD   ARG 112          2HD       ARG 112   8.162  -2.713  -2.287
  794   2HD   ARG 112          1HD       ARG 112   9.089  -4.080  -1.634
  795    HE   ARG 112           HE       ARG 112   7.841  -4.052  -4.356
  796   1HH1  ARG 112          1HH2      ARG 112   9.247  -6.103  -2.107
  797   2HH1  ARG 112          2HH2      ARG 112  10.467  -6.722  -3.170
  798   1HH2  ARG 112          1HH1      ARG 112   9.778  -4.464  -5.710
  799   2HH2  ARG 112          2HH1      ARG 112  10.767  -5.794  -5.208
  Start of MODEL    6
    1    HA   PRO   6           HA       PRO   6  -2.039   6.408 -27.157
    2   1HB   PRO   6          2HB       PRO   6  -1.957   3.676 -27.084
    3   2HB   PRO   6          1HB       PRO   6  -2.129   4.593 -28.594
    4   1HG   PRO   6          2HG       PRO   6   0.254   3.239 -27.466
    5   2HG   PRO   6          1HG       PRO   6  -0.230   3.461 -29.153
    6   1HD   PRO   6          2HD       PRO   6   1.706   4.942 -27.839
    7   2HD   PRO   6          1HD       PRO   6   0.869   5.438 -29.324
    8    H    TRP   7           H        TRP   7  -3.042   5.537 -25.152
    9    HA   TRP   7           HA       TRP   7  -1.090   5.432 -22.915
   10   1HB   TRP   7          2HB       TRP   7  -2.996   7.002 -22.854
   11   2HB   TRP   7          1HB       TRP   7  -4.120   5.650 -23.010
   12    HD1  TRP   7           HD1      TRP   7  -1.118   4.945 -20.923
   13    HE1  TRP   7           HE1      TRP   7  -1.759   4.865 -18.429
   14    HE3  TRP   7           HE3      TRP   7  -5.853   6.818 -21.191
   15    HZ2  TRP   7           HZ2      TRP   7  -3.998   5.524 -16.765
   16    HZ3  TRP   7           HZ3      TRP   7  -7.220   7.084 -19.138
   17    HH2  TRP   7           HH2      TRP   7  -6.299   6.440 -16.928
   18    H    ALA   8           H        ALA   8  -0.524   3.474 -22.104
   19    HA   ALA   8           HA       ALA   8  -1.217   0.954 -22.940
   20   1HB   ALA   8          1HB       ALA   8   0.118   0.423 -21.191
   21   2HB   ALA   8          2HB       ALA   8  -1.020   1.112 -20.031
   22   3HB   ALA   8          3HB       ALA   8   0.157   2.150 -20.837
   23    H    VAL   9           H        VAL   9  -3.075   3.022 -20.783
   24    HA   VAL   9           HA       VAL   9  -5.137   0.888 -20.449
   25    HB   VAL   9           HB       VAL   9  -4.582   3.541 -19.087
   26   1HG1  VAL   9          1HG1      VAL   9  -6.989   3.135 -19.111
   27   2HG1  VAL   9          2HG1      VAL   9  -6.363   2.839 -17.489
   28   3HG1  VAL   9          3HG1      VAL   9  -6.742   1.482 -18.550
   29   1HG2  VAL   9          1HG2      VAL   9  -4.222   0.638 -18.308
   30   2HG2  VAL   9          2HG2      VAL   9  -4.205   1.943 -17.122
   31   3HG2  VAL   9          3HG2      VAL   9  -2.982   1.893 -18.395
   32    H    LYS  10           H        LYS  10  -7.151   1.138 -21.413
   33    HA   LYS  10           HA       LYS  10  -7.469   3.352 -23.338
   34   1HB   LYS  10          2HB       LYS  10  -8.446   0.636 -22.857
   35   2HB   LYS  10          1HB       LYS  10  -9.737   1.733 -23.351
   36   1HG   LYS  10          2HG       LYS  10  -7.708   2.439 -25.068
   37   2HG   LYS  10          1HG       LYS  10  -7.456   0.701 -24.903
   38   1HD   LYS  10          2HD       LYS  10 -10.245   1.706 -25.331
   39   2HD   LYS  10          1HD       LYS  10  -9.148   1.650 -26.712
   40   1HE   LYS  10          2HE       LYS  10  -8.658  -0.775 -26.069
   41   2HE   LYS  10          1HE       LYS  10 -10.039  -0.659 -24.960
   42   1HZ   LYS  10          1HZ       LYS  10 -10.611  -1.421 -27.262
   43   2HZ   LYS  10          2HZ       LYS  10 -10.174   0.123 -27.820
   44   3HZ   LYS  10          3HZ       LYS  10 -11.468  -0.056 -26.733
   45    HA   PRO  11           HA       PRO  11 -10.421   5.688 -21.080
   46   1HB   PRO  11          2HB       PRO  11 -12.537   5.966 -22.796
   47   2HB   PRO  11          1HB       PRO  11 -10.996   6.818 -23.017
   48   1HG   PRO  11          2HG       PRO  11 -12.007   4.357 -24.354
   49   2HG   PRO  11          1HG       PRO  11 -11.099   5.717 -25.034
   50   1HD   PRO  11          2HD       PRO  11  -9.947   3.340 -24.405
   51   2HD   PRO  11          1HD       PRO  11  -9.075   4.889 -24.334
   52    H    GLU  12           H        GLU  12 -11.726   2.802 -22.648
   53    HA   GLU  12           HA       GLU  12 -14.058   2.584 -20.906
   54   1HB   GLU  12          2HB       GLU  12 -14.263   0.401 -22.062
   55   2HB   GLU  12          1HB       GLU  12 -13.944   1.700 -23.213
   56   1HG   GLU  12          2HG       GLU  12 -11.919   0.849 -23.787
   57   2HG   GLU  12          1HG       GLU  12 -11.513   0.453 -22.117
   58    H    ASP  13           H        ASP  13 -10.721   1.616 -20.776
   59    HA   ASP  13           HA       ASP  13 -11.112  -0.447 -18.725
   60   1HB   ASP  13          2HB       ASP  13  -8.960   0.731 -20.378
   61   2HB   ASP  13          1HB       ASP  13  -8.443   0.181 -18.782
   62    H    LYS  14           H        LYS  14 -10.088   2.934 -18.922
   63    HA   LYS  14           HA       LYS  14  -9.491   3.113 -16.061
   64   1HB   LYS  14          2HB       LYS  14  -8.283   4.494 -17.648
   65   2HB   LYS  14          1HB       LYS  14  -9.792   5.115 -18.318
   66   1HG   LYS  14          2HG       LYS  14  -9.780   5.551 -15.477
   67   2HG   LYS  14          1HG       LYS  14  -8.286   6.188 -16.165
   68   1HD   LYS  14          2HD       LYS  14  -9.753   7.296 -17.948
   69   2HD   LYS  14          1HD       LYS  14 -11.127   6.897 -16.915
   70   1HE   LYS  14          2HE       LYS  14  -9.005   8.100 -15.340
   71   2HE   LYS  14          1HE       LYS  14  -9.478   9.165 -16.679
   72   1HZ   LYS  14          1HZ       LYS  14 -11.736   9.032 -16.065
   73   2HZ   LYS  14          2HZ       LYS  14 -10.897   9.322 -14.617
   74   3HZ   LYS  14          3HZ       LYS  14 -11.457   7.759 -14.978
   75    H    ALA  15           H        ALA  15 -12.202   3.541 -18.184
   76    HA   ALA  15           HA       ALA  15 -13.852   5.219 -16.529
   77   1HB   ALA  15          1HB       ALA  15 -15.656   4.146 -17.986
   78   2HB   ALA  15          2HB       ALA  15 -14.381   3.146 -18.679
   79   3HB   ALA  15          3HB       ALA  15 -14.329   4.898 -18.872
   80    H    LYS  16           H        LYS  16 -13.413   1.695 -16.795
   81    HA   LYS  16           HA       LYS  16 -15.438   1.085 -14.792
   82   1HB   LYS  16          2HB       LYS  16 -15.017  -1.059 -15.483
   83   2HB   LYS  16          1HB       LYS  16 -14.153  -0.261 -16.794
   84   1HG   LYS  16          2HG       LYS  16 -12.048  -0.542 -15.700
   85   2HG   LYS  16          1HG       LYS  16 -12.822  -1.025 -14.190
   86   1HD   LYS  16          2HD       LYS  16 -12.190  -3.090 -15.090
   87   2HD   LYS  16          1HD       LYS  16 -13.863  -2.942 -15.632
   88   1HE   LYS  16          2HE       LYS  16 -13.165  -2.213 -17.832
   89   2HE   LYS  16          1HE       LYS  16 -11.474  -2.084 -17.305
   90   1HZ   LYS  16          1HZ       LYS  16 -12.474  -4.290 -18.404
   91   2HZ   LYS  16          2HZ       LYS  16 -12.801  -4.616 -16.769
   92   3HZ   LYS  16          3HZ       LYS  16 -11.207  -4.311 -17.277
   93    H    TYR  17           H        TYR  17 -12.021   1.820 -14.847
   94    HA   TYR  17           HA       TYR  17 -11.389   0.932 -12.160
   95   1HB   TYR  17          2HB       TYR  17 -10.160   3.069 -13.940
   96   2HB   TYR  17          1HB       TYR  17  -9.379   2.316 -12.555
   97    HD1  TYR  17           HD1      TYR  17  -7.956   2.201 -15.046
   98    HD2  TYR  17           HD2      TYR  17 -11.110  -0.350 -13.647
   99    HE1  TYR  17           HE1      TYR  17  -7.100   0.375 -16.488
  100    HE2  TYR  17           HE2      TYR  17 -10.276  -2.177 -15.103
  101    HH   TYR  17           HH       TYR  17  -8.838  -2.226 -17.358
  102    H    ASP  18           H        ASP  18 -12.521   3.928 -13.648
  103    HA   ASP  18           HA       ASP  18 -12.289   5.649 -11.367
  104   1HB   ASP  18          2HB       ASP  18 -12.779   6.049 -13.917
  105   2HB   ASP  18          1HB       ASP  18 -14.465   5.841 -13.444
  106    H    ALA  19           H        ALA  19 -14.540   3.110 -12.137
  107    HA   ALA  19           HA       ALA  19 -16.659   4.061 -10.341
  108   1HB   ALA  19          1HB       ALA  19 -17.778   2.534 -11.585
  109   2HB   ALA  19          2HB       ALA  19 -16.760   1.250 -10.936
  110   3HB   ALA  19          3HB       ALA  19 -16.267   2.112 -12.392
  111    H    ILE  20           H        ILE  20 -13.954   1.792 -10.295
  112    HA   ILE  20           HA       ILE  20 -14.551   0.758  -7.642
  113    HB   ILE  20           HB       ILE  20 -12.167   0.669  -9.519
  114   1HG1  ILE  20          2HG1      ILE  20 -13.984  -1.626  -8.823
  115   2HG1  ILE  20          1HG1      ILE  20 -14.488  -0.449 -10.036
  116   1HG2  ILE  20          1HG2      ILE  20 -11.649   0.349  -7.053
  117   2HG2  ILE  20          2HG2      ILE  20 -11.207  -0.994  -8.108
  118   3HG2  ILE  20          3HG2      ILE  20 -12.664  -1.091  -7.118
  119   1HD1  ILE  20          1HD1      ILE  20 -12.122  -2.312 -10.093
  120   2HD1  ILE  20          2HD1      ILE  20 -12.130  -0.841 -11.068
  121   3HD1  ILE  20          3HD1      ILE  20 -13.368  -2.073 -11.317
  122    H    PHE  21           H        PHE  21 -12.607   3.294  -9.107
  123    HA   PHE  21           HA       PHE  21 -11.068   3.940  -6.748
  124   1HB   PHE  21          2HB       PHE  21 -10.034   4.827  -8.591
  125   2HB   PHE  21          1HB       PHE  21 -11.544   4.938  -9.490
  126    HD1  PHE  21           HD1      PHE  21  -9.062   6.751  -7.623
  127    HD2  PHE  21           HD2      PHE  21 -13.177   6.831  -8.857
  128    HE1  PHE  21           HE1      PHE  21  -9.152   9.189  -7.169
  129    HE2  PHE  21           HE2      PHE  21 -13.265   9.266  -8.405
  130    HZ   PHE  21           HZ       PHE  21 -11.255  10.444  -7.561
  131    H    ASP  22           H        ASP  22 -14.173   4.893  -8.084
  132    HA   ASP  22           HA       ASP  22 -14.600   7.004  -6.071
  133   1HB   ASP  22          2HB       ASP  22 -15.474   7.489  -8.201
  134   2HB   ASP  22          1HB       ASP  22 -16.059   5.843  -8.437
  135    H    SER  23           H        SER  23 -14.858   3.645  -6.147
  136    HA   SER  23           HA       SER  23 -17.291   3.428  -4.487
  137   1HB   SER  23          2HB       SER  23 -16.802   1.691  -6.103
  138   2HB   SER  23          1HB       SER  23 -15.164   1.503  -5.482
  139    HG   SER  23           HG       SER  23 -17.617   0.683  -4.404
  140    H    LEU  24           H        LEU  24 -14.043   4.193  -4.027
  141    HA   LEU  24           HA       LEU  24 -13.895   3.093  -1.258
  142   1HB   LEU  24          2HB       LEU  24 -11.782   4.692  -2.686
  143   2HB   LEU  24          1HB       LEU  24 -11.576   3.402  -1.504
  144    HG   LEU  24           HG       LEU  24 -12.697   2.977  -4.280
  145   1HD1  LEU  24          1HD1      LEU  24 -10.591   2.973  -5.080
  146   2HD1  LEU  24          2HD1      LEU  24 -10.104   1.805  -3.853
  147   3HD1  LEU  24          3HD1      LEU  24 -10.020   3.530  -3.507
  148   1HD2  LEU  24          1HD2      LEU  24 -11.425   0.929  -2.479
  149   2HD2  LEU  24          2HD2      LEU  24 -12.585   0.682  -3.784
  150   3HD2  LEU  24          3HD2      LEU  24 -13.117   1.371  -2.251
  151    H    SER  25           H        SER  25 -14.521   5.933  -3.055
  152    HA   SER  25           HA       SER  25 -15.397   8.008  -2.216
  153   1HB   SER  25          2HB       SER  25 -15.572   6.667  -0.004
  154   2HB   SER  25          1HB       SER  25 -14.037   7.423   0.403
  155    HG   SER  25           HG       SER  25 -16.472   8.712  -0.280
  156    HA   PRO  26           HA       PRO  26 -11.176   9.349  -3.245
  157   1HB   PRO  26          2HB       PRO  26 -12.002  11.025  -5.236
  158   2HB   PRO  26          1HB       PRO  26 -11.743   9.288  -5.483
  159   1HG   PRO  26          2HG       PRO  26 -14.280  10.784  -5.088
  160   2HG   PRO  26          1HG       PRO  26 -13.934   9.404  -6.143
  161   1HD   PRO  26          2HD       PRO  26 -15.230   9.194  -3.734
  162   2HD   PRO  26          1HD       PRO  26 -14.296   7.878  -4.473
  163    H    VAL  27           H        VAL  27 -10.196  11.354  -2.793
  164    HA   VAL  27           HA       VAL  27 -11.976  13.430  -1.557
  165    HB   VAL  27           HB       VAL  27  -9.238  12.354  -0.819
  166   1HG1  VAL  27          1HG1      VAL  27  -9.554  14.053   1.128
  167   2HG1  VAL  27          2HG1      VAL  27 -10.675  14.864   0.034
  168   3HG1  VAL  27          3HG1      VAL  27  -8.984  14.662  -0.426
  169   1HG2  VAL  27          1HG2      VAL  27 -11.678  12.629   0.936
  170   2HG2  VAL  27          2HG2      VAL  27 -10.287  11.564   1.145
  171   3HG2  VAL  27          3HG2      VAL  27 -11.473  11.228  -0.118
  172    H    ASN  28           H        ASN  28 -12.032  14.967  -3.206
  173    HA   ASN  28           HA       ASN  28 -11.202  16.688  -4.602
  174   1HB   ASN  28          2HB       ASN  28  -9.772  16.951  -2.492
  175   2HB   ASN  28          1HB       ASN  28  -8.526  16.037  -3.339
  176   1HD2  ASN  28          1HD2      ASN  28  -7.926  16.972  -5.585
  177   2HD2  ASN  28          2HD2      ASN  28  -7.906  18.663  -5.734
  178    H    GLY  29           H        GLY  29 -10.906  13.613  -5.102
  179   1HA   GLY  29          2HA       GLY  29 -10.470  12.611  -7.247
  180   2HA   GLY  29          1HA       GLY  29  -9.361  13.934  -7.612
  181    H    PHE  30           H        PHE  30  -9.348  12.100  -4.592
  182    HA   PHE  30           HA       PHE  30  -6.839  10.733  -5.465
  183   1HB   PHE  30          2HB       PHE  30  -7.283  12.516  -3.060
  184   2HB   PHE  30          1HB       PHE  30  -5.879  11.451  -3.230
  185    HD1  PHE  30           HD1      PHE  30  -7.241  14.652  -4.005
  186    HD2  PHE  30           HD2      PHE  30  -4.556  11.631  -5.436
  187    HE1  PHE  30           HE1      PHE  30  -6.150  16.325  -5.462
  188    HE2  PHE  30           HE2      PHE  30  -3.443  13.311  -6.894
  189    HZ   PHE  30           HZ       PHE  30  -4.243  15.662  -6.909
  190    H    LEU  31           H        LEU  31  -6.616   8.720  -4.666
  191    HA   LEU  31           HA       LEU  31  -8.577   7.793  -2.590
  192   1HB   LEU  31          2HB       LEU  31  -7.223   6.512  -4.965
  193   2HB   LEU  31          1HB       LEU  31  -7.746   5.501  -3.620
  194    HG   LEU  31           HG       LEU  31  -9.445   7.215  -5.433
  195   1HD1  LEU  31          1HD1      LEU  31  -9.014   4.336  -4.812
  196   2HD1  LEU  31          2HD1      LEU  31  -9.403   5.108  -6.354
  197   3HD1  LEU  31          3HD1      LEU  31 -10.672   4.835  -5.158
  198   1HD2  LEU  31          1HD2      LEU  31 -10.302   7.734  -3.258
  199   2HD2  LEU  31          2HD2      LEU  31 -10.071   6.080  -2.696
  200   3HD2  LEU  31          3HD2      LEU  31 -11.332   6.443  -3.873
  201    H    SER  32           H        SER  32  -7.582   6.310  -0.957
  202    HA   SER  32           HA       SER  32  -4.721   7.036  -0.557
  203   1HB   SER  32          2HB       SER  32  -5.183   6.870   1.736
  204   2HB   SER  32          1HB       SER  32  -6.719   7.448   1.097
  205    HG   SER  32           HG       SER  32  -7.025   5.655   2.459
  206    H    GLY  33           H        GLY  33  -3.157   5.449  -0.283
  207   1HA   GLY  33          2HA       GLY  33  -3.318   3.003  -1.585
  208   2HA   GLY  33          1HA       GLY  33  -2.260   3.255  -0.197
  209    H    ASP  34           H        ASP  34  -4.657   3.874   1.492
  210    HA   ASP  34           HA       ASP  34  -5.153   1.215   2.507
  211   1HB   ASP  34          2HB       ASP  34  -6.496   3.890   3.016
  212   2HB   ASP  34          1HB       ASP  34  -6.637   2.468   4.051
  213    H    LYS  35           H        LYS  35  -6.802   3.305   0.204
  214    HA   LYS  35           HA       LYS  35  -9.287   1.706   0.284
  215   1HB   LYS  35          2HB       LYS  35  -8.232   4.118  -1.213
  216   2HB   LYS  35          1HB       LYS  35  -9.763   3.365  -1.651
  217   1HG   LYS  35          2HG       LYS  35 -10.648   3.746   0.586
  218   2HG   LYS  35          1HG       LYS  35  -9.087   4.365   1.130
  219   1HD   LYS  35          2HD       LYS  35  -9.439   6.017  -0.937
  220   2HD   LYS  35          1HD       LYS  35 -11.136   5.658  -0.621
  221   1HE   LYS  35          2HE       LYS  35  -9.136   6.747   1.396
  222   2HE   LYS  35          1HE       LYS  35 -10.500   7.628   0.682
  223   1HZ   LYS  35          1HZ       LYS  35 -10.510   5.741   2.822
  224   2HZ   LYS  35          2HZ       LYS  35 -11.568   5.265   1.582
  225   3HZ   LYS  35          3HZ       LYS  35 -11.740   6.789   2.312
  226    H    VAL  36           H        VAL  36  -6.426   2.285  -1.677
  227    HA   VAL  36           HA       VAL  36  -7.246   0.548  -3.881
  228    HB   VAL  36           HB       VAL  36  -4.611   1.734  -2.969
  229   1HG1  VAL  36          1HG1      VAL  36  -5.209  -0.241  -4.975
  230   2HG1  VAL  36          2HG1      VAL  36  -3.647   0.426  -4.511
  231   3HG1  VAL  36          3HG1      VAL  36  -4.615   1.227  -5.744
  232   1HG2  VAL  36          1HG2      VAL  36  -6.589   2.576  -5.110
  233   2HG2  VAL  36          2HG2      VAL  36  -5.054   3.374  -4.764
  234   3HG2  VAL  36          3HG2      VAL  36  -6.346   3.386  -3.560
  235    H    LYS  37           H        LYS  37  -5.070   0.271  -1.073
  236    HA   LYS  37           HA       LYS  37  -3.770  -2.098  -1.457
  237   1HB   LYS  37          2HB       LYS  37  -3.482  -0.868   0.557
  238   2HB   LYS  37          1HB       LYS  37  -5.191  -0.984   0.965
  239   1HG   LYS  37          2HG       LYS  37  -4.909  -2.990   1.968
  240   2HG   LYS  37          1HG       LYS  37  -3.970  -3.612   0.610
  241   1HD   LYS  37          2HD       LYS  37  -2.031  -2.192   1.485
  242   2HD   LYS  37          1HD       LYS  37  -2.980  -1.977   2.955
  243   1HE   LYS  37          2HE       LYS  37  -2.502  -4.750   1.870
  244   2HE   LYS  37          1HE       LYS  37  -1.272  -3.953   2.867
  245   1HZ   LYS  37          1HZ       LYS  37  -4.140  -4.197   3.609
  246   2HZ   LYS  37          2HZ       LYS  37  -2.895  -3.552   4.569
  247   3HZ   LYS  37          3HZ       LYS  37  -2.913  -5.210   4.196
  248    HA   PRO  38           HA       PRO  38  -7.570  -4.737  -0.194
  249   1HB   PRO  38          2HB       PRO  38 -10.018  -3.511  -0.223
  250   2HB   PRO  38          1HB       PRO  38  -9.000  -3.600   1.228
  251   1HG   PRO  38          2HG       PRO  38  -9.383  -1.349  -0.682
  252   2HG   PRO  38          1HG       PRO  38  -9.233  -1.321   1.083
  253   1HD   PRO  38          2HD       PRO  38  -7.193  -0.673  -0.580
  254   2HD   PRO  38          1HD       PRO  38  -6.946  -1.391   1.025
  255    H    VAL  39           H        VAL  39  -8.122  -2.109  -2.492
  256    HA   VAL  39           HA       VAL  39  -9.798  -3.477  -4.357
  257    HB   VAL  39           HB       VAL  39  -7.931  -1.140  -4.273
  258   1HG1  VAL  39          1HG1      VAL  39  -7.447  -2.260  -6.460
  259   2HG1  VAL  39          2HG1      VAL  39  -8.178  -0.665  -6.637
  260   3HG1  VAL  39          3HG1      VAL  39  -9.157  -2.115  -6.866
  261   1HG2  VAL  39          1HG2      VAL  39 -10.656  -1.554  -3.949
  262   2HG2  VAL  39          2HG2      VAL  39 -10.539  -0.872  -5.571
  263   3HG2  VAL  39          3HG2      VAL  39  -9.874   0.006  -4.195
  264    H    LEU  40           H        LEU  40  -6.320  -3.431  -3.822
  265    HA   LEU  40           HA       LEU  40  -5.764  -5.044  -6.234
  266   1HB   LEU  40          2HB       LEU  40  -3.990  -4.066  -3.974
  267   2HB   LEU  40          1HB       LEU  40  -3.464  -4.602  -5.574
  268    HG   LEU  40           HG       LEU  40  -5.414  -2.323  -5.203
  269   1HD1  LEU  40          1HD1      LEU  40  -3.581  -1.395  -4.174
  270   2HD1  LEU  40          2HD1      LEU  40  -3.242  -0.997  -5.859
  271   3HD1  LEU  40          3HD1      LEU  40  -2.429  -2.363  -5.092
  272   1HD2  LEU  40          1HD2      LEU  40  -4.156  -1.864  -7.504
  273   2HD2  LEU  40          2HD2      LEU  40  -5.547  -2.949  -7.405
  274   3HD2  LEU  40          3HD2      LEU  40  -3.909  -3.608  -7.421
  275    H    LEU  41           H        LEU  41  -6.064  -5.421  -2.752
  276    HA   LEU  41           HA       LEU  41  -4.837  -8.025  -2.555
  277   1HB   LEU  41          2HB       LEU  41  -6.758  -6.351  -0.939
  278   2HB   LEU  41          1HB       LEU  41  -6.341  -7.986  -0.432
  279    HG   LEU  41           HG       LEU  41  -4.250  -5.903  -1.072
  280   1HD1  LEU  41          1HD1      LEU  41  -5.651  -5.080   0.774
  281   2HD1  LEU  41          2HD1      LEU  41  -4.076  -5.586   1.384
  282   3HD1  LEU  41          3HD1      LEU  41  -5.481  -6.626   1.606
  283   1HD2  LEU  41          1HD2      LEU  41  -4.147  -8.666  -0.662
  284   2HD2  LEU  41          2HD2      LEU  41  -3.666  -7.984   0.892
  285   3HD2  LEU  41          3HD2      LEU  41  -2.782  -7.553  -0.571
  286    H    ASN  42           H        ASN  42  -7.703  -6.889  -3.984
  287    HA   ASN  42           HA       ASN  42  -9.277  -9.323  -3.473
  288   1HB   ASN  42          2HB       ASN  42  -9.890  -6.717  -3.779
  289   2HB   ASN  42          1HB       ASN  42 -10.095  -7.253  -5.447
  290   1HD2  ASN  42          1HD2      ASN  42 -12.455  -6.537  -4.505
  291   2HD2  ASN  42          2HD2      ASN  42 -13.389  -7.843  -3.953
  292    H    SER  43           H        SER  43  -6.922  -8.353  -5.726
  293    HA   SER  43           HA       SER  43  -8.036  -9.729  -8.066
  294   1HB   SER  43          2HB       SER  43  -5.933  -9.032  -9.071
  295   2HB   SER  43          1HB       SER  43  -6.541  -7.708  -8.082
  296    HG   SER  43           HG       SER  43  -4.696  -7.841  -7.099
  297    H    LYS  44           H        LYS  44  -7.205 -11.101  -5.315
  298    HA   LYS  44           HA       LYS  44  -6.373 -13.228  -4.715
  299   1HB   LYS  44          2HB       LYS  44  -7.581 -13.344  -7.248
  300   2HB   LYS  44          1HB       LYS  44  -6.057 -14.214  -7.434
  301   1HG   LYS  44          2HG       LYS  44  -7.196 -15.970  -6.544
  302   2HG   LYS  44          1HG       LYS  44  -6.924 -15.149  -5.005
  303   1HD   LYS  44          2HD       LYS  44  -9.269 -14.254  -6.611
  304   2HD   LYS  44          1HD       LYS  44  -9.384 -15.838  -5.842
  305   1HE   LYS  44          2HE       LYS  44  -9.870 -14.804  -3.887
  306   2HE   LYS  44          1HE       LYS  44  -8.260 -14.056  -3.917
  307   1HZ   LYS  44          1HZ       LYS  44 -10.550 -13.035  -5.501
  308   2HZ   LYS  44          2HZ       LYS  44  -9.059 -12.271  -5.221
  309   3HZ   LYS  44          3HZ       LYS  44 -10.176 -12.453  -3.954
  310    H    LEU  45           H        LEU  45  -4.586 -10.918  -5.962
  311    HA   LEU  45           HA       LEU  45  -2.171 -12.518  -6.670
  312   1HB   LEU  45          2HB       LEU  45  -3.119  -9.681  -6.914
  313   2HB   LEU  45          1HB       LEU  45  -1.390 -10.019  -6.985
  314    HG   LEU  45           HG       LEU  45  -3.432 -11.455  -8.685
  315   1HD1  LEU  45          1HD1      LEU  45  -3.571  -9.276  -9.533
  316   2HD1  LEU  45          2HD1      LEU  45  -2.255  -9.948 -10.488
  317   3HD1  LEU  45          3HD1      LEU  45  -1.900  -8.901  -9.117
  318   1HD2  LEU  45          1HD2      LEU  45  -1.639 -12.536  -9.637
  319   2HD2  LEU  45          2HD2      LEU  45  -0.936 -12.240  -8.046
  320   3HD2  LEU  45          3HD2      LEU  45  -0.553 -11.168  -9.395
  321    HA   PRO  46           HA       PRO  46  -0.403 -11.812  -2.726
  322   1HB   PRO  46          2HB       PRO  46   2.254 -11.771  -3.380
  323   2HB   PRO  46          1HB       PRO  46   1.289 -13.258  -3.357
  324   1HG   PRO  46          2HG       PRO  46   2.187 -11.623  -5.658
  325   2HG   PRO  46          1HG       PRO  46   1.969 -13.373  -5.528
  326   1HD   PRO  46          2HD       PRO  46   0.194 -11.655  -6.750
  327   2HD   PRO  46          1HD       PRO  46  -0.219 -13.267  -6.134
  328    H    VAL  47           H        VAL  47   1.015 -10.151  -1.580
  329    HA   VAL  47           HA       VAL  47   0.366  -7.481  -2.405
  330    HB   VAL  47           HB       VAL  47   2.082  -8.822  -0.318
  331   1HG1  VAL  47          1HG1      VAL  47   3.292  -6.939  -0.066
  332   2HG1  VAL  47          2HG1      VAL  47   1.799  -6.146   0.439
  333   3HG1  VAL  47          3HG1      VAL  47   2.307  -6.077  -1.242
  334   1HG2  VAL  47          1HG2      VAL  47  -0.076  -8.941   0.448
  335   2HG2  VAL  47          2HG2      VAL  47  -0.603  -7.557  -0.511
  336   3HG2  VAL  47          3HG2      VAL  47   0.279  -7.301   0.995
  337    H    ASP  48           H        ASP  48   2.739  -9.638  -3.482
  338    HA   ASP  48           HA       ASP  48   4.884  -7.745  -3.893
  339   1HB   ASP  48          2HB       ASP  48   4.399 -10.528  -4.082
  340   2HB   ASP  48          1HB       ASP  48   4.939  -9.995  -5.672
  341    H    ILE  49           H        ILE  49   2.067  -8.848  -5.671
  342    HA   ILE  49           HA       ILE  49   2.891  -7.519  -8.158
  343    HB   ILE  49           HB       ILE  49   0.113  -8.466  -7.462
  344   1HG1  ILE  49          2HG1      ILE  49   1.535 -10.274  -6.711
  345   2HG1  ILE  49          1HG1      ILE  49   0.852 -10.734  -8.268
  346   1HG2  ILE  49          1HG2      ILE  49   1.257  -7.399  -9.726
  347   2HG2  ILE  49          2HG2      ILE  49  -0.203  -8.388  -9.705
  348   3HG2  ILE  49          3HG2      ILE  49   1.361  -9.131 -10.038
  349   1HD1  ILE  49          1HD1      ILE  49   3.337 -11.160  -8.008
  350   2HD1  ILE  49          2HD1      ILE  49   3.550  -9.407  -7.997
  351   3HD1  ILE  49          3HD1      ILE  49   2.874 -10.206  -9.418
  352    H    LEU  50           H        LEU  50   0.638  -7.040  -5.489
  353    HA   LEU  50           HA       LEU  50  -0.544  -4.593  -6.487
  354   1HB   LEU  50          2HB       LEU  50  -0.234  -5.490  -3.618
  355   2HB   LEU  50          1HB       LEU  50  -1.546  -4.545  -4.320
  356    HG   LEU  50           HG       LEU  50  -0.947  -7.481  -4.717
  357   1HD1  LEU  50          1HD1      LEU  50  -3.378  -7.622  -4.051
  358   2HD1  LEU  50          2HD1      LEU  50  -3.316  -5.893  -3.705
  359   3HD1  LEU  50          3HD1      LEU  50  -2.308  -7.012  -2.788
  360   1HD2  LEU  50          1HD2      LEU  50  -3.239  -6.913  -6.166
  361   2HD2  LEU  50          2HD2      LEU  50  -1.642  -7.198  -6.858
  362   3HD2  LEU  50          3HD2      LEU  50  -2.187  -5.549  -6.547
  363    H    GLY  51           H        GLY  51   2.279  -5.437  -4.560
  364   1HA   GLY  51          2HA       GLY  51   2.812  -2.731  -3.644
  365   2HA   GLY  51          1HA       GLY  51   3.957  -4.078  -3.604
  366    H    ARG  52           H        ARG  52   3.448  -4.590  -6.492
  367    HA   ARG  52           HA       ARG  52   5.313  -2.535  -7.560
  368   1HB   ARG  52          2HB       ARG  52   5.344  -5.250  -7.591
  369   2HB   ARG  52          1HB       ARG  52   4.532  -4.924  -9.122
  370   1HG   ARG  52          2HG       ARG  52   6.530  -3.104  -9.264
  371   2HG   ARG  52          1HG       ARG  52   7.329  -4.356  -8.311
  372   1HD   ARG  52          2HD       ARG  52   5.830  -4.986 -10.865
  373   2HD   ARG  52          1HD       ARG  52   7.563  -4.603 -10.843
  374    HE   ARG  52           HE       ARG  52   6.329  -6.908  -9.382
  375   1HH1  ARG  52          1HH2      ARG  52   8.977  -5.742  -8.385
  376   2HH1  ARG  52          2HH2      ARG  52  10.111  -6.792  -9.165
  377   1HH2  ARG  52          2HH1      ARG  52   7.796  -8.051 -11.419
  378   2HH2  ARG  52          1HH1      ARG  52   9.442  -8.101 -10.884
  379    H    VAL  53           H        VAL  53   2.055  -3.860  -7.960
  380    HA   VAL  53           HA       VAL  53   1.589  -2.557 -10.534
  381    HB   VAL  53           HB       VAL  53  -0.066  -3.891  -8.389
  382   1HG1  VAL  53          1HG1      VAL  53  -1.970  -2.909  -9.089
  383   2HG1  VAL  53          2HG1      VAL  53  -1.619  -3.385 -10.750
  384   3HG1  VAL  53          3HG1      VAL  53  -1.024  -1.849 -10.133
  385   1HG2  VAL  53          1HG2      VAL  53  -0.179  -5.650  -9.889
  386   2HG2  VAL  53          2HG2      VAL  53   1.374  -4.962 -10.363
  387   3HG2  VAL  53          3HG2      VAL  53  -0.078  -4.592 -11.300
  388    H    TRP  54           H        TRP  54   1.138  -1.792  -7.123
  389    HA   TRP  54           HA       TRP  54  -0.387   0.621  -7.499
  390   1HB   TRP  54          2HB       TRP  54  -0.389  -0.268  -5.314
  391   2HB   TRP  54          1HB       TRP  54   1.350  -0.570  -5.337
  392    HD1  TRP  54           HD1      TRP  54   2.954   1.640  -5.260
  393    HE1  TRP  54           HE1      TRP  54   2.587   3.914  -4.146
  394    HE3  TRP  54           HE3      TRP  54  -2.089   1.434  -4.512
  395    HZ2  TRP  54           HZ2      TRP  54   0.432   5.451  -3.028
  396    HZ3  TRP  54           HZ3      TRP  54  -3.277   3.313  -3.399
  397    HH2  TRP  54           HH2      TRP  54  -2.022   5.313  -2.668
  398    H    GLU  55           H        GLU  55   3.115   0.084  -6.862
  399    HA   GLU  55           HA       GLU  55   4.017   2.712  -6.976
  400   1HB   GLU  55          2HB       GLU  55   5.170   0.098  -7.927
  401   2HB   GLU  55          1HB       GLU  55   6.107   1.592  -7.959
  402   1HG   GLU  55          2HG       GLU  55   4.859   1.427  -5.407
  403   2HG   GLU  55          1HG       GLU  55   5.611  -0.136  -5.734
  404    H    LEU  56           H        LEU  56   3.927   0.526  -9.814
  405    HA   LEU  56           HA       LEU  56   4.464   2.597 -11.715
  406   1HB   LEU  56          2HB       LEU  56   2.990  -0.046 -11.972
  407   2HB   LEU  56          1HB       LEU  56   3.602   0.901 -13.330
  408    HG   LEU  56           HG       LEU  56   5.601   0.391 -11.227
  409   1HD1  LEU  56          1HD1      LEU  56   5.158  -1.975 -12.945
  410   2HD1  LEU  56          2HD1      LEU  56   3.954  -1.731 -11.679
  411   3HD1  LEU  56          3HD1      LEU  56   5.660  -1.886 -11.256
  412   1HD2  LEU  56          1HD2      LEU  56   6.223  -0.596 -13.880
  413   2HD2  LEU  56          2HD2      LEU  56   6.945   0.765 -13.024
  414   3HD2  LEU  56          3HD2      LEU  56   5.492   1.003 -13.997
  415    H    SER  57           H        SER  57   1.714   1.907  -9.819
  416    HA   SER  57           HA       SER  57  -0.245   3.173 -11.647
  417   1HB   SER  57          2HB       SER  57  -1.346   1.519 -10.515
  418   2HB   SER  57          1HB       SER  57  -0.190   1.532  -9.188
  419    HG   SER  57           HG       SER  57  -2.068   2.360  -8.384
  420    H    ASP  58           H        ASP  58   1.308   3.736  -8.482
  421    HA   ASP  58           HA       ASP  58   0.024   6.227  -7.878
  422   1HB   ASP  58          2HB       ASP  58   1.520   4.481  -6.535
  423   2HB   ASP  58          1HB       ASP  58   2.809   5.595  -6.991
  424    H    ILE  59           H        ILE  59   0.242   7.254 -10.104
  425    HA   ILE  59           HA       ILE  59   2.635   7.921 -11.397
  426    HB   ILE  59           HB       ILE  59   0.105   9.542 -10.977
  427   1HG1  ILE  59          2HG1      ILE  59  -0.231   7.282 -11.948
  428   2HG1  ILE  59          1HG1      ILE  59  -0.567   8.547 -13.130
  429   1HG2  ILE  59          1HG2      ILE  59   0.761  10.678 -13.078
  430   2HG2  ILE  59          2HG2      ILE  59   2.275   9.772 -13.086
  431   3HG2  ILE  59          3HG2      ILE  59   1.953  10.940 -11.804
  432   1HD1  ILE  59          1HD1      ILE  59   1.778   8.276 -13.988
  433   2HD1  ILE  59          2HD1      ILE  59   0.777   6.839 -14.205
  434   3HD1  ILE  59          3HD1      ILE  59   1.965   6.898 -12.902
  435    H    ASP  60           H        ASP  60   1.290   9.257  -8.433
  436    HA   ASP  60           HA       ASP  60   3.398  11.374  -8.378
  437   1HB   ASP  60          2HB       ASP  60   1.137  10.968  -6.416
  438   2HB   ASP  60          1HB       ASP  60   1.959  12.469  -6.844
  439    H    HIS  61           H        HIS  61   2.504   8.337  -6.957
  440    HA   HIS  61           HA       HIS  61   3.578   7.016  -5.313
  441   1HB   HIS  61          2HB       HIS  61   5.870   8.965  -5.432
  442   2HB   HIS  61          1HB       HIS  61   5.918   7.208  -5.315
  443    HD1  HIS  61           HD1      HIS  61   5.576   5.845  -7.522
  444    HD2  HIS  61           HD2      HIS  61   5.626   9.978  -8.076
  445    HE1  HIS  61           HE1      HIS  61   5.808   6.232 -10.015
  446    H    ASP  62           H        ASP  62   1.788   8.935  -4.301
  447    HA   ASP  62           HA       ASP  62   3.240  10.024  -1.911
  448   1HB   ASP  62          2HB       ASP  62   1.279  11.615  -1.871
  449   2HB   ASP  62          1HB       ASP  62   2.269  11.743  -3.325
  450    H    GLY  63           H        GLY  63   1.573   7.383  -2.710
  451   1HA   GLY  63          2HA       GLY  63   0.591   5.810  -1.210
  452   2HA   GLY  63          1HA       GLY  63   0.444   7.094  -0.006
  453    H    MET  64           H        MET  64  -0.649   7.545  -3.308
  454    HA   MET  64           HA       MET  64  -3.471   7.049  -2.538
  455   1HB   MET  64          2HB       MET  64  -2.287   9.717  -3.333
  456   2HB   MET  64          1HB       MET  64  -4.016   9.391  -3.316
  457   1HG   MET  64          2HG       MET  64  -3.995   8.974  -0.955
  458   2HG   MET  64          1HG       MET  64  -2.231   9.029  -0.909
  459   1HE   MET  64          1HE       MET  64  -4.860  10.358   0.354
  460   2HE   MET  64          2HE       MET  64  -5.568  11.315  -0.945
  461   3HE   MET  64          3HE       MET  64  -4.782  12.125   0.410
  462    H    LEU  65           H        LEU  65  -4.930   7.184  -4.436
  463    HA   LEU  65           HA       LEU  65  -3.513   7.007  -7.072
  464   1HB   LEU  65          2HB       LEU  65  -5.502   5.173  -5.735
  465   2HB   LEU  65          1HB       LEU  65  -5.373   5.209  -7.490
  466    HG   LEU  65           HG       LEU  65  -3.295   4.370  -5.469
  467   1HD1  LEU  65          1HD1      LEU  65  -5.011   2.814  -6.630
  468   2HD1  LEU  65          2HD1      LEU  65  -3.313   2.335  -6.677
  469   3HD1  LEU  65          3HD1      LEU  65  -4.058   3.081  -8.090
  470   1HD2  LEU  65          1HD2      LEU  65  -2.074   5.878  -6.909
  471   2HD2  LEU  65          2HD2      LEU  65  -2.872   5.237  -8.346
  472   3HD2  LEU  65          3HD2      LEU  65  -1.720   4.242  -7.458
  473    H    ASP  66           H        ASP  66  -4.276   8.823  -8.135
  474    HA   ASP  66           HA       ASP  66  -6.845  10.033  -7.617
  475   1HB   ASP  66          2HB       ASP  66  -5.071  10.284 -10.067
  476   2HB   ASP  66          1HB       ASP  66  -6.200  11.484  -9.444
  477    H    ARG  67           H        ARG  67  -8.629  10.156  -9.195
  478    HA   ARG  67           HA       ARG  67  -9.764   7.804 -10.063
  479   1HB   ARG  67          2HB       ARG  67 -10.845   9.312 -11.850
  480   2HB   ARG  67          1HB       ARG  67 -10.994   9.838 -10.175
  481   1HG   ARG  67          2HG       ARG  67  -8.565  10.937 -11.037
  482   2HG   ARG  67          1HG       ARG  67  -9.659  11.155 -12.402
  483   1HD   ARG  67          2HD       ARG  67 -10.780  11.778  -9.711
  484   2HD   ARG  67          1HD       ARG  67  -9.575  12.910 -10.356
  485    HE   ARG  67           HE       ARG  67 -11.172  12.530 -12.531
  486   1HH1  ARG  67          1HH2      ARG  67 -11.604  13.566  -9.286
  487   2HH1  ARG  67          2HH2      ARG  67 -13.174  14.243  -9.564
  488   1HH2  ARG  67          2HH1      ARG  67 -13.316  13.226 -12.877
  489   2HH2  ARG  67          1HH1      ARG  67 -14.145  14.048 -11.598
  490    H    ASP  68           H        ASP  68  -7.449   9.767 -11.926
  491    HA   ASP  68           HA       ASP  68  -7.445   7.884 -14.184
  492   1HB   ASP  68          2HB       ASP  68  -7.147  10.364 -14.367
  493   2HB   ASP  68          1HB       ASP  68  -5.630  10.216 -13.480
  494    H    GLU  69           H        GLU  69  -5.471   8.622 -11.364
  495    HA   GLU  69           HA       GLU  69  -3.184   7.005 -12.058
  496   1HB   GLU  69          2HB       GLU  69  -3.892   8.852 -10.148
  497   2HB   GLU  69          1HB       GLU  69  -3.924   7.353  -9.218
  498   1HG   GLU  69          2HG       GLU  69  -1.669   6.859  -9.748
  499   2HG   GLU  69          1HG       GLU  69  -1.613   8.089 -11.008
  500    H    PHE  70           H        PHE  70  -5.975   6.482  -9.912
  501    HA   PHE  70           HA       PHE  70  -5.450   3.819  -9.133
  502   1HB   PHE  70          2HB       PHE  70  -7.182   5.337  -8.202
  503   2HB   PHE  70          1HB       PHE  70  -8.077   5.236  -9.718
  504    HD1  PHE  70           HD1      PHE  70  -7.135   3.489  -6.642
  505    HD2  PHE  70           HD2      PHE  70  -9.184   3.142 -10.399
  506    HE1  PHE  70           HE1      PHE  70  -8.232   1.411  -5.851
  507    HE2  PHE  70           HE2      PHE  70 -10.282   1.063  -9.609
  508    HZ   PHE  70           HZ       PHE  70  -9.802   0.198  -7.334
  509    H    ALA  71           H        ALA  71  -6.524   5.170 -12.158
  510    HA   ALA  71           HA       ALA  71  -7.764   2.825 -13.281
  511   1HB   ALA  71          1HB       ALA  71  -7.581   4.081 -15.339
  512   2HB   ALA  71          2HB       ALA  71  -6.260   5.049 -14.682
  513   3HB   ALA  71          3HB       ALA  71  -7.894   5.238 -14.045
  514    H    VAL  72           H        VAL  72  -4.483   4.164 -13.582
  515    HA   VAL  72           HA       VAL  72  -3.381   2.161 -15.262
  516    HB   VAL  72           HB       VAL  72  -2.146   3.794 -13.019
  517   1HG1  VAL  72          1HG1      VAL  72  -0.904   1.749 -14.209
  518   2HG1  VAL  72          2HG1      VAL  72  -0.053   3.244 -13.821
  519   3HG1  VAL  72          3HG1      VAL  72  -0.639   2.963 -15.460
  520   1HG2  VAL  72          1HG2      VAL  72  -3.398   5.073 -14.796
  521   2HG2  VAL  72          2HG2      VAL  72  -2.301   4.384 -15.993
  522   3HG2  VAL  72          3HG2      VAL  72  -1.675   5.450 -14.733
  523    H    ALA  73           H        ALA  73  -4.151   2.111 -11.840
  524    HA   ALA  73           HA       ALA  73  -2.464  -0.232 -11.254
  525   1HB   ALA  73          1HB       ALA  73  -4.676   0.734  -9.492
  526   2HB   ALA  73          2HB       ALA  73  -3.330   1.836  -9.821
  527   3HB   ALA  73          3HB       ALA  73  -3.027   0.266  -9.072
  528    H    MET  74           H        MET  74  -5.655   0.195 -12.542
  529    HA   MET  74           HA       MET  74  -6.650  -2.356 -11.432
  530   1HB   MET  74          2HB       MET  74  -7.899  -0.781 -13.678
  531   2HB   MET  74          1HB       MET  74  -8.696  -1.730 -12.427
  532   1HG   MET  74          2HG       MET  74  -7.486   1.012 -12.236
  533   2HG   MET  74          1HG       MET  74  -9.077   0.473 -11.722
  534   1HE   MET  74          1HE       MET  74  -9.239  -1.400  -9.357
  535   2HE   MET  74          2HE       MET  74  -7.694  -2.173  -9.013
  536   3HE   MET  74          3HE       MET  74  -8.334  -2.194 -10.652
  537    H    PHE  75           H        PHE  75  -5.383  -1.172 -14.539
  538    HA   PHE  75           HA       PHE  75  -5.933  -3.730 -15.860
  539   1HB   PHE  75          2HB       PHE  75  -5.122  -2.631 -17.768
  540   2HB   PHE  75          1HB       PHE  75  -5.708  -1.275 -16.804
  541    HD1  PHE  75           HD1      PHE  75  -2.709  -3.120 -17.925
  542    HD2  PHE  75           HD2      PHE  75  -4.189   0.278 -15.762
  543    HE1  PHE  75           HE1      PHE  75  -0.428  -2.152 -17.889
  544    HE2  PHE  75           HE2      PHE  75  -1.917   1.241 -15.732
  545    HZ   PHE  75           HZ       PHE  75  -0.035   0.030 -16.783
  546    H    LEU  76           H        LEU  76  -3.351  -2.258 -14.025
  547    HA   LEU  76           HA       LEU  76  -1.239  -4.082 -14.818
  548   1HB   LEU  76          2HB       LEU  76  -1.764  -1.916 -12.888
  549   2HB   LEU  76          1HB       LEU  76  -0.624  -3.127 -12.306
  550    HG   LEU  76           HG       LEU  76  -0.415  -1.668 -14.954
  551   1HD1  LEU  76          1HD1      LEU  76   0.130  -0.665 -12.446
  552   2HD1  LEU  76          2HD1      LEU  76   0.892  -0.117 -13.938
  553   3HD1  LEU  76          3HD1      LEU  76   1.693  -1.324 -12.933
  554   1HD2  LEU  76          1HD2      LEU  76   0.703  -4.120 -14.090
  555   2HD2  LEU  76          2HD2      LEU  76   2.000  -2.930 -13.991
  556   3HD2  LEU  76          3HD2      LEU  76   1.154  -3.187 -15.517
  557    H    VAL  77           H        VAL  77  -3.931  -4.195 -12.638
  558    HA   VAL  77           HA       VAL  77  -2.892  -6.512 -11.103
  559    HB   VAL  77           HB       VAL  77  -5.477  -4.898 -11.115
  560   1HG1  VAL  77          1HG1      VAL  77  -6.389  -6.407  -9.702
  561   2HG1  VAL  77          2HG1      VAL  77  -4.936  -6.432  -8.703
  562   3HG1  VAL  77          3HG1      VAL  77  -5.060  -7.495 -10.104
  563   1HG2  VAL  77          1HG2      VAL  77  -4.606  -3.891  -9.112
  564   2HG2  VAL  77          2HG2      VAL  77  -3.353  -3.778 -10.343
  565   3HG2  VAL  77          3HG2      VAL  77  -3.235  -4.999  -9.075
  566    H    TYR  78           H        TYR  78  -5.245  -5.779 -13.641
  567    HA   TYR  78           HA       TYR  78  -6.426  -8.448 -13.615
  568   1HB   TYR  78          2HB       TYR  78  -6.578  -5.920 -15.204
  569   2HB   TYR  78          1HB       TYR  78  -7.187  -7.396 -15.955
  570    HD1  TYR  78           HD1      TYR  78  -8.467  -4.696 -14.526
  571    HD2  TYR  78           HD2      TYR  78  -8.244  -8.906 -13.695
  572    HE1  TYR  78           HE1      TYR  78 -10.534  -4.532 -13.168
  573    HE2  TYR  78           HE2      TYR  78 -10.320  -8.742 -12.335
  574    HH   TYR  78           HH       TYR  78 -12.096  -7.409 -11.841
  575    H    CYS  79           H        CYS  79  -3.689  -6.920 -15.140
  576    HA   CYS  79           HA       CYS  79  -3.439  -8.950 -17.246
  577   1HB   CYS  79          2HB       CYS  79  -2.191  -6.416 -16.385
  578   2HB   CYS  79          1HB       CYS  79  -1.047  -7.570 -17.068
  579    HG   CYS  79           HG       CYS  79  -3.623  -7.007 -18.709
  580    H    ALA  80           H        ALA  80  -2.600  -8.675 -13.926
  581    HA   ALA  80           HA       ALA  80  -0.279 -10.485 -14.116
  582   1HB   ALA  80          1HB       ALA  80  -0.663 -10.252 -11.515
  583   2HB   ALA  80          2HB       ALA  80  -1.749  -8.946 -11.995
  584   3HB   ALA  80          3HB       ALA  80  -0.040  -8.880 -12.431
  585    H    LEU  81           H        LEU  81  -3.672 -10.687 -13.887
  586    HA   LEU  81           HA       LEU  81  -3.680 -13.330 -12.558
  587   1HB   LEU  81          2HB       LEU  81  -6.009 -11.877 -13.804
  588   2HB   LEU  81          1HB       LEU  81  -6.023 -12.997 -12.441
  589    HG   LEU  81           HG       LEU  81  -4.895 -10.202 -12.504
  590   1HD1  LEU  81          1HD1      LEU  81  -7.409 -10.630 -12.180
  591   2HD1  LEU  81          2HD1      LEU  81  -6.604  -9.665 -10.942
  592   3HD1  LEU  81          3HD1      LEU  81  -6.964 -11.365 -10.640
  593   1HD2  LEU  81          1HD2      LEU  81  -3.348 -11.294 -11.146
  594   2HD2  LEU  81          2HD2      LEU  81  -4.532 -12.472 -10.578
  595   3HD2  LEU  81          3HD2      LEU  81  -4.572 -10.815  -9.970
  596    H    GLU  82           H        GLU  82  -4.607 -11.922 -15.718
  597    HA   GLU  82           HA       GLU  82  -4.614 -14.724 -16.797
  598   1HB   GLU  82          2HB       GLU  82  -6.020 -12.499 -18.199
  599   2HB   GLU  82          1HB       GLU  82  -6.501 -14.182 -18.008
  600   1HG   GLU  82          2HG       GLU  82  -6.745 -13.536 -15.473
  601   2HG   GLU  82          1HG       GLU  82  -6.839 -11.888 -16.098
  602    H    LYS  83           H        LYS  83  -2.983 -11.698 -17.073
  603    HA   LYS  83           HA       LYS  83  -2.126 -12.379 -19.860
  604   1HB   LYS  83          2HB       LYS  83  -2.147  -9.875 -18.183
  605   2HB   LYS  83          1HB       LYS  83  -1.232  -9.970 -19.686
  606   1HG   LYS  83          2HG       LYS  83  -3.954 -10.999 -19.975
  607   2HG   LYS  83          1HG       LYS  83  -3.921  -9.308 -19.474
  608   1HD   LYS  83          2HD       LYS  83  -1.974  -9.316 -21.388
  609   2HD   LYS  83          1HD       LYS  83  -3.078 -10.533 -22.029
  610   1HE   LYS  83          2HE       LYS  83  -4.960  -8.831 -21.589
  611   2HE   LYS  83          1HE       LYS  83  -3.666  -7.634 -21.395
  612   1HZ   LYS  83          1HZ       LYS  83  -3.812  -7.530 -23.634
  613   2HZ   LYS  83          2HZ       LYS  83  -4.514  -9.071 -23.777
  614   3HZ   LYS  83          3HZ       LYS  83  -2.836  -8.915 -23.574
  615    H    GLU  84           H        GLU  84  -0.275 -10.403 -17.636
  616    HA   GLU  84           HA       GLU  84   1.796 -12.533 -17.337
  617   1HB   GLU  84          2HB       GLU  84   2.043  -9.842 -18.708
  618   2HB   GLU  84          1HB       GLU  84   3.454 -10.734 -18.143
  619   1HG   GLU  84          2HG       GLU  84   1.394 -12.038 -19.920
  620   2HG   GLU  84          1HG       GLU  84   2.718 -11.091 -20.598
  621    HA   PRO  85           HA       PRO  85   2.486 -10.759 -13.393
  622   1HB   PRO  85          2HB       PRO  85   5.224 -10.512 -13.238
  623   2HB   PRO  85          1HB       PRO  85   4.366 -12.061 -13.091
  624   1HG   PRO  85          2HG       PRO  85   5.702 -10.864 -15.484
  625   2HG   PRO  85          1HG       PRO  85   5.773 -12.527 -14.872
  626   1HD   PRO  85          2HD       PRO  85   4.196 -11.888 -16.931
  627   2HD   PRO  85          1HD       PRO  85   3.669 -13.064 -15.707
  628    H    VAL  86           H        VAL  86   3.927  -8.811 -12.335
  629    HA   VAL  86           HA       VAL  86   3.550  -6.492 -14.193
  630    HB   VAL  86           HB       VAL  86   3.348  -6.764 -11.179
  631   1HG1  VAL  86          1HG1      VAL  86   3.328  -4.511 -11.026
  632   2HG1  VAL  86          2HG1      VAL  86   2.221  -4.364 -12.390
  633   3HG1  VAL  86          3HG1      VAL  86   3.958  -4.482 -12.673
  634   1HG2  VAL  86          1HG2      VAL  86   1.268  -7.487 -11.689
  635   2HG2  VAL  86          2HG2      VAL  86   1.485  -7.102 -13.396
  636   3HG2  VAL  86          3HG2      VAL  86   0.940  -5.856 -12.275
  637    HA   PRO  87           HA       PRO  87   7.938  -5.990 -13.464
  638   1HB   PRO  87          2HB       PRO  87   8.308  -4.082 -15.380
  639   2HB   PRO  87          1HB       PRO  87   8.166  -5.807 -15.767
  640   1HG   PRO  87          2HG       PRO  87   6.197  -3.631 -16.102
  641   2HG   PRO  87          1HG       PRO  87   6.414  -5.116 -17.037
  642   1HD   PRO  87          2HD       PRO  87   4.463  -4.661 -15.085
  643   2HD   PRO  87          1HD       PRO  87   4.913  -6.236 -15.773
  644    H    MET  88           H        MET  88   9.155  -3.527 -13.601
  645    HA   MET  88           HA       MET  88   7.533  -1.844 -11.706
  646   1HB   MET  88          2HB       MET  88  10.510  -2.324 -11.950
  647   2HB   MET  88          1HB       MET  88   9.770  -1.194 -10.818
  648   1HG   MET  88          2HG       MET  88   8.431  -3.153  -9.907
  649   2HG   MET  88          1HG       MET  88   9.449  -4.208 -10.889
  650   1HE   MET  88          1HE       MET  88   9.371  -3.744  -7.153
  651   2HE   MET  88          2HE       MET  88   8.687  -2.391  -8.051
  652   3HE   MET  88          3HE       MET  88  10.100  -2.136  -7.032
  653    H    SER  89           H        SER  89   8.135  -1.790 -14.817
  654    HA   SER  89           HA       SER  89   9.478   0.850 -14.891
  655   1HB   SER  89          2HB       SER  89   8.761  -1.182 -17.014
  656   2HB   SER  89          1HB       SER  89   9.617   0.323 -17.338
  657    HG   SER  89           HG       SER  89  10.713  -1.896 -16.693
  658    H    LEU  90           H        LEU  90   8.279   2.592 -14.888
  659    HA   LEU  90           HA       LEU  90   5.495   2.563 -15.961
  660   1HB   LEU  90          2HB       LEU  90   6.989   3.838 -13.827
  661   2HB   LEU  90          1HB       LEU  90   6.184   5.052 -14.824
  662    HG   LEU  90           HG       LEU  90   4.916   2.672 -13.476
  663   1HD1  LEU  90          1HD1      LEU  90   4.926   5.648 -13.042
  664   2HD1  LEU  90          2HD1      LEU  90   5.114   4.355 -11.857
  665   3HD1  LEU  90          3HD1      LEU  90   3.527   4.701 -12.543
  666   1HD2  LEU  90          1HD2      LEU  90   3.713   2.841 -15.494
  667   2HD2  LEU  90          2HD2      LEU  90   3.910   4.592 -15.569
  668   3HD2  LEU  90          3HD2      LEU  90   2.788   3.881 -14.410
  669    HA   PRO  91           HA       PRO  91   8.095   4.615 -19.273
  670   1HB   PRO  91          2HB       PRO  91   6.749   3.461 -21.373
  671   2HB   PRO  91          1HB       PRO  91   8.146   2.706 -20.579
  672   1HG   PRO  91          2HG       PRO  91   5.234   2.205 -20.164
  673   2HG   PRO  91          1HG       PRO  91   6.566   1.045 -20.300
  674   1HD   PRO  91          2HD       PRO  91   5.537   1.722 -17.912
  675   2HD   PRO  91          1HD       PRO  91   7.270   1.388 -18.127
  676    HA   PRO  92           HA       PRO  92   5.176   7.733 -20.273
  677   1HB   PRO  92          2HB       PRO  92   5.535   8.200 -22.943
  678   2HB   PRO  92          1HB       PRO  92   6.713   8.687 -21.708
  679   1HG   PRO  92          2HG       PRO  92   6.735   6.322 -23.519
  680   2HG   PRO  92          1HG       PRO  92   8.070   7.376 -23.027
  681   1HD   PRO  92          2HD       PRO  92   7.656   4.930 -21.944
  682   2HD   PRO  92          1HD       PRO  92   8.384   6.274 -21.037
  683    H    ALA  93           H        ALA  93   4.833   4.675 -21.684
  684    HA   ALA  93           HA       ALA  93   2.475   5.203 -23.318
  685   1HB   ALA  93          1HB       ALA  93   3.223   3.200 -24.063
  686   2HB   ALA  93          2HB       ALA  93   2.630   2.482 -22.563
  687   3HB   ALA  93          3HB       ALA  93   4.299   3.046 -22.674
  688    H    LEU  94           H        LEU  94   3.076   5.004 -19.989
  689    HA   LEU  94           HA       LEU  94   0.201   4.356 -19.474
  690   1HB   LEU  94          2HB       LEU  94   2.614   3.809 -17.721
  691   2HB   LEU  94          1HB       LEU  94   0.963   3.266 -17.428
  692    HG   LEU  94           HG       LEU  94   1.800   2.469 -20.071
  693   1HD1  LEU  94          1HD1      LEU  94   3.447   1.174 -17.916
  694   2HD1  LEU  94          2HD1      LEU  94   4.037   2.641 -18.699
  695   3HD1  LEU  94          3HD1      LEU  94   3.716   1.196 -19.659
  696   1HD2  LEU  94          1HD2      LEU  94   0.011   1.562 -18.409
  697   2HD2  LEU  94          2HD2      LEU  94   1.366   0.694 -17.676
  698   3HD2  LEU  94          3HD2      LEU  94   0.932   0.386 -19.355
  699    H    VAL  95           H        VAL  95   2.327   6.852 -19.528
  700    HA   VAL  95           HA       VAL  95   1.475   8.034 -16.928
  701    HB   VAL  95           HB       VAL  95   3.571   8.780 -18.984
  702   1HG1  VAL  95          1HG1      VAL  95   4.291  10.495 -17.510
  703   2HG1  VAL  95          2HG1      VAL  95   3.298   9.884 -16.186
  704   3HG1  VAL  95          3HG1      VAL  95   2.536  10.668 -17.569
  705   1HG2  VAL  95          1HG2      VAL  95   3.756   7.528 -16.225
  706   2HG2  VAL  95          2HG2      VAL  95   5.134   7.994 -17.222
  707   3HG2  VAL  95          3HG2      VAL  95   4.057   6.705 -17.755
  708    HA   PRO  96           HA       PRO  96  -1.439  10.471 -19.298
  709   1HB   PRO  96          2HB       PRO  96  -2.410  11.855 -17.135
  710   2HB   PRO  96          1HB       PRO  96  -2.916  10.200 -17.525
  711   1HG   PRO  96          2HG       PRO  96  -0.934  11.154 -15.516
  712   2HG   PRO  96          1HG       PRO  96  -2.138   9.861 -15.388
  713   1HD   PRO  96          2HD       PRO  96   0.492   9.386 -15.848
  714   2HD   PRO  96          1HD       PRO  96  -0.803   8.327 -16.454
  715    HA   PRO  97           HA       PRO  97   0.668  14.337 -19.561
  716   1HB   PRO  97          2HB       PRO  97  -1.297  16.221 -19.766
  717   2HB   PRO  97          1HB       PRO  97  -0.932  15.061 -21.057
  718   1HG   PRO  97          2HG       PRO  97  -3.163  15.084 -19.114
  719   2HG   PRO  97          1HG       PRO  97  -3.116  14.486 -20.778
  720   1HD   PRO  97          2HD       PRO  97  -2.992  12.917 -18.486
  721   2HD   PRO  97          1HD       PRO  97  -2.522  12.401 -20.118
  722    H    SER  98           H        SER  98  -0.059  13.492 -16.710
  723    HA   SER  98           HA       SER  98  -0.174  16.190 -15.446
  724   1HB   SER  98          2HB       SER  98  -1.734  15.070 -14.220
  725   2HB   SER  98          1HB       SER  98  -1.207  13.514 -14.854
  726    HG   SER  98           HG       SER  98  -0.454  13.294 -12.891
  727    H    LYS  99           H        LYS  99   1.587  13.116 -15.437
  728    HA   LYS  99           HA       LYS  99   3.739  14.274 -13.765
  729   1HB   LYS  99          2HB       LYS  99   2.944  11.967 -13.408
  730   2HB   LYS  99          1HB       LYS  99   3.320  11.568 -15.084
  731   1HG   LYS  99          2HG       LYS  99   5.484  11.196 -14.579
  732   2HG   LYS  99          1HG       LYS  99   5.618  12.760 -13.776
  733   1HD   LYS  99          2HD       LYS  99   5.286  11.871 -11.705
  734   2HD   LYS  99          1HD       LYS  99   4.083  10.719 -12.286
  735   1HE   LYS  99          2HE       LYS  99   5.841   9.269 -11.768
  736   2HE   LYS  99          1HE       LYS  99   6.221   9.626 -13.464
  737   1HZ   LYS  99          1HZ       LYS  99   7.275  11.740 -12.148
  738   2HZ   LYS  99          2HZ       LYS  99   8.156  10.384 -12.667
  739   3HZ   LYS  99          3HZ       LYS  99   7.587  10.468 -11.069
  740    H    ARG 100           H        ARG 100   2.908  14.812 -16.811
  741    HA   ARG 100           HA       ARG 100   5.365  14.109 -18.252
  742   1HB   ARG 100          2HB       ARG 100   2.699  15.097 -18.754
  743   2HB   ARG 100          1HB       ARG 100   3.874  16.107 -19.595
  744   1HG   ARG 100          2HG       ARG 100   4.916  14.050 -20.541
  745   2HG   ARG 100          1HG       ARG 100   3.653  13.089 -19.772
  746   1HD   ARG 100          2HD       ARG 100   2.307  15.156 -21.166
  747   2HD   ARG 100          1HD       ARG 100   3.534  14.516 -22.279
  748    HE   ARG 100           HE       ARG 100   1.728  12.667 -20.770
  749   1HH1  ARG 100          1HH2      ARG 100   1.859  14.235 -23.701
  750   2HH1  ARG 100          2HH2      ARG 100   1.837  12.807 -24.681
  751   1HH2  ARG 100          2HH1      ARG 100   2.273  10.643 -22.011
  752   2HH2  ARG 100          1HH1      ARG 100   2.071  10.777 -23.726
  753    H    SER 107           1H       SER 107   2.030   4.815   5.283
  754    HA   SER 107           HA       SER 107   4.436   5.138   4.958
  755   1HB   SER 107          2HB       SER 107   4.777   3.142   6.056
  756   2HB   SER 107          1HB       SER 107   3.017   3.103   6.024
  757    HG   SER 107           HG       SER 107   3.083   1.543   4.603
  758    H    THR 108           H        THR 108   3.523   5.453   2.238
  759    HA   THR 108           HA       THR 108   4.297   5.103   0.032
  760    HB   THR 108           HB       THR 108   6.581   4.174   1.787
  761    HG1  THR 108           HG1      THR 108   7.262   6.186   1.515
  762   1HG2  THR 108          1HG2      THR 108   6.494   4.490  -1.224
  763   2HG2  THR 108          2HG2      THR 108   6.852   3.016  -0.322
  764   3HG2  THR 108          3HG2      THR 108   7.982   4.370  -0.287
  765    H    ASN 109           H        ASN 109   3.125   3.527  -1.025
  766    HA   ASN 109           HA       ASN 109   2.527   1.387  -1.825
  767   1HB   ASN 109          2HB       ASN 109   4.967   1.415  -2.294
  768   2HB   ASN 109          1HB       ASN 109   5.271   0.751  -0.688
  769   1HD2  ASN 109          1HD2      ASN 109   5.338  -0.288  -3.732
  770   2HD2  ASN 109          2HD2      ASN 109   4.703  -1.849  -3.561
  771    HA   PRO 110           HA       PRO 110   1.088   0.157   2.344
  772   1HB   PRO 110          2HB       PRO 110  -1.440  -0.451   1.492
  773   2HB   PRO 110          1HB       PRO 110  -0.930   1.198   1.902
  774   1HG   PRO 110          2HG       PRO 110  -1.145  -0.099  -0.777
  775   2HG   PRO 110          1HG       PRO 110  -1.644   1.522  -0.268
  776   1HD   PRO 110          2HD       PRO 110   0.645   1.094  -1.619
  777   2HD   PRO 110          1HD       PRO 110   0.498   2.369  -0.392
  778    H    PHE 111           H        PHE 111   1.910  -1.520  -0.422
  779    HA   PHE 111           HA       PHE 111   0.802  -4.111   0.568
  780   1HB   PHE 111          2HB       PHE 111   2.291  -3.740  -2.029
  781   2HB   PHE 111          1HB       PHE 111   1.004  -4.884  -1.650
  782    HD1  PHE 111           HD1      PHE 111   1.721  -1.276  -2.220
  783    HD2  PHE 111           HD2      PHE 111  -1.301  -4.345  -2.089
  784    HE1  PHE 111           HE1      PHE 111   0.061   0.307  -3.140
  785    HE2  PHE 111           HE2      PHE 111  -2.945  -2.743  -2.999
  786    HZ   PHE 111           HZ       PHE 111  -2.265  -0.418  -3.522
  787    H    ARG 112           HN       ARG 112   3.825  -2.975  -0.961
  788    HA   ARG 112           HA       ARG 112   5.470  -5.062   0.085
  789   1HB   ARG 112          2HB       ARG 112   5.670  -2.681  -1.501
  790   2HB   ARG 112          1HB       ARG 112   6.966  -2.660  -0.304
  791   1HG   ARG 112          2HG       ARG 112   6.557  -5.294  -1.549
  792   2HG   ARG 112          1HG       ARG 112   7.049  -4.041  -2.689
  793   1HD   ARG 112          2HD       ARG 112   9.110  -3.724  -1.663
  794   2HD   ARG 112          1HD       ARG 112   8.512  -4.236  -0.073
  795    HE   ARG 112           HE       ARG 112   8.230  -6.503  -1.643
  796   1HH1  ARG 112          1HH2      ARG 112  10.256  -6.111   0.628
  797   2HH1  ARG 112          2HH2      ARG 112  11.734  -6.509  -0.184
  798   1HH2  ARG 112          1HH1      ARG 112  10.371  -6.256  -3.359
  799   2HH2  ARG 112          2HH1      ARG 112  11.798  -6.592  -2.437
  Start of MODEL    7
    1    HA   PRO   6           HA       PRO   6  -1.450   6.460 -27.070
    2   1HB   PRO   6          2HB       PRO   6  -3.568   4.776 -26.669
    3   2HB   PRO   6          1HB       PRO   6  -3.282   5.625 -28.201
    4   1HG   PRO   6          2HG       PRO   6  -2.681   2.804 -27.462
    5   2HG   PRO   6          1HG       PRO   6  -3.298   3.464 -28.985
    6   1HD   PRO   6          2HD       PRO   6  -0.701   2.740 -28.612
    7   2HD   PRO   6          1HD       PRO   6  -1.210   4.010 -29.747
    8    H    TRP   7           H        TRP   7  -2.919   5.989 -24.942
    9    HA   TRP   7           HA       TRP   7  -1.093   5.235 -22.835
   10   1HB   TRP   7          2HB       TRP   7  -2.864   6.965 -22.705
   11   2HB   TRP   7          1HB       TRP   7  -4.093   5.717 -22.893
   12    HD1  TRP   7           HD1      TRP   7  -1.233   4.580 -20.850
   13    HE1  TRP   7           HE1      TRP   7  -1.862   4.561 -18.349
   14    HE3  TRP   7           HE3      TRP   7  -5.628   7.169 -21.029
   15    HZ2  TRP   7           HZ2      TRP   7  -3.951   5.525 -16.649
   16    HZ3  TRP   7           HZ3      TRP   7  -6.915   7.606 -18.957
   17    HH2  TRP   7           HH2      TRP   7  -6.084   6.787 -16.770
   18    H    ALA   8           H        ALA   8  -0.702   3.161 -22.171
   19    HA   ALA   8           HA       ALA   8  -1.725   0.811 -23.194
   20   1HB   ALA   8          1HB       ALA   8  -0.819  -0.224 -21.233
   21   2HB   ALA   8          2HB       ALA   8  -1.074   1.239 -20.280
   22   3HB   ALA   8          3HB       ALA   8   0.160   1.210 -21.541
   23    H    VAL   9           H        VAL   9  -3.236   2.951 -20.890
   24    HA   VAL   9           HA       VAL   9  -5.420   0.976 -20.418
   25    HB   VAL   9           HB       VAL   9  -4.695   3.619 -19.117
   26   1HG1  VAL   9          1HG1      VAL   9  -6.606   3.484 -17.914
   27   2HG1  VAL   9          2HG1      VAL   9  -6.396   1.756 -17.634
   28   3HG1  VAL   9          3HG1      VAL   9  -7.153   2.323 -19.122
   29   1HG2  VAL   9          1HG2      VAL   9  -3.088   1.688 -18.792
   30   2HG2  VAL   9          2HG2      VAL   9  -4.423   0.786 -18.063
   31   3HG2  VAL   9          3HG2      VAL   9  -3.834   2.264 -17.300
   32    H    LYS  10           H        LYS  10  -7.485   1.372 -21.228
   33    HA   LYS  10           HA       LYS  10  -7.799   3.839 -22.900
   34   1HB   LYS  10          2HB       LYS  10  -8.427   0.978 -23.149
   35   2HB   LYS  10          1HB       LYS  10  -9.762   2.027 -23.620
   36   1HG   LYS  10          2HG       LYS  10  -8.132   3.319 -25.050
   37   2HG   LYS  10          1HG       LYS  10  -6.934   2.073 -24.700
   38   1HD   LYS  10          2HD       LYS  10  -7.897   0.583 -26.112
   39   2HD   LYS  10          1HD       LYS  10  -9.527   1.006 -25.591
   40   1HE   LYS  10          2HE       LYS  10  -9.791   2.575 -27.249
   41   2HE   LYS  10          1HE       LYS  10  -8.092   3.081 -27.174
   42   1HZ   LYS  10          1HZ       LYS  10  -9.253   1.253 -28.947
   43   2HZ   LYS  10          2HZ       LYS  10  -8.198   0.380 -27.943
   44   3HZ   LYS  10          3HZ       LYS  10  -7.623   1.705 -28.836
   45    HA   PRO  11           HA       PRO  11 -11.279   5.244 -20.647
   46   1HB   PRO  11          2HB       PRO  11 -13.310   5.436 -22.489
   47   2HB   PRO  11          1HB       PRO  11 -11.942   6.567 -22.423
   48   1HG   PRO  11          2HG       PRO  11 -12.347   4.195 -24.194
   49   2HG   PRO  11          1HG       PRO  11 -11.739   5.811 -24.598
   50   1HD   PRO  11          2HD       PRO  11 -10.076   3.730 -24.258
   51   2HD   PRO  11          1HD       PRO  11  -9.627   5.376 -23.754
   52    H    GLU  12           H        GLU  12 -12.074   2.479 -22.760
   53    HA   GLU  12           HA       GLU  12 -14.390   1.624 -21.261
   54   1HB   GLU  12          2HB       GLU  12 -14.260  -0.292 -22.681
   55   2HB   GLU  12          1HB       GLU  12 -13.608   1.031 -23.648
   56   1HG   GLU  12          2HG       GLU  12 -11.322   0.362 -23.082
   57   2HG   GLU  12          1HG       GLU  12 -11.936  -0.920 -22.035
   58    H    ASP  13           H        ASP  13 -10.927   0.929 -21.068
   59    HA   ASP  13           HA       ASP  13 -11.240  -1.058 -18.932
   60   1HB   ASP  13          2HB       ASP  13  -9.261  -0.154 -20.793
   61   2HB   ASP  13          1HB       ASP  13  -8.590   0.022 -19.172
   62    H    LYS  14           H        LYS  14 -10.336   2.339 -19.296
   63    HA   LYS  14           HA       LYS  14  -9.743   2.748 -16.473
   64   1HB   LYS  14          2HB       LYS  14  -8.880   4.037 -18.515
   65   2HB   LYS  14          1HB       LYS  14 -10.472   4.797 -18.580
   66   1HG   LYS  14          2HG       LYS  14  -9.627   4.956 -15.883
   67   2HG   LYS  14          1HG       LYS  14  -8.244   5.436 -16.867
   68   1HD   LYS  14          2HD       LYS  14  -9.666   7.048 -18.082
   69   2HD   LYS  14          1HD       LYS  14 -11.048   6.574 -17.093
   70   1HE   LYS  14          2HE       LYS  14  -9.223   7.146 -15.143
   71   2HE   LYS  14          1HE       LYS  14  -8.752   8.312 -16.396
   72   1HZ   LYS  14          1HZ       LYS  14 -11.440   7.911 -15.207
   73   2HZ   LYS  14          2HZ       LYS  14 -11.194   8.784 -16.643
   74   3HZ   LYS  14          3HZ       LYS  14 -10.497   9.321 -15.189
   75    H    ALA  15           H        ALA  15 -12.561   2.573 -18.422
   76    HA   ALA  15           HA       ALA  15 -14.307   4.286 -16.859
   77   1HB   ALA  15          1HB       ALA  15 -14.608   2.076 -18.901
   78   2HB   ALA  15          2HB       ALA  15 -14.950   3.796 -19.092
   79   3HB   ALA  15          3HB       ALA  15 -16.026   2.785 -18.126
   80    H    LYS  16           H        LYS  16 -13.538   0.810 -16.912
   81    HA   LYS  16           HA       LYS  16 -15.372   0.170 -14.736
   82   1HB   LYS  16          2HB       LYS  16 -14.829  -1.968 -15.354
   83   2HB   LYS  16          1HB       LYS  16 -14.093  -1.185 -16.750
   84   1HG   LYS  16          2HG       LYS  16 -11.927  -1.217 -15.733
   85   2HG   LYS  16          1HG       LYS  16 -12.596  -1.717 -14.179
   86   1HD   LYS  16          2HD       LYS  16 -11.691  -3.695 -15.184
   87   2HD   LYS  16          1HD       LYS  16 -13.444  -3.810 -15.355
   88   1HE   LYS  16          2HE       LYS  16 -12.847  -2.495 -17.655
   89   2HE   LYS  16          1HE       LYS  16 -11.369  -3.456 -17.449
   90   1HZ   LYS  16          1HZ       LYS  16 -13.947  -4.742 -16.913
   91   2HZ   LYS  16          2HZ       LYS  16 -12.507  -5.415 -17.512
   92   3HZ   LYS  16          3HZ       LYS  16 -13.510  -4.499 -18.533
   93    H    TYR  17           H        TYR  17 -12.069   1.239 -15.093
   94    HA   TYR  17           HA       TYR  17 -11.130   0.553 -12.435
   95   1HB   TYR  17          2HB       TYR  17 -10.290   2.655 -14.464
   96   2HB   TYR  17          1HB       TYR  17  -9.337   2.185 -13.060
   97    HD1  TYR  17           HD1      TYR  17  -7.846   1.886 -15.374
   98    HD2  TYR  17           HD2      TYR  17 -10.945  -0.734 -13.961
   99    HE1  TYR  17           HE1      TYR  17  -6.848   0.018 -16.669
  100    HE2  TYR  17           HE2      TYR  17  -9.959  -2.599 -15.264
  101    HH   TYR  17           HH       TYR  17  -8.337  -3.232 -16.633
  102    H    ASP  18           H        ASP  18 -12.758   3.310 -13.917
  103    HA   ASP  18           HA       ASP  18 -12.488   5.134 -11.694
  104   1HB   ASP  18          2HB       ASP  18 -13.485   5.089 -14.326
  105   2HB   ASP  18          1HB       ASP  18 -14.879   5.477 -13.316
  106    H    ALA  19           H        ALA  19 -14.600   2.422 -12.312
  107    HA   ALA  19           HA       ALA  19 -16.659   3.264 -10.394
  108   1HB   ALA  19          1HB       ALA  19 -17.641   1.796 -11.844
  109   2HB   ALA  19          2HB       ALA  19 -16.931   0.551 -10.816
  110   3HB   ALA  19          3HB       ALA  19 -16.096   1.065 -12.282
  111    H    ILE  20           H        ILE  20 -13.820   1.162 -10.491
  112    HA   ILE  20           HA       ILE  20 -14.184   0.126  -7.801
  113    HB   ILE  20           HB       ILE  20 -11.910   0.220  -9.808
  114   1HG1  ILE  20          2HG1      ILE  20 -13.505  -2.184  -8.917
  115   2HG1  ILE  20          1HG1      ILE  20 -14.068  -1.147 -10.228
  116   1HG2  ILE  20          1HG2      ILE  20 -12.037  -1.549  -7.374
  117   2HG2  ILE  20          2HG2      ILE  20 -11.270   0.037  -7.325
  118   3HG2  ILE  20          3HG2      ILE  20 -10.653  -1.208  -8.413
  119   1HD1  ILE  20          1HD1      ILE  20 -12.046  -1.548 -11.501
  120   2HD1  ILE  20          2HD1      ILE  20 -12.700  -3.112 -11.010
  121   3HD1  ILE  20          3HD1      ILE  20 -11.320  -2.423 -10.153
  122    H    PHE  21           H        PHE  21 -12.567   2.793  -9.394
  123    HA   PHE  21           HA       PHE  21 -10.973   3.612  -7.122
  124   1HB   PHE  21          2HB       PHE  21 -10.108   4.418  -9.108
  125   2HB   PHE  21          1HB       PHE  21 -11.700   4.564  -9.849
  126    HD1  PHE  21           HD1      PHE  21  -9.079   6.273  -8.004
  127    HD2  PHE  21           HD2      PHE  21 -13.197   6.479  -9.204
  128    HE1  PHE  21           HE1      PHE  21  -9.112   8.695  -7.472
  129    HE2  PHE  21           HE2      PHE  21 -13.234   8.900  -8.673
  130    HZ   PHE  21           HZ       PHE  21 -11.196  10.007  -7.803
  131    H    ASP  22           H        ASP  22 -14.109   4.513  -8.484
  132    HA   ASP  22           HA       ASP  22 -14.603   6.534  -6.402
  133   1HB   ASP  22          2HB       ASP  22 -15.384   7.001  -8.611
  134   2HB   ASP  22          1HB       ASP  22 -16.125   5.404  -8.760
  135    H    SER  23           H        SER  23 -14.653   3.236  -6.385
  136    HA   SER  23           HA       SER  23 -17.206   2.877  -4.925
  137   1HB   SER  23          2HB       SER  23 -14.992   1.181  -6.031
  138   2HB   SER  23          1HB       SER  23 -16.027   0.498  -4.779
  139    HG   SER  23           HG       SER  23 -16.645   0.327  -7.138
  140    H    LEU  24           H        LEU  24 -13.989   3.726  -4.272
  141    HA   LEU  24           HA       LEU  24 -14.038   2.695  -1.473
  142   1HB   LEU  24          2HB       LEU  24 -11.817   4.269  -2.759
  143   2HB   LEU  24          1HB       LEU  24 -11.706   2.981  -1.562
  144    HG   LEU  24           HG       LEU  24 -12.603   2.567  -4.422
  145   1HD1  LEU  24          1HD1      LEU  24 -10.027   3.157  -3.555
  146   2HD1  LEU  24          2HD1      LEU  24 -10.445   2.337  -5.060
  147   3HD1  LEU  24          3HD1      LEU  24 -10.045   1.396  -3.623
  148   1HD2  LEU  24          1HD2      LEU  24 -12.493   0.246  -3.933
  149   2HD2  LEU  24          2HD2      LEU  24 -13.294   0.952  -2.528
  150   3HD2  LEU  24          3HD2      LEU  24 -11.584   0.523  -2.448
  151    H    SER  25           H        SER  25 -14.619   5.474  -3.358
  152    HA   SER  25           HA       SER  25 -15.550   7.561  -2.634
  153   1HB   SER  25          2HB       SER  25 -15.896   6.218  -0.436
  154   2HB   SER  25          1HB       SER  25 -14.430   7.024   0.107
  155    HG   SER  25           HG       SER  25 -16.843   8.218  -0.797
  156    HA   PRO  26           HA       PRO  26 -11.187   8.818  -3.274
  157   1HB   PRO  26          2HB       PRO  26 -11.767  10.284  -5.504
  158   2HB   PRO  26          1HB       PRO  26 -11.452   8.538  -5.549
  159   1HG   PRO  26          2HG       PRO  26 -14.051   9.992  -5.597
  160   2HG   PRO  26          1HG       PRO  26 -13.544   8.559  -6.505
  161   1HD   PRO  26          2HD       PRO  26 -15.130   8.430  -4.294
  162   2HD   PRO  26          1HD       PRO  26 -14.016   7.129  -4.766
  163    H    VAL  27           H        VAL  27 -10.282  10.873  -2.931
  164    HA   VAL  27           HA       VAL  27 -12.204  13.012  -2.071
  165    HB   VAL  27           HB       VAL  27  -9.405  12.410  -1.057
  166   1HG1  VAL  27          1HG1      VAL  27 -10.689  14.749  -0.875
  167   2HG1  VAL  27          2HG1      VAL  27  -9.711  14.125   0.453
  168   3HG1  VAL  27          3HG1      VAL  27 -11.464  13.929   0.481
  169   1HG2  VAL  27          1HG2      VAL  27 -11.859  11.910   0.576
  170   2HG2  VAL  27          2HG2      VAL  27 -10.299  11.087   0.617
  171   3HG2  VAL  27          3HG2      VAL  27 -11.452  10.729  -0.669
  172    H    ASN  28           H        ASN  28 -12.114  14.667  -3.551
  173    HA   ASN  28           HA       ASN  28 -11.170  16.250  -5.044
  174   1HB   ASN  28          2HB       ASN  28  -9.562  16.280  -3.001
  175   2HB   ASN  28          1HB       ASN  28  -8.493  15.308  -4.011
  176   1HD2  ASN  28          1HD2      ASN  28  -8.357  16.346  -6.415
  177   2HD2  ASN  28          2HD2      ASN  28  -8.068  18.018  -6.429
  178    H    GLY  29           H        GLY  29 -11.170  13.077  -5.345
  179   1HA   GLY  29          2HA       GLY  29 -10.998  11.848  -7.391
  180   2HA   GLY  29          1HA       GLY  29  -9.953  13.117  -8.037
  181    H    PHE  30           H        PHE  30  -9.505  11.592  -4.880
  182    HA   PHE  30           HA       PHE  30  -7.079  10.201  -5.940
  183   1HB   PHE  30          2HB       PHE  30  -7.353  11.942  -3.471
  184   2HB   PHE  30          1HB       PHE  30  -5.897  11.042  -3.912
  185    HD1  PHE  30           HD1      PHE  30  -6.567  14.186  -3.685
  186    HD2  PHE  30           HD2      PHE  30  -6.074  11.379  -6.885
  187    HE1  PHE  30           HE1      PHE  30  -5.881  16.034  -5.190
  188    HE2  PHE  30           HE2      PHE  30  -5.384  13.224  -8.400
  189    HZ   PHE  30           HZ       PHE  30  -5.285  15.554  -7.552
  190    H    LEU  31           H        LEU  31  -6.735   8.212  -5.094
  191    HA   LEU  31           HA       LEU  31  -8.555   7.309  -2.881
  192   1HB   LEU  31          2HB       LEU  31  -7.234   5.949  -5.229
  193   2HB   LEU  31          1HB       LEU  31  -7.748   5.005  -3.830
  194    HG   LEU  31           HG       LEU  31  -9.449   6.615  -5.725
  195   1HD1  LEU  31          1HD1      LEU  31 -10.666   4.243  -5.263
  196   2HD1  LEU  31          2HD1      LEU  31  -8.988   3.789  -4.950
  197   3HD1  LEU  31          3HD1      LEU  31  -9.445   4.467  -6.517
  198   1HD2  LEU  31          1HD2      LEU  31 -10.121   5.608  -2.944
  199   2HD2  LEU  31          2HD2      LEU  31 -11.347   6.005  -4.149
  200   3HD2  LEU  31          3HD2      LEU  31 -10.265   7.260  -3.545
  201    H    SER  32           H        SER  32  -7.570   6.571  -1.024
  202    HA   SER  32           HA       SER  32  -4.678   7.018  -0.791
  203   1HB   SER  32          2HB       SER  32  -5.306   6.264   1.623
  204   2HB   SER  32          1HB       SER  32  -5.961   7.788   1.032
  205    HG   SER  32           HG       SER  32  -7.835   6.924   1.403
  206    H    GLY  33           H        GLY  33  -3.131   5.414  -0.508
  207   1HA   GLY  33          2HA       GLY  33  -3.371   2.907  -1.664
  208   2HA   GLY  33          1HA       GLY  33  -2.269   3.216  -0.320
  209    H    ASP  34           H        ASP  34  -4.611   3.953   1.421
  210    HA   ASP  34           HA       ASP  34  -5.087   1.363   2.586
  211   1HB   ASP  34          2HB       ASP  34  -5.016   3.640   3.700
  212   2HB   ASP  34          1HB       ASP  34  -6.606   3.950   3.002
  213    H    LYS  35           H        LYS  35  -6.780   3.267   0.164
  214    HA   LYS  35           HA       LYS  35  -9.226   1.608   0.386
  215   1HB   LYS  35          2HB       LYS  35  -8.328   4.007  -1.238
  216   2HB   LYS  35          1HB       LYS  35  -9.868   3.202  -1.530
  217   1HG   LYS  35          2HG       LYS  35 -10.128   3.496   1.099
  218   2HG   LYS  35          1HG       LYS  35  -8.991   4.818   0.830
  219   1HD   LYS  35          2HD       LYS  35 -10.645   5.395  -1.162
  220   2HD   LYS  35          1HD       LYS  35 -11.793   4.495  -0.171
  221   1HE   LYS  35          2HE       LYS  35 -10.300   6.286   1.527
  222   2HE   LYS  35          1HE       LYS  35 -10.997   7.197   0.174
  223   1HZ   LYS  35          1HZ       LYS  35 -12.757   7.069   1.655
  224   2HZ   LYS  35          2HZ       LYS  35 -12.366   5.494   2.156
  225   3HZ   LYS  35          3HZ       LYS  35 -13.062   5.754   0.628
  226    H    VAL  36           H        VAL  36  -6.441   2.228  -1.687
  227    HA   VAL  36           HA       VAL  36  -7.287   0.459  -3.844
  228    HB   VAL  36           HB       VAL  36  -4.615   1.598  -3.008
  229   1HG1  VAL  36          1HG1      VAL  36  -5.049   0.967  -5.831
  230   2HG1  VAL  36          2HG1      VAL  36  -5.107  -0.455  -4.788
  231   3HG1  VAL  36          3HG1      VAL  36  -3.678   0.578  -4.788
  232   1HG2  VAL  36          1HG2      VAL  36  -5.084   3.415  -4.430
  233   2HG2  VAL  36          2HG2      VAL  36  -6.628   3.129  -3.627
  234   3HG2  VAL  36          3HG2      VAL  36  -6.364   2.541  -5.271
  235    H    LYS  37           H        LYS  37  -5.087   0.172  -1.061
  236    HA   LYS  37           HA       LYS  37  -3.800  -2.206  -1.481
  237   1HB   LYS  37          2HB       LYS  37  -3.424  -1.030   0.532
  238   2HB   LYS  37          1HB       LYS  37  -5.136  -1.021   0.949
  239   1HG   LYS  37          2HG       LYS  37  -4.979  -3.016   1.997
  240   2HG   LYS  37          1HG       LYS  37  -4.117  -3.734   0.634
  241   1HD   LYS  37          2HD       LYS  37  -2.081  -3.393   1.582
  242   2HD   LYS  37          1HD       LYS  37  -2.523  -1.791   2.172
  243   1HE   LYS  37          2HE       LYS  37  -4.019  -3.865   3.574
  244   2HE   LYS  37          1HE       LYS  37  -2.267  -4.095   3.742
  245   1HZ   LYS  37          1HZ       LYS  37  -2.782  -2.536   5.380
  246   2HZ   LYS  37          2HZ       LYS  37  -3.876  -1.699   4.386
  247   3HZ   LYS  37          3HZ       LYS  37  -2.205  -1.586   4.100
  248    HA   PRO  38           HA       PRO  38  -7.573  -4.817  -0.027
  249   1HB   PRO  38          2HB       PRO  38 -10.005  -3.549   0.002
  250   2HB   PRO  38          1HB       PRO  38  -8.944  -3.647   1.424
  251   1HG   PRO  38          2HG       PRO  38  -9.303  -1.411  -0.520
  252   2HG   PRO  38          1HG       PRO  38  -9.165  -1.354   1.246
  253   1HD   PRO  38          2HD       PRO  38  -7.094  -0.758  -0.357
  254   2HD   PRO  38          1HD       PRO  38  -6.868  -1.569   1.209
  255    H    VAL  39           H        VAL  39  -8.107  -2.239  -2.366
  256    HA   VAL  39           HA       VAL  39  -9.879  -3.614  -4.150
  257    HB   VAL  39           HB       VAL  39  -7.931  -1.320  -4.232
  258   1HG1  VAL  39          1HG1      VAL  39  -9.594  -1.705  -6.651
  259   2HG1  VAL  39          2HG1      VAL  39  -8.199  -2.769  -6.518
  260   3HG1  VAL  39          3HG1      VAL  39  -7.977  -1.023  -6.488
  261   1HG2  VAL  39          1HG2      VAL  39 -10.181  -0.223  -4.965
  262   2HG2  VAL  39          2HG2      VAL  39  -9.982  -0.707  -3.281
  263   3HG2  VAL  39          3HG2      VAL  39 -10.907  -1.722  -4.386
  264    H    LEU  40           H        LEU  40  -6.376  -3.568  -3.739
  265    HA   LEU  40           HA       LEU  40  -5.916  -5.211  -6.149
  266   1HB   LEU  40          2HB       LEU  40  -4.067  -4.221  -3.953
  267   2HB   LEU  40          1HB       LEU  40  -3.590  -4.795  -5.553
  268    HG   LEU  40           HG       LEU  40  -5.502  -2.492  -5.185
  269   1HD1  LEU  40          1HD1      LEU  40  -3.631  -1.568  -4.211
  270   2HD1  LEU  40          2HD1      LEU  40  -3.324  -1.204  -5.909
  271   3HD1  LEU  40          3HD1      LEU  40  -2.512  -2.568  -5.137
  272   1HD2  LEU  40          1HD2      LEU  40  -5.544  -3.569  -7.347
  273   2HD2  LEU  40          2HD2      LEU  40  -3.782  -3.515  -7.445
  274   3HD2  LEU  40          3HD2      LEU  40  -4.715  -2.020  -7.507
  275    H    LEU  41           H        LEU  41  -6.158  -5.591  -2.667
  276    HA   LEU  41           HA       LEU  41  -4.875  -8.163  -2.472
  277   1HB   LEU  41          2HB       LEU  41  -6.891  -6.585  -0.867
  278   2HB   LEU  41          1HB       LEU  41  -6.365  -8.187  -0.355
  279    HG   LEU  41           HG       LEU  41  -4.444  -5.932  -0.967
  280   1HD1  LEU  41          1HD1      LEU  41  -6.047  -5.493   0.975
  281   2HD1  LEU  41          2HD1      LEU  41  -4.329  -5.472   1.378
  282   3HD1  LEU  41          3HD1      LEU  41  -5.310  -6.884   1.772
  283   1HD2  LEU  41          1HD2      LEU  41  -3.536  -7.912   0.907
  284   2HD2  LEU  41          2HD2      LEU  41  -2.881  -7.532  -0.686
  285   3HD2  LEU  41          3HD2      LEU  41  -4.164  -8.732  -0.525
  286    H    ASN  42           H        ASN  42  -7.847  -7.055  -3.782
  287    HA   ASN  42           HA       ASN  42  -9.247  -9.620  -3.426
  288   1HB   ASN  42          2HB       ASN  42  -9.827  -6.842  -4.281
  289   2HB   ASN  42          1HB       ASN  42 -10.812  -8.089  -5.045
  290   1HD2  ASN  42          1HD2      ASN  42 -11.394  -6.012  -2.805
  291   2HD2  ASN  42          2HD2      ASN  42 -12.099  -6.947  -1.575
  292    H    SER  43           H        SER  43  -6.941  -8.462  -5.548
  293    HA   SER  43           HA       SER  43  -8.042  -9.535  -8.047
  294   1HB   SER  43          2HB       SER  43  -5.797  -8.869  -8.878
  295   2HB   SER  43          1HB       SER  43  -6.556  -7.578  -7.949
  296    HG   SER  43           HG       SER  43  -4.931  -7.696  -6.641
  297    H    LYS  44           H        LYS  44  -7.208 -11.182  -5.423
  298    HA   LYS  44           HA       LYS  44  -6.483 -13.409  -5.078
  299   1HB   LYS  44          2HB       LYS  44  -7.615 -13.214  -7.619
  300   2HB   LYS  44          1HB       LYS  44  -6.064 -13.999  -7.914
  301   1HG   LYS  44          2HG       LYS  44  -7.320 -15.103  -5.548
  302   2HG   LYS  44          1HG       LYS  44  -8.409 -15.210  -6.932
  303   1HD   LYS  44          2HD       LYS  44  -5.644 -15.903  -7.610
  304   2HD   LYS  44          1HD       LYS  44  -6.336 -16.966  -6.383
  305   1HE   LYS  44          2HE       LYS  44  -6.784 -17.783  -8.711
  306   2HE   LYS  44          1HE       LYS  44  -8.284 -17.403  -7.841
  307   1HZ   LYS  44          1HZ       LYS  44  -7.673 -16.360 -10.219
  308   2HZ   LYS  44          2HZ       LYS  44  -7.006 -15.176  -9.197
  309   3HZ   LYS  44          3HZ       LYS  44  -8.654 -15.575  -9.080
  310    H    LEU  45           H        LEU  45  -4.631 -10.976  -6.072
  311    HA   LEU  45           HA       LEU  45  -2.195 -12.556  -6.758
  312   1HB   LEU  45          2HB       LEU  45  -3.131  -9.710  -6.958
  313   2HB   LEU  45          1HB       LEU  45  -1.400 -10.048  -6.980
  314    HG   LEU  45           HG       LEU  45  -3.437 -11.321  -8.831
  315   1HD1  LEU  45          1HD1      LEU  45  -2.765  -8.768  -9.018
  316   2HD1  LEU  45          2HD1      LEU  45  -2.832  -9.778 -10.458
  317   3HD1  LEU  45          3HD1      LEU  45  -1.280  -9.428  -9.703
  318   1HD2  LEU  45          1HD2      LEU  45  -1.757 -12.654  -9.584
  319   2HD2  LEU  45          2HD2      LEU  45  -0.955 -12.265  -8.060
  320   3HD2  LEU  45          3HD2      LEU  45  -0.575 -11.347  -9.516
  321    HA   PRO  46           HA       PRO  46  -0.504 -11.931  -2.754
  322   1HB   PRO  46          2HB       PRO  46   2.162 -11.877  -3.356
  323   2HB   PRO  46          1HB       PRO  46   1.197 -13.364  -3.405
  324   1HG   PRO  46          2HG       PRO  46   2.140 -11.651  -5.625
  325   2HG   PRO  46          1HG       PRO  46   1.922 -13.405  -5.562
  326   1HD   PRO  46          2HD       PRO  46   0.170 -11.640  -6.759
  327   2HD   PRO  46          1HD       PRO  46  -0.249 -13.277  -6.219
  328    H    VAL  47           H        VAL  47   1.065 -10.334  -1.602
  329    HA   VAL  47           HA       VAL  47   0.397  -7.624  -2.321
  330    HB   VAL  47           HB       VAL  47   2.052  -9.070  -0.265
  331   1HG1  VAL  47          1HG1      VAL  47   1.834  -6.067  -0.446
  332   2HG1  VAL  47          2HG1      VAL  47   3.271  -6.972  -0.917
  333   3HG1  VAL  47          3HG1      VAL  47   2.722  -7.000   0.757
  334   1HG2  VAL  47          1HG2      VAL  47   0.429  -8.022   1.262
  335   2HG2  VAL  47          2HG2      VAL  47  -0.401  -8.923  -0.007
  336   3HG2  VAL  47          3HG2      VAL  47  -0.299  -7.164  -0.096
  337    H    ASP  48           H        ASP  48   2.672  -9.752  -3.570
  338    HA   ASP  48           HA       ASP  48   4.886  -7.889  -3.908
  339   1HB   ASP  48          2HB       ASP  48   4.914 -10.458  -3.770
  340   2HB   ASP  48          1HB       ASP  48   4.315 -10.441  -5.427
  341    H    ILE  49           H        ILE  49   2.050  -8.922  -5.700
  342    HA   ILE  49           HA       ILE  49   2.861  -7.525  -8.158
  343    HB   ILE  49           HB       ILE  49   0.093  -8.512  -7.459
  344   1HG1  ILE  49          2HG1      ILE  49   1.576 -10.320  -6.770
  345   2HG1  ILE  49          1HG1      ILE  49   0.806 -10.759  -8.292
  346   1HG2  ILE  49          1HG2      ILE  49   1.686  -7.921  -9.900
  347   2HG2  ILE  49          2HG2      ILE  49  -0.030  -7.669  -9.586
  348   3HG2  ILE  49          3HG2      ILE  49   0.565  -9.279  -9.993
  349   1HD1  ILE  49          1HD1      ILE  49   3.562  -9.530  -8.050
  350   2HD1  ILE  49          2HD1      ILE  49   2.790 -10.092  -9.535
  351   3HD1  ILE  49          3HD1      ILE  49   3.242 -11.249  -8.282
  352    H    LEU  50           H        LEU  50   0.628  -7.125  -5.459
  353    HA   LEU  50           HA       LEU  50  -0.564  -4.656  -6.398
  354   1HB   LEU  50          2HB       LEU  50  -0.291  -5.654  -3.555
  355   2HB   LEU  50          1HB       LEU  50  -1.594  -4.686  -4.243
  356    HG   LEU  50           HG       LEU  50  -0.981  -7.598  -4.787
  357   1HD1  LEU  50          1HD1      LEU  50  -2.284  -7.317  -2.802
  358   2HD1  LEU  50          2HD1      LEU  50  -3.414  -7.781  -4.072
  359   3HD1  LEU  50          3HD1      LEU  50  -3.304  -6.096  -3.565
  360   1HD2  LEU  50          1HD2      LEU  50  -1.845  -7.310  -6.849
  361   2HD2  LEU  50          2HD2      LEU  50  -2.171  -5.608  -6.520
  362   3HD2  LEU  50          3HD2      LEU  50  -3.364  -6.834  -6.088
  363    H    GLY  51           H        GLY  51   2.303  -5.556  -4.606
  364   1HA   GLY  51          2HA       GLY  51   2.817  -2.901  -3.521
  365   2HA   GLY  51          1HA       GLY  51   3.969  -4.239  -3.575
  366    H    ARG  52           H        ARG  52   3.428  -4.607  -6.466
  367    HA   ARG  52           HA       ARG  52   5.267  -2.494  -7.461
  368   1HB   ARG  52          2HB       ARG  52   5.165  -5.254  -7.632
  369   2HB   ARG  52          1HB       ARG  52   4.543  -4.736  -9.198
  370   1HG   ARG  52          2HG       ARG  52   6.571  -3.093  -9.176
  371   2HG   ARG  52          1HG       ARG  52   7.223  -4.200  -7.966
  372   1HD   ARG  52          2HD       ARG  52   6.092  -5.513 -10.362
  373   2HD   ARG  52          1HD       ARG  52   7.565  -4.567 -10.642
  374    HE   ARG  52           HE       ARG  52   8.439  -5.859  -8.544
  375   1HH1  ARG  52          1HH2      ARG  52   5.655  -7.375  -9.048
  376   2HH1  ARG  52          2HH2      ARG  52   6.293  -8.886  -9.607
  377   1HH2  ARG  52          2HH1      ARG  52   9.510  -7.665 -10.050
  378   2HH2  ARG  52          1HH1      ARG  52   8.476  -9.050 -10.175
  379    H    VAL  53           H        VAL  53   2.000  -3.761  -7.834
  380    HA   VAL  53           HA       VAL  53   1.519  -2.464 -10.402
  381    HB   VAL  53           HB       VAL  53  -0.144  -3.742  -8.228
  382   1HG1  VAL  53          1HG1      VAL  53  -1.772  -3.327 -10.494
  383   2HG1  VAL  53          2HG1      VAL  53  -1.024  -1.769 -10.155
  384   3HG1  VAL  53          3HG1      VAL  53  -1.959  -2.588  -8.905
  385   1HG2  VAL  53          1HG2      VAL  53  -0.268  -4.552 -11.089
  386   2HG2  VAL  53          2HG2      VAL  53  -0.179  -5.553  -9.638
  387   3HG2  VAL  53          3HG2      VAL  53   1.282  -4.806 -10.283
  388    H    TRP  54           H        TRP  54   1.037  -1.626  -6.994
  389    HA   TRP  54           HA       TRP  54  -0.430   0.816  -7.460
  390   1HB   TRP  54          2HB       TRP  54  -0.533  -0.041  -5.270
  391   2HB   TRP  54          1HB       TRP  54   1.195  -0.403  -5.233
  392    HD1  TRP  54           HD1      TRP  54   2.866   1.758  -5.148
  393    HE1  TRP  54           HE1      TRP  54   2.551   4.048  -4.048
  394    HE3  TRP  54           HE3      TRP  54  -2.187   1.711  -4.498
  395    HZ2  TRP  54           HZ2      TRP  54   0.425   5.655  -2.980
  396    HZ3  TRP  54           HZ3      TRP  54  -3.337   3.635  -3.426
  397    HH2  TRP  54           HH2      TRP  54  -2.034   5.597  -2.665
  398    H    GLU  55           H        GLU  55   3.033   0.125  -6.834
  399    HA   GLU  55           HA       GLU  55   4.025   2.746  -6.883
  400   1HB   GLU  55          2HB       GLU  55   5.135   0.107  -7.839
  401   2HB   GLU  55          1HB       GLU  55   6.112   1.572  -7.734
  402   1HG   GLU  55          2HG       GLU  55   4.579   1.132  -5.305
  403   2HG   GLU  55          1HG       GLU  55   5.629  -0.238  -5.664
  404    H    LEU  56           H        LEU  56   3.921   0.530  -9.703
  405    HA   LEU  56           HA       LEU  56   4.574   2.573 -11.609
  406   1HB   LEU  56          2HB       LEU  56   3.053  -0.047 -11.868
  407   2HB   LEU  56          1HB       LEU  56   3.670   0.881 -13.234
  408    HG   LEU  56           HG       LEU  56   5.654   0.337 -11.114
  409   1HD1  LEU  56          1HD1      LEU  56   5.734  -1.943 -11.234
  410   2HD1  LEU  56          2HD1      LEU  56   5.176  -1.976 -12.907
  411   3HD1  LEU  56          3HD1      LEU  56   4.017  -1.760 -11.596
  412   1HD2  LEU  56          1HD2      LEU  56   5.543   0.909 -13.938
  413   2HD2  LEU  56          2HD2      LEU  56   6.427  -0.597 -13.703
  414   3HD2  LEU  56          3HD2      LEU  56   6.963   0.872 -12.893
  415    H    SER  57           H        SER  57   1.722   1.852  -9.839
  416    HA   SER  57           HA       SER  57  -0.139   3.209 -11.686
  417   1HB   SER  57          2HB       SER  57  -0.901   1.304 -10.388
  418   2HB   SER  57          1HB       SER  57  -0.342   2.043  -8.893
  419    HG   SER  57           HG       SER  57  -2.114   3.485 -10.496
  420    H    ASP  58           H        ASP  58   1.721   3.850  -8.770
  421    HA   ASP  58           HA       ASP  58   0.437   6.338  -8.047
  422   1HB   ASP  58          2HB       ASP  58   2.167   4.584  -6.901
  423   2HB   ASP  58          1HB       ASP  58   3.290   5.848  -7.400
  424    H    ILE  59           H        ILE  59   0.392   7.835  -9.769
  425    HA   ILE  59           HA       ILE  59   2.658   8.249 -11.545
  426    HB   ILE  59           HB       ILE  59   0.150   9.863 -10.973
  427   1HG1  ILE  59          2HG1      ILE  59  -0.250   7.520 -11.705
  428   2HG1  ILE  59          1HG1      ILE  59  -0.757   8.684 -12.929
  429   1HG2  ILE  59          1HG2      ILE  59   2.398  10.620 -12.432
  430   2HG2  ILE  59          2HG2      ILE  59   0.781  11.304 -12.599
  431   3HG2  ILE  59          3HG2      ILE  59   1.297   9.994 -13.660
  432   1HD1  ILE  59          1HD1      ILE  59   0.465   6.997 -14.103
  433   2HD1  ILE  59          2HD1      ILE  59   1.757   7.000 -12.902
  434   3HD1  ILE  59          3HD1      ILE  59   1.551   8.382 -13.981
  435    H    ASP  60           H        ASP  60   1.302  10.052  -8.758
  436    HA   ASP  60           HA       ASP  60   3.673  11.866  -8.868
  437   1HB   ASP  60          2HB       ASP  60   2.269  13.307  -7.432
  438   2HB   ASP  60          1HB       ASP  60   1.408  12.844  -8.900
  439    H    HIS  61           H        HIS  61   2.667   9.079  -7.257
  440    HA   HIS  61           HA       HIS  61   3.502   7.981  -5.346
  441   1HB   HIS  61          2HB       HIS  61   5.561  10.193  -5.633
  442   2HB   HIS  61          1HB       HIS  61   5.748   8.774  -4.608
  443    HD1  HIS  61           HD1      HIS  61   7.873   8.680  -6.503
  444    HD2  HIS  61           HD2      HIS  61   4.058   7.506  -7.692
  445    HE1  HIS  61           HE1      HIS  61   8.178   7.252  -8.571
  446    H    ASP  62           H        ASP  62   1.403   9.820  -4.901
  447    HA   ASP  62           HA       ASP  62   2.187  11.316  -2.444
  448   1HB   ASP  62          2HB       ASP  62  -0.104  12.290  -2.770
  449   2HB   ASP  62          1HB       ASP  62   0.924  12.493  -4.189
  450    H    GLY  63           H        GLY  63   1.877   8.299  -2.711
  451   1HA   GLY  63          2HA       GLY  63   0.945   6.553  -1.448
  452   2HA   GLY  63          1HA       GLY  63   0.584   7.779  -0.230
  453    H    MET  64           H        MET  64  -0.613   7.943  -3.530
  454    HA   MET  64           HA       MET  64  -3.309   7.014  -2.699
  455   1HB   MET  64          2HB       MET  64  -2.649   9.813  -3.667
  456   2HB   MET  64          1HB       MET  64  -4.279   9.179  -3.482
  457   1HG   MET  64          2HG       MET  64  -4.018   8.962  -1.114
  458   2HG   MET  64          1HG       MET  64  -2.291   9.305  -1.213
  459   1HE   MET  64          1HE       MET  64  -4.697  10.683   0.561
  460   2HE   MET  64          2HE       MET  64  -5.780  10.542  -0.822
  461   3HE   MET  64          3HE       MET  64  -5.412  12.132  -0.159
  462    H    LEU  65           H        LEU  65  -4.759   6.824  -4.591
  463    HA   LEU  65           HA       LEU  65  -3.279   6.728  -7.202
  464   1HB   LEU  65          2HB       LEU  65  -5.135   4.813  -5.810
  465   2HB   LEU  65          1HB       LEU  65  -5.058   4.817  -7.572
  466    HG   LEU  65           HG       LEU  65  -2.695   4.470  -5.706
  467   1HD1  LEU  65          1HD1      LEU  65  -3.478   2.346  -5.642
  468   2HD1  LEU  65          2HD1      LEU  65  -2.886   2.233  -7.297
  469   3HD1  LEU  65          3HD1      LEU  65  -4.582   2.613  -6.990
  470   1HD2  LEU  65          1HD2      LEU  65  -1.568   3.846  -7.919
  471   2HD2  LEU  65          2HD2      LEU  65  -1.919   5.559  -7.691
  472   3HD2  LEU  65          3HD2      LEU  65  -2.959   4.575  -8.720
  473    H    ASP  66           H        ASP  66  -4.106   8.623  -8.128
  474    HA   ASP  66           HA       ASP  66  -6.817   9.544  -7.762
  475   1HB   ASP  66          2HB       ASP  66  -5.083  10.201 -10.141
  476   2HB   ASP  66          1HB       ASP  66  -6.167  11.261  -9.245
  477    H    ARG  67           H        ARG  67  -8.498   9.576  -9.424
  478    HA   ARG  67           HA       ARG  67  -9.378   7.233 -10.507
  479   1HB   ARG  67          2HB       ARG  67 -10.396   8.718 -12.322
  480   2HB   ARG  67          1HB       ARG  67 -10.672   9.240 -10.660
  481   1HG   ARG  67          2HG       ARG  67  -8.616  10.715 -10.899
  482   2HG   ARG  67          1HG       ARG  67  -8.643  10.337 -12.622
  483   1HD   ARG  67          2HD       ARG  67 -11.148  11.098 -12.506
  484   2HD   ARG  67          1HD       ARG  67 -10.645  11.908 -11.008
  485    HE   ARG  67           HE       ARG  67  -8.841  12.349 -13.283
  486   1HH1  ARG  67          1HH2      ARG  67  -9.840  14.014 -10.751
  487   2HH1  ARG  67          2HH2      ARG  67 -10.492  15.387 -11.582
  488   1HH2  ARG  67          2HH1      ARG  67 -10.435  13.858 -14.695
  489   2HH2  ARG  67          1HH1      ARG  67 -10.830  15.298 -13.816
  490    H    ASP  68           H        ASP  68  -6.971   9.351 -12.040
  491    HA   ASP  68           HA       ASP  68  -6.706   7.646 -14.404
  492   1HB   ASP  68          2HB       ASP  68  -4.945   9.869 -13.315
  493   2HB   ASP  68          1HB       ASP  68  -4.968   9.274 -14.976
  494    H    GLU  69           H        GLU  69  -4.978   8.113 -11.345
  495    HA   GLU  69           HA       GLU  69  -2.744   6.374 -12.061
  496   1HB   GLU  69          2HB       GLU  69  -3.792   7.249  -9.349
  497   2HB   GLU  69          1HB       GLU  69  -2.156   6.699  -9.714
  498   1HG   GLU  69          2HG       GLU  69  -2.227   8.658 -11.483
  499   2HG   GLU  69          1HG       GLU  69  -3.479   9.293 -10.416
  500    H    PHE  70           H        PHE  70  -5.759   6.044 -10.218
  501    HA   PHE  70           HA       PHE  70  -5.388   3.357  -9.316
  502   1HB   PHE  70          2HB       PHE  70  -7.094   5.169  -8.663
  503   2HB   PHE  70          1HB       PHE  70  -7.987   4.701 -10.107
  504    HD1  PHE  70           HD1      PHE  70  -7.100   3.815  -6.694
  505    HD2  PHE  70           HD2      PHE  70  -8.857   2.356 -10.333
  506    HE1  PHE  70           HE1      PHE  70  -8.121   1.933  -5.446
  507    HE2  PHE  70           HE2      PHE  70  -9.877   0.473  -9.083
  508    HZ   PHE  70           HZ       PHE  70  -9.508   0.265  -6.641
  509    H    ALA  71           H        ALA  71  -6.243   4.744 -12.406
  510    HA   ALA  71           HA       ALA  71  -7.478   2.387 -13.561
  511   1HB   ALA  71          1HB       ALA  71  -6.050   4.740 -14.841
  512   2HB   ALA  71          2HB       ALA  71  -7.741   4.747 -14.338
  513   3HB   ALA  71          3HB       ALA  71  -7.211   3.675 -15.635
  514    H    VAL  72           H        VAL  72  -4.199   3.765 -13.697
  515    HA   VAL  72           HA       VAL  72  -3.078   1.783 -15.426
  516    HB   VAL  72           HB       VAL  72  -1.850   3.514 -13.254
  517   1HG1  VAL  72          1HG1      VAL  72   0.252   3.022 -14.123
  518   2HG1  VAL  72          2HG1      VAL  72  -0.393   2.561 -15.698
  519   3HG1  VAL  72          3HG1      VAL  72  -0.556   1.467 -14.324
  520   1HG2  VAL  72          1HG2      VAL  72  -1.892   4.036 -16.230
  521   2HG2  VAL  72          2HG2      VAL  72  -1.571   5.179 -14.924
  522   3HG2  VAL  72          3HG2      VAL  72  -3.209   4.576 -15.187
  523    H    ALA  73           H        ALA  73  -3.882   1.755 -12.041
  524    HA   ALA  73           HA       ALA  73  -2.168  -0.586 -11.439
  525   1HB   ALA  73          1HB       ALA  73  -3.971  -0.017  -9.346
  526   2HB   ALA  73          2HB       ALA  73  -3.563   1.544 -10.060
  527   3HB   ALA  73          3HB       ALA  73  -2.285   0.490  -9.459
  528    H    MET  74           H        MET  74  -5.207  -0.097 -12.851
  529    HA   MET  74           HA       MET  74  -6.454  -2.496 -11.651
  530   1HB   MET  74          2HB       MET  74  -7.248  -0.547 -13.841
  531   2HB   MET  74          1HB       MET  74  -8.285  -1.854 -13.269
  532   1HG   MET  74          2HG       MET  74  -7.128  -0.063 -11.197
  533   2HG   MET  74          1HG       MET  74  -8.385   0.624 -12.225
  534   1HE   MET  74          1HE       MET  74  -7.230  -1.471  -9.594
  535   2HE   MET  74          2HE       MET  74  -7.761  -2.987 -10.315
  536   3HE   MET  74          3HE       MET  74  -8.594  -2.355  -8.896
  537    H    PHE  75           H        PHE  75  -5.178  -1.473 -14.827
  538    HA   PHE  75           HA       PHE  75  -5.607  -4.104 -16.007
  539   1HB   PHE  75          2HB       PHE  75  -4.786  -3.081 -17.948
  540   2HB   PHE  75          1HB       PHE  75  -5.406  -1.692 -17.061
  541    HD1  PHE  75           HD1      PHE  75  -2.316  -3.644 -17.785
  542    HD2  PHE  75           HD2      PHE  75  -3.966   0.051 -16.353
  543    HE1  PHE  75           HE1      PHE  75  -0.055  -2.627 -17.805
  544    HE2  PHE  75           HE2      PHE  75  -1.711   1.066 -16.376
  545    HZ   PHE  75           HZ       PHE  75   0.250  -0.268 -17.100
  546    H    LEU  76           H        LEU  76  -3.116  -2.468 -14.209
  547    HA   LEU  76           HA       LEU  76  -0.902  -4.213 -14.819
  548   1HB   LEU  76          2HB       LEU  76  -1.683  -2.179 -12.772
  549   2HB   LEU  76          1HB       LEU  76  -0.337  -3.246 -12.378
  550    HG   LEU  76           HG       LEU  76  -0.526  -1.649 -14.942
  551   1HD1  LEU  76          1HD1      LEU  76   1.400  -1.025 -12.731
  552   2HD1  LEU  76          2HD1      LEU  76  -0.257  -0.434 -12.602
  553   3HD1  LEU  76          3HD1      LEU  76   0.743   0.039 -13.975
  554   1HD2  LEU  76          1HD2      LEU  76   2.090  -2.208 -14.569
  555   2HD2  LEU  76          2HD2      LEU  76   1.008  -3.281 -15.456
  556   3HD2  LEU  76          3HD2      LEU  76   1.381  -3.608 -13.763
  557    H    VAL  77           H        VAL  77  -3.651  -4.337 -12.674
  558    HA   VAL  77           HA       VAL  77  -2.631  -6.700 -11.217
  559    HB   VAL  77           HB       VAL  77  -5.034  -4.855 -11.078
  560   1HG1  VAL  77          1HG1      VAL  77  -4.666  -7.588  -9.955
  561   2HG1  VAL  77          2HG1      VAL  77  -6.153  -6.719 -10.339
  562   3HG1  VAL  77          3HG1      VAL  77  -5.285  -6.366  -8.845
  563   1HG2  VAL  77          1HG2      VAL  77  -3.417  -3.793  -9.855
  564   2HG2  VAL  77          2HG2      VAL  77  -2.481  -5.270  -9.623
  565   3HG2  VAL  77          3HG2      VAL  77  -3.890  -4.952  -8.612
  566    H    TYR  78           H        TYR  78  -5.652  -5.871 -12.945
  567    HA   TYR  78           HA       TYR  78  -6.764  -8.383 -13.207
  568   1HB   TYR  78          2HB       TYR  78  -6.770  -5.841 -14.708
  569   2HB   TYR  78          1HB       TYR  78  -7.344  -7.241 -15.617
  570    HD1  TYR  78           HD1      TYR  78  -8.644  -4.634 -13.981
  571    HD2  TYR  78           HD2      TYR  78  -8.629  -8.914 -13.646
  572    HE1  TYR  78           HE1      TYR  78 -10.802  -4.545 -12.763
  573    HE2  TYR  78           HE2      TYR  78 -10.788  -8.826 -12.429
  574    HH   TYR  78           HH       TYR  78 -11.938  -6.555 -10.899
  575    H    CYS  79           H        CYS  79  -3.963  -7.156 -14.946
  576    HA   CYS  79           HA       CYS  79  -4.009  -9.299 -16.942
  577   1HB   CYS  79          2HB       CYS  79  -2.122  -7.082 -16.129
  578   2HB   CYS  79          1HB       CYS  79  -1.692  -8.245 -17.384
  579    HG   CYS  79           HG       CYS  79  -3.209  -5.909 -18.049
  580    H    ALA  80           H        ALA  80  -2.995  -9.020 -13.690
  581    HA   ALA  80           HA       ALA  80  -0.866 -11.048 -13.958
  582   1HB   ALA  80          1HB       ALA  80  -1.901  -9.150 -11.921
  583   2HB   ALA  80          2HB       ALA  80  -0.234  -9.556 -12.325
  584   3HB   ALA  80          3HB       ALA  80  -1.180 -10.635 -11.298
  585    H    LEU  81           H        LEU  81  -4.242 -10.917 -13.519
  586    HA   LEU  81           HA       LEU  81  -4.394 -13.446 -12.010
  587   1HB   LEU  81          2HB       LEU  81  -6.443 -11.560 -13.201
  588   2HB   LEU  81          1HB       LEU  81  -6.869 -13.010 -12.293
  589    HG   LEU  81           HG       LEU  81  -5.367 -12.071 -10.431
  590   1HD1  LEU  81          1HD1      LEU  81  -5.599  -9.740 -12.316
  591   2HD1  LEU  81          2HD1      LEU  81  -4.163 -10.381 -11.525
  592   3HD1  LEU  81          3HD1      LEU  81  -5.359  -9.490 -10.587
  593   1HD2  LEU  81          1HD2      LEU  81  -7.514 -11.855  -9.700
  594   2HD2  LEU  81          2HD2      LEU  81  -8.081 -11.290 -11.271
  595   3HD2  LEU  81          3HD2      LEU  81  -7.333 -10.158 -10.145
  596    H    GLU  82           H        GLU  82  -5.190 -12.183 -15.229
  597    HA   GLU  82           HA       GLU  82  -6.097 -14.744 -16.241
  598   1HB   GLU  82          2HB       GLU  82  -5.137 -12.229 -17.644
  599   2HB   GLU  82          1HB       GLU  82  -6.085 -13.518 -18.384
  600   1HG   GLU  82          2HG       GLU  82  -7.505 -12.831 -16.068
  601   2HG   GLU  82          1HG       GLU  82  -6.985 -11.290 -16.750
  602    H    LYS  83           H        LYS  83  -3.207 -12.790 -16.970
  603    HA   LYS  83           HA       LYS  83  -1.302 -14.904 -16.732
  604   1HB   LYS  83          2HB       LYS  83  -2.676 -15.859 -18.578
  605   2HB   LYS  83          1HB       LYS  83  -2.337 -14.428 -19.550
  606   1HG   LYS  83          2HG       LYS  83  -0.279 -15.177 -20.110
  607   2HG   LYS  83          1HG       LYS  83   0.089 -15.632 -18.446
  608   1HD   LYS  83          2HD       LYS  83  -1.916 -17.414 -19.486
  609   2HD   LYS  83          1HD       LYS  83  -0.555 -17.356 -20.609
  610   1HE   LYS  83          2HE       LYS  83   0.414 -17.462 -17.875
  611   2HE   LYS  83          1HE       LYS  83  -0.671 -18.826 -18.211
  612   1HZ   LYS  83          1HZ       LYS  83   0.573 -18.952 -20.426
  613   2HZ   LYS  83          2HZ       LYS  83   1.371 -19.536 -19.045
  614   3HZ   LYS  83          3HZ       LYS  83   1.766 -18.008 -19.674
  615    H    GLU  84           H        GLU  84  -0.334 -12.804 -15.872
  616    HA   GLU  84           HA       GLU  84   1.561 -11.694 -17.723
  617   1HB   GLU  84          2HB       GLU  84  -1.010 -10.765 -18.100
  618   2HB   GLU  84          1HB       GLU  84  -0.311  -9.521 -17.063
  619   1HG   GLU  84          2HG       GLU  84   1.318  -8.941 -18.622
  620   2HG   GLU  84          1HG       GLU  84   1.270 -10.519 -19.410
  621    HA   PRO  85           HA       PRO  85   2.764 -10.927 -13.435
  622   1HB   PRO  85          2HB       PRO  85   5.429 -10.631 -14.018
  623   2HB   PRO  85          1HB       PRO  85   4.650 -12.214 -13.820
  624   1HG   PRO  85          2HG       PRO  85   5.313 -10.735 -16.326
  625   2HG   PRO  85          1HG       PRO  85   5.496 -12.457 -15.954
  626   1HD   PRO  85          2HD       PRO  85   3.445 -11.516 -17.435
  627   2HD   PRO  85          1HD       PRO  85   3.269 -12.917 -16.353
  628    H    VAL  86           H        VAL  86   3.818  -8.994 -12.415
  629    HA   VAL  86           HA       VAL  86   3.529  -6.578 -14.164
  630    HB   VAL  86           HB       VAL  86   3.155  -7.052 -11.193
  631   1HG1  VAL  86          1HG1      VAL  86   3.726  -4.623 -12.672
  632   2HG1  VAL  86          2HG1      VAL  86   3.556  -4.848 -10.931
  633   3HG1  VAL  86          3HG1      VAL  86   2.132  -4.537 -11.924
  634   1HG2  VAL  86          1HG2      VAL  86   0.895  -5.900 -12.476
  635   2HG2  VAL  86          2HG2      VAL  86   1.037  -7.524 -11.800
  636   3HG2  VAL  86          3HG2      VAL  86   1.436  -7.236 -13.494
  637    HA   PRO  87           HA       PRO  87   7.879  -6.177 -13.162
  638   1HB   PRO  87          2HB       PRO  87   8.432  -4.383 -15.144
  639   2HB   PRO  87          1HB       PRO  87   8.271  -6.124 -15.444
  640   1HG   PRO  87          2HG       PRO  87   6.430  -3.927 -16.102
  641   2HG   PRO  87          1HG       PRO  87   6.604  -5.520 -16.848
  642   1HD   PRO  87          2HD       PRO  87   4.615  -4.695 -15.002
  643   2HD   PRO  87          1HD       PRO  87   4.890  -6.334 -15.630
  644    H    MET  88           H        MET  88   9.211  -3.808 -13.289
  645    HA   MET  88           HA       MET  88   7.596  -1.974 -11.539
  646   1HB   MET  88          2HB       MET  88  10.491  -2.747 -11.769
  647   2HB   MET  88          1HB       MET  88  10.034  -1.225 -11.006
  648   1HG   MET  88          2HG       MET  88   8.440  -2.597  -9.554
  649   2HG   MET  88          1HG       MET  88   9.277  -4.026 -10.163
  650   1HE   MET  88          1HE       MET  88   8.941  -3.706  -7.466
  651   2HE   MET  88          2HE       MET  88   9.287  -2.068  -6.925
  652   3HE   MET  88          3HE       MET  88  10.370  -3.382  -6.476
  653    H    SER  89           H        SER  89   8.106  -2.158 -14.637
  654    HA   SER  89           HA       SER  89   9.484   0.407 -15.051
  655   1HB   SER  89          2HB       SER  89   8.612  -1.926 -16.690
  656   2HB   SER  89          1HB       SER  89   8.868  -0.393 -17.516
  657    HG   SER  89           HG       SER  89  10.813  -1.446 -17.477
  658    H    LEU  90           H        LEU  90   8.423   2.234 -15.058
  659    HA   LEU  90           HA       LEU  90   5.519   2.324 -15.741
  660   1HB   LEU  90          2HB       LEU  90   7.379   3.687 -13.958
  661   2HB   LEU  90          1HB       LEU  90   6.455   4.839 -14.924
  662    HG   LEU  90           HG       LEU  90   5.324   2.603 -13.245
  663   1HD1  LEU  90          1HD1      LEU  90   5.541   5.589 -12.929
  664   2HD1  LEU  90          2HD1      LEU  90   5.894   4.327 -11.748
  665   3HD1  LEU  90          3HD1      LEU  90   4.222   4.711 -12.156
  666   1HD2  LEU  90          1HD2      LEU  90   3.429   4.582 -14.200
  667   2HD2  LEU  90          2HD2      LEU  90   3.385   2.829 -14.385
  668   3HD2  LEU  90          3HD2      LEU  90   4.262   3.818 -15.554
  669    HA   PRO  91           HA       PRO  91   7.780   3.910 -19.514
  670   1HB   PRO  91          2HB       PRO  91   6.050   2.759 -21.314
  671   2HB   PRO  91          1HB       PRO  91   7.485   1.928 -20.675
  672   1HG   PRO  91          2HG       PRO  91   4.636   1.723 -19.794
  673   2HG   PRO  91          1HG       PRO  91   5.828   0.435 -20.052
  674   1HD   PRO  91          2HD       PRO  91   5.254   1.324 -17.590
  675   2HD   PRO  91          1HD       PRO  91   6.909   0.849 -18.042
  676    HA   PRO  92           HA       PRO  92   4.974   7.209 -20.026
  677   1HB   PRO  92          2HB       PRO  92   5.338   7.910 -22.648
  678   2HB   PRO  92          1HB       PRO  92   6.534   8.250 -21.380
  679   1HG   PRO  92          2HG       PRO  92   6.490   6.078 -23.414
  680   2HG   PRO  92          1HG       PRO  92   7.859   7.014 -22.794
  681   1HD   PRO  92          2HD       PRO  92   7.287   4.472 -21.990
  682   2HD   PRO  92          1HD       PRO  92   8.123   5.660 -20.965
  683    H    ALA  93           H        ALA  93   4.511   4.306 -21.622
  684    HA   ALA  93           HA       ALA  93   2.119   5.063 -23.145
  685   1HB   ALA  93          1HB       ALA  93   2.024   2.496 -23.320
  686   2HB   ALA  93          2HB       ALA  93   3.537   2.489 -22.413
  687   3HB   ALA  93          3HB       ALA  93   3.459   3.270 -23.992
  688    H    LEU  94           H        LEU  94   2.640   5.058 -19.954
  689    HA   LEU  94           HA       LEU  94   0.007   3.774 -19.303
  690   1HB   LEU  94          2HB       LEU  94   2.525   4.189 -17.649
  691   2HB   LEU  94          1HB       LEU  94   1.043   3.437 -17.058
  692    HG   LEU  94           HG       LEU  94   2.850   2.438 -19.263
  693   1HD1  LEU  94          1HD1      LEU  94   1.986   1.326 -16.579
  694   2HD1  LEU  94          2HD1      LEU  94   3.591   1.932 -16.994
  695   3HD1  LEU  94          3HD1      LEU  94   2.980   0.461 -17.753
  696   1HD2  LEU  94          1HD2      LEU  94   1.169   0.559 -19.381
  697   2HD2  LEU  94          2HD2      LEU  94   0.570   2.110 -19.965
  698   3HD2  LEU  94          3HD2      LEU  94   0.094   1.531 -18.370
  699    H    VAL  95           H        VAL  95   1.992   6.643 -19.118
  700    HA   VAL  95           HA       VAL  95   0.738   7.980 -16.925
  701    HB   VAL  95           HB       VAL  95   1.695  10.011 -18.162
  702   1HG1  VAL  95          1HG1      VAL  95   3.895   8.049 -18.118
  703   2HG1  VAL  95          2HG1      VAL  95   2.896   8.050 -16.664
  704   3HG1  VAL  95          3HG1      VAL  95   3.691   9.535 -17.188
  705   1HG2  VAL  95          1HG2      VAL  95   2.727   9.758 -20.223
  706   2HG2  VAL  95          2HG2      VAL  95   1.418   8.590 -20.397
  707   3HG2  VAL  95          3HG2      VAL  95   3.039   8.041 -19.972
  708    HA   PRO  96           HA       PRO  96  -3.166   8.994 -18.718
  709   1HB   PRO  96          2HB       PRO  96  -3.834  11.027 -17.002
  710   2HB   PRO  96          1HB       PRO  96  -3.927   9.312 -16.554
  711   1HG   PRO  96          2HG       PRO  96  -1.811  11.319 -15.933
  712   2HG   PRO  96          1HG       PRO  96  -2.502  10.053 -14.905
  713   1HD   PRO  96          2HD       PRO  96  -0.096   9.798 -16.125
  714   2HD   PRO  96          1HD       PRO  96  -1.160   8.410 -15.791
  715    HA   PRO  97           HA       PRO  97  -2.616  12.524 -21.271
  716   1HB   PRO  97          2HB       PRO  97  -4.964  13.926 -21.087
  717   2HB   PRO  97          1HB       PRO  97  -4.815  12.391 -21.967
  718   1HG   PRO  97          2HG       PRO  97  -5.867  12.901 -19.222
  719   2HG   PRO  97          1HG       PRO  97  -6.486  11.822 -20.484
  720   1HD   PRO  97          2HD       PRO  97  -5.044  10.915 -18.390
  721   2HD   PRO  97          1HD       PRO  97  -4.970  10.157 -19.996
  722    H    SER  98           H        SER  98  -3.463  13.124 -17.935
  723    HA   SER  98           HA       SER  98  -3.084  15.982 -17.934
  724   1HB   SER  98          2HB       SER  98  -4.057  14.199 -16.198
  725   2HB   SER  98          1HB       SER  98  -2.410  14.265 -15.578
  726    HG   SER  98           HG       SER  98  -3.688  16.673 -16.174
  727    H    LYS  99           H        LYS  99  -0.895  13.241 -17.756
  728    HA   LYS  99           HA       LYS  99   1.410  14.960 -17.059
  729   1HB   LYS  99          2HB       LYS  99   1.059  12.003 -17.654
  730   2HB   LYS  99          1HB       LYS  99   2.576  12.736 -17.132
  731   1HG   LYS  99          2HG       LYS  99   0.250  13.424 -15.455
  732   2HG   LYS  99          1HG       LYS  99   0.694  11.717 -15.424
  733   1HD   LYS  99          2HD       LYS  99   2.663  13.982 -14.997
  734   2HD   LYS  99          1HD       LYS  99   1.875  13.103 -13.686
  735   1HE   LYS  99          2HE       LYS  99   2.994  11.086 -14.199
  736   2HE   LYS  99          1HE       LYS  99   3.395  11.623 -15.841
  737   1HZ   LYS  99          1HZ       LYS  99   5.207  12.657 -15.105
  738   2HZ   LYS  99          2HZ       LYS  99   4.967  11.914 -13.597
  739   3HZ   LYS  99          3HZ       LYS  99   4.345  13.467 -13.889
  740    H    ARG 100           H        ARG 100  -0.278  14.719 -19.779
  741    HA   ARG 100           HA       ARG 100   2.066  14.311 -21.595
  742   1HB   ARG 100          2HB       ARG 100  -0.929  14.391 -22.079
  743   2HB   ARG 100          1HB       ARG 100   0.288  14.023 -23.303
  744   1HG   ARG 100          2HG       ARG 100   1.083  12.200 -21.613
  745   2HG   ARG 100          1HG       ARG 100  -0.517  12.404 -20.901
  746   1HD   ARG 100          2HD       ARG 100  -1.591  11.846 -23.017
  747   2HD   ARG 100          1HD       ARG 100  -0.015  11.772 -23.829
  748    HE   ARG 100           HE       ARG 100  -0.513  10.014 -21.473
  749   1HH1  ARG 100          1HH2      ARG 100   1.352  10.488 -24.191
  750   2HH1  ARG 100          2HH2      ARG 100   1.259   8.858 -24.771
  751   1HH2  ARG 100          2HH1      ARG 100  -1.162   7.900 -22.482
  752   2HH2  ARG 100          1HH1      ARG 100  -0.163   7.392 -23.802
  753    H    SER 107           1H       SER 107   8.952   1.888   2.231
  754    HA   SER 107           HA       SER 107   8.004   3.358   3.746
  755   1HB   SER 107          2HB       SER 107   8.871   4.473   1.109
  756   2HB   SER 107          1HB       SER 107   8.251   5.600   2.311
  757    HG   SER 107           HG       SER 107  10.499   3.911   2.405
  758    H    THR 108           H        THR 108   6.368   3.651   0.577
  759    HA   THR 108           HA       THR 108   3.951   4.680   2.030
  760    HB   THR 108           HB       THR 108   3.504   5.976   0.074
  761    HG1  THR 108           HG1      THR 108   4.040   5.265  -1.813
  762   1HG2  THR 108          1HG2      THR 108   5.316   6.931   1.365
  763   2HG2  THR 108          2HG2      THR 108   5.686   7.147  -0.345
  764   3HG2  THR 108          3HG2      THR 108   6.489   5.876   0.576
  765    H    ASN 109           H        ASN 109   5.028   2.634  -0.698
  766    HA   ASN 109           HA       ASN 109   2.671   1.557  -1.653
  767   1HB   ASN 109          2HB       ASN 109   5.053   1.053  -2.296
  768   2HB   ASN 109          1HB       ASN 109   5.162  -0.005  -0.886
  769   1HD2  ASN 109          1HD2      ASN 109   3.327   0.467  -3.927
  770   2HD2  ASN 109          2HD2      ASN 109   2.917  -1.166  -4.122
  771    HA   PRO 110           HA       PRO 110   0.996   0.047   2.244
  772   1HB   PRO 110          2HB       PRO 110  -1.492  -0.509   1.246
  773   2HB   PRO 110          1HB       PRO 110  -0.970   1.125   1.705
  774   1HG   PRO 110          2HG       PRO 110  -1.132  -0.122  -0.989
  775   2HG   PRO 110          1HG       PRO 110  -1.524   1.527  -0.484
  776   1HD   PRO 110          2HD       PRO 110   0.791   0.870  -1.755
  777   2HD   PRO 110          1HD       PRO 110   0.651   2.231  -0.623
  778    H    PHE 111           H        PHE 111   1.892  -1.660  -0.489
  779    HA   PHE 111           HA       PHE 111   0.733  -4.233   0.518
  780   1HB   PHE 111          2HB       PHE 111   2.241  -3.893  -2.062
  781   2HB   PHE 111          1HB       PHE 111   0.953  -5.035  -1.688
  782    HD1  PHE 111           HD1      PHE 111   1.688  -1.448  -2.317
  783    HD2  PHE 111           HD2      PHE 111  -1.362  -4.474  -2.096
  784    HE1  PHE 111           HE1      PHE 111   0.046   0.137  -3.261
  785    HE2  PHE 111           HE2      PHE 111  -2.996  -2.876  -3.028
  786    HZ   PHE 111           HZ       PHE 111  -2.294  -0.571  -3.610
  787    H    ARG 112           HN       ARG 112   3.784  -3.081  -0.943
  788    HA   ARG 112           HA       ARG 112   5.423  -5.204  -0.023
  789   1HB   ARG 112          2HB       ARG 112   5.818  -2.341  -0.847
  790   2HB   ARG 112          1HB       ARG 112   7.197  -3.279  -0.269
  791   1HG   ARG 112          2HG       ARG 112   6.274  -5.086  -1.968
  792   2HG   ARG 112          1HG       ARG 112   5.535  -3.678  -2.729
  793   1HD   ARG 112          2HD       ARG 112   7.518  -3.116  -3.654
  794   2HD   ARG 112          1HD       ARG 112   8.268  -3.057  -2.046
  795    HE   ARG 112           HE       ARG 112   8.412  -5.623  -2.271
  796   1HH1  ARG 112          1HH2      ARG 112  10.550  -4.206  -3.817
  797   2HH1  ARG 112          2HH2      ARG 112  10.414  -4.937  -5.382
  798   1HH2  ARG 112          1HH1      ARG 112   7.259  -6.252  -4.786
  799   2HH2  ARG 112          2HH1      ARG 112   8.549  -6.095  -5.931
  Start of MODEL    8
    1    HA   PRO   6           HA       PRO   6  -1.521   6.738 -27.203
    2   1HB   PRO   6          2HB       PRO   6  -2.961   4.414 -27.111
    3   2HB   PRO   6          1HB       PRO   6  -2.725   5.345 -28.604
    4   1HG   PRO   6          2HG       PRO   6  -1.355   2.874 -27.678
    5   2HG   PRO   6          1HG       PRO   6  -1.847   3.351 -29.309
    6   1HD   PRO   6          2HD       PRO   6   0.721   3.521 -28.368
    7   2HD   PRO   6          1HD       PRO   6   0.071   4.528 -29.679
    8    H    TRP   7           H        TRP   7  -3.080   5.614 -25.321
    9    HA   TRP   7           HA       TRP   7  -1.240   5.249 -23.025
   10   1HB   TRP   7          2HB       TRP   7  -3.114   6.897 -23.047
   11   2HB   TRP   7          1HB       TRP   7  -4.255   5.561 -23.198
   12    HD1  TRP   7           HD1      TRP   7  -1.335   4.743 -21.065
   13    HE1  TRP   7           HE1      TRP   7  -2.005   4.765 -18.575
   14    HE3  TRP   7           HE3      TRP   7  -5.933   6.926 -21.421
   15    HZ2  TRP   7           HZ2      TRP   7  -4.213   5.603 -16.949
   16    HZ3  TRP   7           HZ3      TRP   7  -7.299   7.326 -19.392
   17    HH2  TRP   7           HH2      TRP   7  -6.445   6.668 -17.159
   18    H    ALA   8           H        ALA   8  -0.859   3.235 -22.203
   19    HA   ALA   8           HA       ALA   8  -1.688   0.799 -23.267
   20   1HB   ALA   8          1HB       ALA   8  -1.243   1.332 -20.320
   21   2HB   ALA   8          2HB       ALA   8   0.071   1.371 -21.496
   22   3HB   ALA   8          3HB       ALA   8  -0.826  -0.122 -21.226
   23    H    VAL   9           H        VAL   9  -3.434   2.927 -21.093
   24    HA   VAL   9           HA       VAL   9  -5.522   0.879 -20.583
   25    HB   VAL   9           HB       VAL   9  -4.926   3.680 -19.608
   26   1HG1  VAL   9          1HG1      VAL   9  -7.384   3.377 -19.845
   27   2HG1  VAL   9          2HG1      VAL   9  -6.893   3.485 -18.155
   28   3HG1  VAL   9          3HG1      VAL   9  -7.280   1.917 -18.863
   29   1HG2  VAL   9          1HG2      VAL   9  -4.901   2.344 -17.403
   30   2HG2  VAL   9          2HG2      VAL   9  -3.565   2.059 -18.519
   31   3HG2  VAL   9          3HG2      VAL   9  -4.890   0.900 -18.417
   32    H    LYS  10           H        LYS  10  -7.693   1.182 -21.261
   33    HA   LYS  10           HA       LYS  10  -8.022   2.996 -23.613
   34   1HB   LYS  10          2HB       LYS  10  -9.734   0.677 -22.674
   35   2HB   LYS  10          1HB       LYS  10  -9.685   1.381 -24.287
   36   1HG   LYS  10          2HG       LYS  10  -7.023   0.653 -23.643
   37   2HG   LYS  10          1HG       LYS  10  -8.047  -0.717 -23.205
   38   1HD   LYS  10          2HD       LYS  10  -8.361   0.696 -25.854
   39   2HD   LYS  10          1HD       LYS  10  -7.195  -0.611 -25.640
   40   1HE   LYS  10          2HE       LYS  10  -9.842  -1.266 -24.546
   41   2HE   LYS  10          1HE       LYS  10  -9.857  -0.978 -26.298
   42   1HZ   LYS  10          1HZ       LYS  10  -9.187  -3.182 -26.137
   43   2HZ   LYS  10          2HZ       LYS  10  -8.233  -2.905 -24.758
   44   3HZ   LYS  10          3HZ       LYS  10  -7.712  -2.357 -26.279
   45    HA   PRO  11           HA       PRO  11 -11.040   5.463 -21.574
   46   1HB   PRO  11          2HB       PRO  11 -13.159   5.525 -23.317
   47   2HB   PRO  11          1HB       PRO  11 -11.650   6.420 -23.589
   48   1HG   PRO  11          2HG       PRO  11 -12.532   3.807 -24.724
   49   2HG   PRO  11          1HG       PRO  11 -11.711   5.160 -25.519
   50   1HD   PRO  11          2HD       PRO  11 -10.393   2.947 -24.741
   51   2HD   PRO  11          1HD       PRO  11  -9.637   4.553 -24.712
   52    H    GLU  12           H        GLU  12 -12.251   2.405 -22.881
   53    HA   GLU  12           HA       GLU  12 -14.580   2.276 -21.140
   54   1HB   GLU  12          2HB       GLU  12 -14.673  -0.038 -22.030
   55   2HB   GLU  12          1HB       GLU  12 -14.399   1.132 -23.320
   56   1HG   GLU  12          2HG       GLU  12 -11.887   0.249 -22.154
   57   2HG   GLU  12          1HG       GLU  12 -12.828  -1.116 -22.753
   58    H    ASP  13           H        ASP  13 -11.201   1.382 -20.865
   59    HA   ASP  13           HA       ASP  13 -11.595  -0.364 -18.537
   60   1HB   ASP  13          2HB       ASP  13  -9.507   0.439 -20.399
   61   2HB   ASP  13          1HB       ASP  13  -8.916   0.490 -18.738
   62    H    LYS  14           H        LYS  14 -10.513   2.940 -19.219
   63    HA   LYS  14           HA       LYS  14  -9.915   3.640 -16.484
   64   1HB   LYS  14          2HB       LYS  14  -9.487   4.720 -18.943
   65   2HB   LYS  14          1HB       LYS  14 -10.847   5.704 -18.404
   66   1HG   LYS  14          2HG       LYS  14  -8.596   5.234 -16.489
   67   2HG   LYS  14          1HG       LYS  14  -8.351   6.390 -17.800
   68   1HD   LYS  14          2HD       LYS  14 -10.779   7.204 -16.987
   69   2HD   LYS  14          1HD       LYS  14 -10.191   6.539 -15.463
   70   1HE   LYS  14          2HE       LYS  14  -8.523   8.128 -15.256
   71   2HE   LYS  14          1HE       LYS  14  -8.334   8.305 -17.012
   72   1HZ   LYS  14          1HZ       LYS  14 -10.759   9.134 -15.513
   73   2HZ   LYS  14          2HZ       LYS  14 -10.418   9.426 -17.151
   74   3HZ   LYS  14          3HZ       LYS  14  -9.509  10.199 -15.942
   75    H    ALA  15           H        ALA  15 -12.812   3.095 -18.197
   76    HA   ALA  15           HA       ALA  15 -14.521   4.924 -16.660
   77   1HB   ALA  15          1HB       ALA  15 -15.882   4.437 -18.407
   78   2HB   ALA  15          2HB       ALA  15 -15.877   2.727 -17.971
   79   3HB   ALA  15          3HB       ALA  15 -14.625   3.370 -19.033
   80    H    LYS  16           H        LYS  16 -13.491   1.573 -16.599
   81    HA   LYS  16           HA       LYS  16 -15.316   0.829 -14.396
   82   1HB   LYS  16          2HB       LYS  16 -12.936  -0.811 -15.182
   83   2HB   LYS  16          1HB       LYS  16 -14.595  -1.331 -14.878
   84   1HG   LYS  16          2HG       LYS  16 -15.125   0.037 -17.045
   85   2HG   LYS  16          1HG       LYS  16 -13.403  -0.154 -17.362
   86   1HD   LYS  16          2HD       LYS  16 -15.181  -2.503 -16.669
   87   2HD   LYS  16          1HD       LYS  16 -14.928  -1.975 -18.333
   88   1HE   LYS  16          2HE       LYS  16 -12.672  -2.588 -18.325
   89   2HE   LYS  16          1HE       LYS  16 -12.542  -2.462 -16.560
   90   1HZ   LYS  16          1HZ       LYS  16 -12.741  -4.793 -17.533
   91   2HZ   LYS  16          2HZ       LYS  16 -14.363  -4.403 -17.853
   92   3HZ   LYS  16          3HZ       LYS  16 -13.786  -4.401 -16.255
   93    H    TYR  17           H        TYR  17 -11.946   1.607 -15.022
   94    HA   TYR  17           HA       TYR  17 -10.909   1.151 -12.381
   95   1HB   TYR  17          2HB       TYR  17 -10.134   3.109 -14.576
   96   2HB   TYR  17          1HB       TYR  17  -9.115   2.670 -13.211
   97    HD1  TYR  17           HD1      TYR  17 -10.965  -0.197 -14.069
   98    HD2  TYR  17           HD2      TYR  17  -7.656   2.191 -15.411
   99    HE1  TYR  17           HE1      TYR  17 -10.093  -2.126 -15.358
  100    HE2  TYR  17           HE2      TYR  17  -6.772   0.259 -16.692
  101    HH   TYR  17           HH       TYR  17  -8.214  -2.940 -16.404
  102    H    ASP  18           H        ASP  18 -12.841   3.605 -13.892
  103    HA   ASP  18           HA       ASP  18 -12.370   5.620 -11.779
  104   1HB   ASP  18          2HB       ASP  18 -12.714   6.451 -13.982
  105   2HB   ASP  18          1HB       ASP  18 -14.081   5.371 -14.261
  106    H    ALA  19           H        ALA  19 -14.623   3.033 -12.484
  107    HA   ALA  19           HA       ALA  19 -16.691   4.024 -10.640
  108   1HB   ALA  19          1HB       ALA  19 -16.445   2.143 -12.724
  109   2HB   ALA  19          2HB       ALA  19 -17.884   2.447 -11.751
  110   3HB   ALA  19          3HB       ALA  19 -16.746   1.186 -11.274
  111    H    ILE  20           H        ILE  20 -13.963   1.813 -10.640
  112    HA   ILE  20           HA       ILE  20 -14.483   0.735  -7.980
  113    HB   ILE  20           HB       ILE  20 -12.172   0.724  -9.947
  114   1HG1  ILE  20          2HG1      ILE  20 -13.767  -1.683  -9.154
  115   2HG1  ILE  20          1HG1      ILE  20 -14.499  -0.523 -10.263
  116   1HG2  ILE  20          1HG2      ILE  20 -11.243  -1.096  -8.541
  117   2HG2  ILE  20          2HG2      ILE  20 -12.504  -0.787  -7.348
  118   3HG2  ILE  20          3HG2      ILE  20 -11.295   0.449  -7.694
  119   1HD1  ILE  20          1HD1      ILE  20 -12.402  -0.679 -11.670
  120   2HD1  ILE  20          2HD1      ILE  20 -13.350  -2.166 -11.605
  121   3HD1  ILE  20          3HD1      ILE  20 -11.885  -2.008 -10.634
  122    H    PHE  21           H        PHE  21 -12.626   3.305  -9.491
  123    HA   PHE  21           HA       PHE  21 -11.054   4.005  -7.165
  124   1HB   PHE  21          2HB       PHE  21 -10.091   4.781  -9.113
  125   2HB   PHE  21          1HB       PHE  21 -11.650   5.008  -9.899
  126    HD1  PHE  21           HD1      PHE  21  -8.983   6.595  -8.031
  127    HD2  PHE  21           HD2      PHE  21 -13.077   6.992  -9.270
  128    HE1  PHE  21           HE1      PHE  21  -8.898   9.024  -7.538
  129    HE2  PHE  21           HE2      PHE  21 -12.993   9.419  -8.776
  130    HZ   PHE  21           HZ       PHE  21 -10.906  10.435  -7.909
  131    H    ASP  22           H        ASP  22 -14.073   5.122  -8.613
  132    HA   ASP  22           HA       ASP  22 -14.533   7.149  -6.532
  133   1HB   ASP  22          2HB       ASP  22 -15.195   7.639  -8.787
  134   2HB   ASP  22          1HB       ASP  22 -16.041   6.097  -8.940
  135    H    SER  23           H        SER  23 -14.781   3.845  -6.589
  136    HA   SER  23           HA       SER  23 -17.366   3.660  -5.141
  137   1HB   SER  23          2HB       SER  23 -17.200   1.815  -6.504
  138   2HB   SER  23          1HB       SER  23 -15.441   1.880  -6.538
  139    HG   SER  23           HG       SER  23 -16.887   1.154  -4.219
  140    H    LEU  24           H        LEU  24 -14.166   4.339  -4.460
  141    HA   LEU  24           HA       LEU  24 -14.251   3.121  -1.728
  142   1HB   LEU  24          2HB       LEU  24 -11.847   4.516  -2.796
  143   2HB   LEU  24          1HB       LEU  24 -11.947   3.016  -1.882
  144    HG   LEU  24           HG       LEU  24 -12.636   3.370  -4.808
  145   1HD1  LEU  24          1HD1      LEU  24 -10.529   2.611  -5.297
  146   2HD1  LEU  24          2HD1      LEU  24 -10.514   1.507  -3.922
  147   3HD1  LEU  24          3HD1      LEU  24 -10.146   3.211  -3.683
  148   1HD2  LEU  24          1HD2      LEU  24 -12.775   1.030  -2.905
  149   2HD2  LEU  24          2HD2      LEU  24 -12.623   0.792  -4.645
  150   3HD2  LEU  24          3HD2      LEU  24 -14.027   1.631  -3.989
  151    H    SER  25           H        SER  25 -14.801   5.971  -3.422
  152    HA   SER  25           HA       SER  25 -15.437   8.105  -2.566
  153   1HB   SER  25          2HB       SER  25 -15.659   8.351  -0.277
  154   2HB   SER  25          1HB       SER  25 -15.535   6.597  -0.344
  155    HG   SER  25           HG       SER  25 -13.430   6.724   0.257
  156    HA   PRO  26           HA       PRO  26 -11.140   9.118  -3.620
  157   1HB   PRO  26          2HB       PRO  26 -11.818  11.016  -5.463
  158   2HB   PRO  26          1HB       PRO  26 -11.764   9.283  -5.839
  159   1HG   PRO  26          2HG       PRO  26 -14.103  11.020  -5.249
  160   2HG   PRO  26          1HG       PRO  26 -13.942   9.700  -6.418
  161   1HD   PRO  26          2HD       PRO  26 -15.199   9.445  -4.005
  162   2HD   PRO  26          1HD       PRO  26 -14.426   8.093  -4.862
  163    H    VAL  27           H        VAL  27  -9.924  10.938  -3.026
  164    HA   VAL  27           HA       VAL  27 -11.409  13.104  -1.577
  165    HB   VAL  27           HB       VAL  27  -8.650  11.916  -1.111
  166   1HG1  VAL  27          1HG1      VAL  27  -9.455  14.411  -0.434
  167   2HG1  VAL  27          2HG1      VAL  27  -8.342  13.460   0.550
  168   3HG1  VAL  27          3HG1      VAL  27 -10.057  13.513   0.960
  169   1HG2  VAL  27          1HG2      VAL  27 -10.663  11.620   0.993
  170   2HG2  VAL  27          2HG2      VAL  27  -9.611  10.400   0.273
  171   3HG2  VAL  27          3HG2      VAL  27 -11.138  10.820  -0.505
  172    H    ASN  28           H        ASN  28 -11.414  14.733  -3.147
  173    HA   ASN  28           HA       ASN  28 -10.491  16.455  -4.482
  174   1HB   ASN  28          2HB       ASN  28  -8.881  16.390  -2.470
  175   2HB   ASN  28          1HB       ASN  28  -7.807  15.454  -3.510
  176   1HD2  ASN  28          1HD2      ASN  28  -7.523  16.562  -5.815
  177   2HD2  ASN  28          2HD2      ASN  28  -7.275  18.243  -5.783
  178    H    GLY  29           H        GLY  29 -10.458  13.332  -5.086
  179   1HA   GLY  29          2HA       GLY  29 -10.338  12.446  -7.343
  180   2HA   GLY  29          1HA       GLY  29  -9.116  13.662  -7.719
  181    H    PHE  30           H        PHE  30  -9.054  11.713  -4.787
  182    HA   PHE  30           HA       PHE  30  -6.837  10.071  -5.927
  183   1HB   PHE  30          2HB       PHE  30  -6.780  11.866  -3.494
  184   2HB   PHE  30          1HB       PHE  30  -5.551  10.635  -3.811
  185    HD1  PHE  30           HD1      PHE  30  -6.814  13.925  -4.683
  186    HD2  PHE  30           HD2      PHE  30  -4.194  10.755  -5.912
  187    HE1  PHE  30           HE1      PHE  30  -5.663  15.481  -6.222
  188    HE2  PHE  30           HE2      PHE  30  -3.030  12.316  -7.456
  189    HZ   PHE  30           HZ       PHE  30  -3.766  14.682  -7.610
  190    H    LEU  31           H        LEU  31  -6.412   8.157  -4.771
  191    HA   LEU  31           HA       LEU  31  -8.469   7.396  -2.722
  192   1HB   LEU  31          2HB       LEU  31  -7.178   5.888  -5.003
  193   2HB   LEU  31          1HB       LEU  31  -7.909   5.034  -3.645
  194    HG   LEU  31           HG       LEU  31  -9.257   6.886  -5.605
  195   1HD1  LEU  31          1HD1      LEU  31  -9.115   3.997  -5.007
  196   2HD1  LEU  31          2HD1      LEU  31  -9.478   4.811  -6.532
  197   3HD1  LEU  31          3HD1      LEU  31 -10.741   4.613  -5.313
  198   1HD2  LEU  31          1HD2      LEU  31 -10.174   5.862  -2.908
  199   2HD2  LEU  31          2HD2      LEU  31 -11.315   6.351  -4.162
  200   3HD2  LEU  31          3HD2      LEU  31 -10.182   7.527  -3.493
  201    H    SER  32           H        SER  32  -7.589   6.595  -0.829
  202    HA   SER  32           HA       SER  32  -4.698   6.843  -0.492
  203   1HB   SER  32          2HB       SER  32  -5.360   6.128   1.866
  204   2HB   SER  32          1HB       SER  32  -6.150   7.587   1.272
  205    HG   SER  32           HG       SER  32  -7.318   5.463   2.181
  206    H    GLY  33           H        GLY  33  -3.232   5.166  -0.229
  207   1HA   GLY  33          2HA       GLY  33  -3.492   2.735  -1.518
  208   2HA   GLY  33          1HA       GLY  33  -2.473   2.918  -0.087
  209    H    ASP  34           H        ASP  34  -4.859   3.652   1.559
  210    HA   ASP  34           HA       ASP  34  -5.529   1.048   2.557
  211   1HB   ASP  34          2HB       ASP  34  -5.573   2.902   4.036
  212   2HB   ASP  34          1HB       ASP  34  -6.560   3.860   2.931
  213    H    LYS  35           H        LYS  35  -7.034   3.139   0.140
  214    HA   LYS  35           HA       LYS  35  -9.486   1.478   0.077
  215   1HB   LYS  35          2HB       LYS  35  -8.515   3.921  -1.449
  216   2HB   LYS  35          1HB       LYS  35 -10.115   3.203  -1.638
  217   1HG   LYS  35          2HG       LYS  35 -10.626   3.634   0.712
  218   2HG   LYS  35          1HG       LYS  35  -8.996   4.258   0.976
  219   1HD   LYS  35          2HD       LYS  35  -9.389   6.132  -0.481
  220   2HD   LYS  35          1HD       LYS  35 -10.918   5.451  -1.036
  221   1HE   LYS  35          2HE       LYS  35 -11.603   7.042   0.576
  222   2HE   LYS  35          1HE       LYS  35 -11.575   5.534   1.511
  223   1HZ   LYS  35          1HZ       LYS  35  -9.035   6.231   1.696
  224   2HZ   LYS  35          2HZ       LYS  35 -10.200   6.746   2.820
  225   3HZ   LYS  35          3HZ       LYS  35  -9.712   7.779   1.562
  226    H    VAL  36           H        VAL  36  -6.543   2.184  -1.715
  227    HA   VAL  36           HA       VAL  36  -7.289   0.531  -4.030
  228    HB   VAL  36           HB       VAL  36  -4.684   1.772  -3.098
  229   1HG1  VAL  36          1HG1      VAL  36  -4.675  -0.138  -4.850
  230   2HG1  VAL  36          2HG1      VAL  36  -3.824   1.356  -5.247
  231   3HG1  VAL  36          3HG1      VAL  36  -5.422   1.044  -5.926
  232   1HG2  VAL  36          1HG2      VAL  36  -5.317   3.723  -4.152
  233   2HG2  VAL  36          2HG2      VAL  36  -6.912   3.144  -3.669
  234   3HG2  VAL  36          3HG2      VAL  36  -6.341   2.884  -5.318
  235    H    LYS  37           H        LYS  37  -5.003   0.266  -1.286
  236    HA   LYS  37           HA       LYS  37  -3.694  -2.096  -1.835
  237   1HB   LYS  37          2HB       LYS  37  -3.240  -0.853   0.158
  238   2HB   LYS  37          1HB       LYS  37  -4.894  -1.046   0.734
  239   1HG   LYS  37          2HG       LYS  37  -4.507  -3.146   1.534
  240   2HG   LYS  37          1HG       LYS  37  -3.478  -3.577   0.167
  241   1HD   LYS  37          2HD       LYS  37  -1.581  -2.968   1.248
  242   2HD   LYS  37          1HD       LYS  37  -2.323  -1.514   1.919
  243   1HE   LYS  37          2HE       LYS  37  -2.749  -2.550   3.896
  244   2HE   LYS  37          1HE       LYS  37  -3.443  -3.963   3.078
  245   1HZ   LYS  37          1HZ       LYS  37  -1.316  -4.423   4.268
  246   2HZ   LYS  37          2HZ       LYS  37  -0.533  -3.382   3.179
  247   3HZ   LYS  37          3HZ       LYS  37  -1.280  -4.801   2.616
  248    HA   PRO  38           HA       PRO  38  -7.364  -4.723  -0.152
  249   1HB   PRO  38          2HB       PRO  38  -9.811  -3.475  -0.089
  250   2HB   PRO  38          1HB       PRO  38  -8.720  -3.547   1.311
  251   1HG   PRO  38          2HG       PRO  38  -9.137  -1.339  -0.652
  252   2HG   PRO  38          1HG       PRO  38  -8.961  -1.261   1.111
  253   1HD   PRO  38          2HD       PRO  38  -6.931  -0.663  -0.537
  254   2HD   PRO  38          1HD       PRO  38  -6.662  -1.467   1.026
  255    H    VAL  39           H        VAL  39  -7.998  -2.176  -2.509
  256    HA   VAL  39           HA       VAL  39  -9.732  -3.656  -4.260
  257    HB   VAL  39           HB       VAL  39  -7.994  -1.225  -4.292
  258   1HG1  VAL  39          1HG1      VAL  39  -7.330  -1.725  -6.434
  259   2HG1  VAL  39          2HG1      VAL  39  -8.916  -1.052  -6.808
  260   3HG1  VAL  39          3HG1      VAL  39  -8.698  -2.800  -6.723
  261   1HG2  VAL  39          1HG2      VAL  39 -10.700  -1.337  -5.512
  262   2HG2  VAL  39          2HG2      VAL  39 -10.000  -0.143  -4.422
  263   3HG2  VAL  39          3HG2      VAL  39 -10.606  -1.668  -3.781
  264    H    LEU  40           H        LEU  40  -6.215  -3.302  -3.993
  265    HA   LEU  40           HA       LEU  40  -5.663  -4.986  -6.330
  266   1HB   LEU  40          2HB       LEU  40  -3.907  -3.963  -4.075
  267   2HB   LEU  40          1HB       LEU  40  -3.354  -4.538  -5.648
  268    HG   LEU  40           HG       LEU  40  -5.228  -2.194  -5.263
  269   1HD1  LEU  40          1HD1      LEU  40  -2.252  -2.412  -5.387
  270   2HD1  LEU  40          2HD1      LEU  40  -3.268  -1.285  -4.492
  271   3HD1  LEU  40          3HD1      LEU  40  -3.017  -1.057  -6.220
  272   1HD2  LEU  40          1HD2      LEU  40  -5.357  -3.477  -7.404
  273   2HD2  LEU  40          2HD2      LEU  40  -3.647  -3.127  -7.666
  274   3HD2  LEU  40          3HD2      LEU  40  -4.819  -1.810  -7.618
  275    H    LEU  41           H        LEU  41  -5.914  -5.302  -2.844
  276    HA   LEU  41           HA       LEU  41  -4.689  -7.920  -2.655
  277   1HB   LEU  41          2HB       LEU  41  -6.459  -6.178  -0.935
  278   2HB   LEU  41          1HB       LEU  41  -5.979  -7.794  -0.415
  279    HG   LEU  41           HG       LEU  41  -3.969  -5.728  -1.320
  280   1HD1  LEU  41          1HD1      LEU  41  -5.258  -4.878   0.633
  281   2HD1  LEU  41          2HD1      LEU  41  -3.583  -5.235   1.051
  282   3HD1  LEU  41          3HD1      LEU  41  -4.864  -6.355   1.510
  283   1HD2  LEU  41          1HD2      LEU  41  -3.841  -8.480  -0.759
  284   2HD2  LEU  41          2HD2      LEU  41  -3.159  -7.688   0.663
  285   3HD2  LEU  41          3HD2      LEU  41  -2.476  -7.376  -0.934
  286    H    ASN  42           H        ASN  42  -7.695  -6.724  -3.776
  287    HA   ASN  42           HA       ASN  42  -9.205  -9.173  -3.167
  288   1HB   ASN  42          2HB       ASN  42  -9.675  -6.424  -4.090
  289   2HB   ASN  42          1HB       ASN  42 -10.691  -7.611  -4.906
  290   1HD2  ASN  42          1HD2      ASN  42  -9.806  -6.366  -1.673
  291   2HD2  ASN  42          2HD2      ASN  42 -11.203  -6.936  -0.895
  292    H    SER  43           H        SER  43  -7.048  -8.127  -5.559
  293    HA   SER  43           HA       SER  43  -8.271  -9.462  -7.859
  294   1HB   SER  43          2HB       SER  43  -6.478  -8.515  -8.996
  295   2HB   SER  43          1HB       SER  43  -6.561  -7.449  -7.596
  296    HG   SER  43           HG       SER  43  -4.636  -8.113  -7.119
  297    H    LYS  44           H        LYS  44  -7.147 -10.793  -5.127
  298    HA   LYS  44           HA       LYS  44  -6.413 -12.983  -4.622
  299   1HB   LYS  44          2HB       LYS  44  -7.712 -13.077  -7.069
  300   2HB   LYS  44          1HB       LYS  44  -6.150 -13.817  -7.425
  301   1HG   LYS  44          2HG       LYS  44  -6.630 -15.665  -6.214
  302   2HG   LYS  44          1HG       LYS  44  -7.274 -14.714  -4.874
  303   1HD   LYS  44          2HD       LYS  44  -9.191 -15.812  -5.609
  304   2HD   LYS  44          1HD       LYS  44  -9.289 -14.303  -6.518
  305   1HE   LYS  44          2HE       LYS  44  -8.226 -15.400  -8.468
  306   2HE   LYS  44          1HE       LYS  44  -8.140 -16.921  -7.558
  307   1HZ   LYS  44          1HZ       LYS  44 -10.255 -17.314  -8.051
  308   2HZ   LYS  44          2HZ       LYS  44 -10.337 -15.875  -8.949
  309   3HZ   LYS  44          3HZ       LYS  44 -10.729 -15.870  -7.297
  310    H    LEU  45           H        LEU  45  -4.649 -10.632  -5.864
  311    HA   LEU  45           HA       LEU  45  -2.252 -12.235  -6.610
  312   1HB   LEU  45          2HB       LEU  45  -3.176  -9.384  -6.818
  313   2HB   LEU  45          1HB       LEU  45  -1.452  -9.735  -6.915
  314    HG   LEU  45           HG       LEU  45  -3.574 -11.037  -8.644
  315   1HD1  LEU  45          1HD1      LEU  45  -3.124  -9.477 -10.289
  316   2HD1  LEU  45          2HD1      LEU  45  -1.486  -9.187  -9.712
  317   3HD1  LEU  45          3HD1      LEU  45  -2.857  -8.466  -8.870
  318   1HD2  LEU  45          1HD2      LEU  45  -1.080 -11.981  -7.973
  319   2HD2  LEU  45          2HD2      LEU  45  -0.723 -11.043  -9.423
  320   3HD2  LEU  45          3HD2      LEU  45  -1.907 -12.348  -9.489
  321    HA   PRO  46           HA       PRO  46  -0.477 -11.609  -2.651
  322   1HB   PRO  46          2HB       PRO  46   2.173 -11.777  -3.305
  323   2HB   PRO  46          1HB       PRO  46   1.100 -13.187  -3.261
  324   1HG   PRO  46          2HG       PRO  46   2.108 -11.653  -5.583
  325   2HG   PRO  46          1HG       PRO  46   1.779 -13.383  -5.425
  326   1HD   PRO  46          2HD       PRO  46   0.117 -11.585  -6.679
  327   2HD   PRO  46          1HD       PRO  46  -0.402 -13.148  -6.020
  328    H    VAL  47           H        VAL  47   1.230 -10.062  -1.595
  329    HA   VAL  47           HA       VAL  47   0.677  -7.360  -2.423
  330    HB   VAL  47           HB       VAL  47   1.967  -8.872  -0.276
  331   1HG1  VAL  47          1HG1      VAL  47   3.136  -6.178  -1.014
  332   2HG1  VAL  47          2HG1      VAL  47   3.994  -7.717  -0.990
  333   3HG1  VAL  47          3HG1      VAL  47   3.411  -7.013   0.517
  334   1HG2  VAL  47          1HG2      VAL  47   0.033  -7.833   0.393
  335   2HG2  VAL  47          2HG2      VAL  47   0.291  -6.439  -0.657
  336   3HG2  VAL  47          3HG2      VAL  47   1.188  -6.583   0.855
  337    H    ASP  48           H        ASP  48   2.827  -9.664  -3.622
  338    HA   ASP  48           HA       ASP  48   5.075  -7.910  -4.186
  339   1HB   ASP  48          2HB       ASP  48   5.107 -10.431  -3.909
  340   2HB   ASP  48          1HB       ASP  48   4.281 -10.546  -5.462
  341    H    ILE  49           H        ILE  49   2.115  -8.912  -5.780
  342    HA   ILE  49           HA       ILE  49   2.853  -7.643  -8.329
  343    HB   ILE  49           HB       ILE  49   0.108  -8.555  -7.473
  344   1HG1  ILE  49          2HG1      ILE  49   1.578 -10.362  -6.790
  345   2HG1  ILE  49          1HG1      ILE  49   0.773 -10.836  -8.285
  346   1HG2  ILE  49          1HG2      ILE  49   1.583  -8.022  -9.986
  347   2HG2  ILE  49          2HG2      ILE  49  -0.130  -7.822  -9.620
  348   3HG2  ILE  49          3HG2      ILE  49   0.509  -9.421 -10.007
  349   1HD1  ILE  49          1HD1      ILE  49   2.761 -10.101  -9.570
  350   2HD1  ILE  49          2HD1      ILE  49   3.156 -11.373  -8.413
  351   3HD1  ILE  49          3HD1      ILE  49   3.571  -9.695  -8.055
  352    H    LEU  50           H        LEU  50   0.707  -7.105  -5.584
  353    HA   LEU  50           HA       LEU  50  -0.404  -4.605  -6.567
  354   1HB   LEU  50          2HB       LEU  50  -0.189  -5.567  -3.711
  355   2HB   LEU  50          1HB       LEU  50  -1.460  -4.580  -4.429
  356    HG   LEU  50           HG       LEU  50  -0.901  -7.505  -4.991
  357   1HD1  LEU  50          1HD1      LEU  50  -2.099  -7.209  -2.936
  358   2HD1  LEU  50          2HD1      LEU  50  -3.268  -7.711  -4.158
  359   3HD1  LEU  50          3HD1      LEU  50  -3.176  -6.018  -3.670
  360   1HD2  LEU  50          1HD2      LEU  50  -1.929  -7.238  -6.976
  361   2HD2  LEU  50          2HD2      LEU  50  -2.040  -5.502  -6.683
  362   3HD2  LEU  50          3HD2      LEU  50  -3.338  -6.570  -6.152
  363    H    GLY  51           H        GLY  51   2.378  -5.625  -4.689
  364   1HA   GLY  51          2HA       GLY  51   3.053  -3.010  -3.645
  365   2HA   GLY  51          1HA       GLY  51   4.165  -4.379  -3.776
  366    H    ARG  52           H        ARG  52   3.357  -4.636  -6.648
  367    HA   ARG  52           HA       ARG  52   5.223  -2.591  -7.733
  368   1HB   ARG  52          2HB       ARG  52   4.838  -5.374  -8.031
  369   2HB   ARG  52          1HB       ARG  52   4.335  -4.650  -9.557
  370   1HG   ARG  52          2HG       ARG  52   6.500  -3.343  -9.543
  371   2HG   ARG  52          1HG       ARG  52   7.006  -4.330  -8.170
  372   1HD   ARG  52          2HD       ARG  52   5.952  -5.882 -10.452
  373   2HD   ARG  52          1HD       ARG  52   7.468  -5.022 -10.779
  374    HE   ARG  52           HE       ARG  52   7.690  -6.209  -8.209
  375   1HH1  ARG  52          1HH2      ARG  52   8.644  -6.589 -11.377
  376   2HH1  ARG  52          2HH2      ARG  52   8.954  -8.290 -11.279
  377   1HH2  ARG  52          2HH1      ARG  52   7.546  -8.637  -8.131
  378   2HH2  ARG  52          1HH1      ARG  52   8.333  -9.449  -9.443
  379    H    VAL  53           H        VAL  53   1.953  -3.965  -8.155
  380    HA   VAL  53           HA       VAL  53   1.267  -2.429 -10.482
  381    HB   VAL  53           HB       VAL  53  -0.253  -3.783  -8.252
  382   1HG1  VAL  53          1HG1      VAL  53  -2.084  -2.570  -8.765
  383   2HG1  VAL  53          2HG1      VAL  53  -2.026  -3.273 -10.382
  384   3HG1  VAL  53          3HG1      VAL  53  -1.226  -1.734 -10.058
  385   1HG2  VAL  53          1HG2      VAL  53  -0.370  -5.543  -9.713
  386   2HG2  VAL  53          2HG2      VAL  53   1.033  -4.765 -10.446
  387   3HG2  VAL  53          3HG2      VAL  53  -0.578  -4.493 -11.119
  388    H    TRP  54           H        TRP  54   0.955  -1.754  -6.989
  389    HA   TRP  54           HA       TRP  54  -0.458   0.741  -7.312
  390   1HB   TRP  54          2HB       TRP  54  -0.520  -0.208  -5.150
  391   2HB   TRP  54          1HB       TRP  54   1.210  -0.564  -5.159
  392    HD1  TRP  54           HD1      TRP  54   2.883   1.590  -5.015
  393    HE1  TRP  54           HE1      TRP  54   2.576   3.848  -3.836
  394    HE3  TRP  54           HE3      TRP  54  -2.182   1.556  -4.348
  395    HZ2  TRP  54           HZ2      TRP  54   0.467   5.435  -2.723
  396    HZ3  TRP  54           HZ3      TRP  54  -3.309   3.461  -3.220
  397    HH2  TRP  54           HH2      TRP  54  -1.995   5.386  -2.413
  398    H    GLU  55           H        GLU  55   3.020   0.015  -6.721
  399    HA   GLU  55           HA       GLU  55   3.982   2.658  -6.793
  400   1HB   GLU  55          2HB       GLU  55   5.215   0.092  -7.837
  401   2HB   GLU  55          1HB       GLU  55   6.111   1.564  -7.447
  402   1HG   GLU  55          2HG       GLU  55   5.270   1.436  -5.120
  403   2HG   GLU  55          1HG       GLU  55   4.448  -0.071  -5.518
  404    H    LEU  56           H        LEU  56   3.847   0.390  -9.556
  405    HA   LEU  56           HA       LEU  56   4.508   2.331 -11.552
  406   1HB   LEU  56          2HB       LEU  56   2.796  -0.177 -11.713
  407   2HB   LEU  56          1HB       LEU  56   3.590   0.614 -13.074
  408    HG   LEU  56           HG       LEU  56   5.337  -0.094 -10.773
  409   1HD1  LEU  56          1HD1      LEU  56   3.612  -2.029 -11.340
  410   2HD1  LEU  56          2HD1      LEU  56   5.318  -2.396 -11.081
  411   3HD1  LEU  56          3HD1      LEU  56   4.677  -2.269 -12.721
  412   1HD2  LEU  56          1HD2      LEU  56   5.516   0.504 -13.591
  413   2HD2  LEU  56          2HD2      LEU  56   6.298  -1.039 -13.269
  414   3HD2  LEU  56          3HD2      LEU  56   6.820   0.411 -12.411
  415    H    SER  57           H        SER  57   1.692   1.860  -9.650
  416    HA   SER  57           HA       SER  57  -0.140   3.241 -11.537
  417   1HB   SER  57          2HB       SER  57  -0.353   1.855  -8.867
  418   2HB   SER  57          1HB       SER  57  -1.692   2.801  -9.511
  419    HG   SER  57           HG       SER  57  -0.622   0.381 -10.353
  420    H    ASP  58           H        ASP  58   1.576   3.743  -8.484
  421    HA   ASP  58           HA       ASP  58   0.336   6.228  -7.725
  422   1HB   ASP  58          2HB       ASP  58   2.203   4.389  -6.744
  423   2HB   ASP  58          1HB       ASP  58   3.117   5.887  -6.928
  424    H    ILE  59           H        ILE  59   0.476   7.018 -10.147
  425    HA   ILE  59           HA       ILE  59   2.823   7.802 -11.453
  426    HB   ILE  59           HB       ILE  59   0.161   9.233 -11.170
  427   1HG1  ILE  59          2HG1      ILE  59  -0.116   6.947 -11.950
  428   2HG1  ILE  59          1HG1      ILE  59  -0.321   8.032 -13.325
  429   1HG2  ILE  59          1HG2      ILE  59   2.534  10.080 -12.455
  430   2HG2  ILE  59          2HG2      ILE  59   0.922  10.780 -12.613
  431   3HG2  ILE  59          3HG2      ILE  59   1.451   9.524 -13.733
  432   1HD1  ILE  59          1HD1      ILE  59   2.074   7.657 -13.928
  433   2HD1  ILE  59          2HD1      ILE  59   1.117   6.177 -13.986
  434   3HD1  ILE  59          3HD1      ILE  59   2.187   6.482 -12.618
  435    H    ASP  60           H        ASP  60   1.265   9.277  -8.653
  436    HA   ASP  60           HA       ASP  60   3.307  11.459  -8.667
  437   1HB   ASP  60          2HB       ASP  60   1.403  12.648  -8.349
  438   2HB   ASP  60          1HB       ASP  60   0.471  11.185  -8.055
  439    H    HIS  61           H        HIS  61   2.423   8.533  -7.110
  440    HA   HIS  61           HA       HIS  61   3.339   7.401  -5.255
  441   1HB   HIS  61          2HB       HIS  61   5.448   9.468  -5.916
  442   2HB   HIS  61          1HB       HIS  61   5.703   8.179  -4.742
  443    HD1  HIS  61           HD1      HIS  61   5.424   5.672  -5.702
  444    HD2  HIS  61           HD2      HIS  61   5.790   8.680  -8.566
  445    HE1  HIS  61           HE1      HIS  61   6.018   4.520  -7.878
  446    H    ASP  62           H        ASP  62   1.410   9.357  -4.512
  447    HA   ASP  62           HA       ASP  62   2.653  10.656  -2.114
  448   1HB   ASP  62          2HB       ASP  62   0.843  12.208  -2.246
  449   2HB   ASP  62          1HB       ASP  62   1.339  11.943  -3.916
  450    H    GLY  63           H        GLY  63   1.880   7.766  -2.410
  451   1HA   GLY  63          2HA       GLY  63   0.891   6.140  -1.036
  452   2HA   GLY  63          1HA       GLY  63   0.577   7.427   0.133
  453    H    MET  64           H        MET  64  -0.549   7.729  -3.143
  454    HA   MET  64           HA       MET  64  -3.282   6.821  -2.444
  455   1HB   MET  64          2HB       MET  64  -2.518   9.660  -3.188
  456   2HB   MET  64          1HB       MET  64  -4.173   9.065  -3.119
  457   1HG   MET  64          2HG       MET  64  -3.978   8.607  -0.762
  458   2HG   MET  64          1HG       MET  64  -2.260   9.002  -0.781
  459   1HE   MET  64          1HE       MET  64  -5.427  11.559   0.526
  460   2HE   MET  64          2HE       MET  64  -5.134   9.821   0.531
  461   3HE   MET  64          3HE       MET  64  -5.979  10.562  -0.825
  462    H    LEU  65           H        LEU  65  -4.685   6.798  -4.399
  463    HA   LEU  65           HA       LEU  65  -3.094   6.787  -6.943
  464   1HB   LEU  65          2HB       LEU  65  -5.026   4.882  -5.688
  465   2HB   LEU  65          1HB       LEU  65  -5.067   5.032  -7.444
  466    HG   LEU  65           HG       LEU  65  -2.709   4.237  -5.720
  467   1HD1  LEU  65          1HD1      LEU  65  -4.629   2.642  -6.623
  468   2HD1  LEU  65          2HD1      LEU  65  -2.940   2.135  -6.673
  469   3HD1  LEU  65          3HD1      LEU  65  -3.715   2.763  -8.126
  470   1HD2  LEU  65          1HD2      LEU  65  -2.859   5.163  -8.585
  471   2HD2  LEU  65          2HD2      LEU  65  -1.623   4.010  -8.081
  472   3HD2  LEU  65          3HD2      LEU  65  -1.692   5.609  -7.340
  473    H    ASP  66           H        ASP  66  -3.777   8.615  -8.043
  474    HA   ASP  66           HA       ASP  66  -6.360   9.847  -7.695
  475   1HB   ASP  66          2HB       ASP  66  -4.044  10.700  -8.609
  476   2HB   ASP  66          1HB       ASP  66  -4.678  10.138 -10.153
  477    H    ARG  67           H        ARG  67  -7.973  10.052  -9.476
  478    HA   ARG  67           HA       ARG  67  -9.062   7.634 -10.362
  479   1HB   ARG  67          2HB       ARG  67 -10.107   9.169 -12.153
  480   2HB   ARG  67          1HB       ARG  67 -10.347   9.629 -10.468
  481   1HG   ARG  67          2HG       ARG  67  -8.926  11.437 -10.613
  482   2HG   ARG  67          1HG       ARG  67  -7.923  10.681 -11.850
  483   1HD   ARG  67          2HD       ARG  67  -9.263  11.415 -13.577
  484   2HD   ARG  67          1HD       ARG  67 -10.743  11.315 -12.605
  485    HE   ARG  67           HE       ARG  67  -8.697  13.413 -12.017
  486   1HH1  ARG  67          1HH2      ARG  67 -11.184  13.292 -10.389
  487   2HH1  ARG  67          2HH2      ARG  67 -12.209  14.440 -11.183
  488   1HH2  ARG  67          2HH1      ARG  67 -10.322  14.504 -14.095
  489   2HH2  ARG  67          1HH1      ARG  67 -11.720  15.126 -13.284
  490    H    ASP  68           H        ASP  68  -6.490   9.542 -11.835
  491    HA   ASP  68           HA       ASP  68  -6.461   7.905 -14.292
  492   1HB   ASP  68          2HB       ASP  68  -5.972  10.412 -14.073
  493   2HB   ASP  68          1HB       ASP  68  -4.453   9.950 -13.305
  494    H    GLU  69           H        GLU  69  -4.676   8.252 -11.271
  495    HA   GLU  69           HA       GLU  69  -2.527   6.417 -12.017
  496   1HB   GLU  69          2HB       GLU  69  -3.503   7.282  -9.276
  497   2HB   GLU  69          1HB       GLU  69  -1.887   6.715  -9.694
  498   1HG   GLU  69          2HG       GLU  69  -1.606   8.665 -11.194
  499   2HG   GLU  69          1HG       GLU  69  -3.195   9.247 -10.711
  500    H    PHE  70           H        PHE  70  -5.510   6.260 -10.085
  501    HA   PHE  70           HA       PHE  70  -5.353   3.576  -9.207
  502   1HB   PHE  70          2HB       PHE  70  -7.055   5.476  -8.734
  503   2HB   PHE  70          1HB       PHE  70  -7.855   4.957 -10.217
  504    HD1  PHE  70           HD1      PHE  70  -7.096   4.104  -6.731
  505    HD2  PHE  70           HD2      PHE  70  -8.866   2.714 -10.390
  506    HE1  PHE  70           HE1      PHE  70  -8.215   2.273  -5.492
  507    HE2  PHE  70           HE2      PHE  70  -9.986   0.882  -9.149
  508    HZ   PHE  70           HZ       PHE  70  -9.659   0.662  -6.701
  509    H    ALA  71           H        ALA  71  -6.244   4.992 -12.310
  510    HA   ALA  71           HA       ALA  71  -7.343   2.710 -13.609
  511   1HB   ALA  71          1HB       ALA  71  -7.176   4.066 -15.487
  512   2HB   ALA  71          2HB       ALA  71  -5.563   4.636 -15.050
  513   3HB   ALA  71          3HB       ALA  71  -6.984   5.280 -14.223
  514    H    VAL  72           H        VAL  72  -4.013   3.951 -13.816
  515    HA   VAL  72           HA       VAL  72  -2.845   1.863 -15.275
  516    HB   VAL  72           HB       VAL  72  -1.709   3.467 -12.963
  517   1HG1  VAL  72          1HG1      VAL  72  -0.438   2.034 -15.304
  518   2HG1  VAL  72          2HG1      VAL  72  -0.117   1.792 -13.590
  519   3HG1  VAL  72          3HG1      VAL  72   0.406   3.279 -14.385
  520   1HG2  VAL  72          1HG2      VAL  72  -0.956   4.807 -15.181
  521   2HG2  VAL  72          2HG2      VAL  72  -2.456   5.162 -14.324
  522   3HG2  VAL  72          3HG2      VAL  72  -2.483   4.139 -15.761
  523    H    ALA  73           H        ALA  73  -3.937   1.884 -11.960
  524    HA   ALA  73           HA       ALA  73  -2.401  -0.525 -11.207
  525   1HB   ALA  73          1HB       ALA  73  -3.103   1.604  -9.839
  526   2HB   ALA  73          2HB       ALA  73  -3.124   0.020  -9.055
  527   3HB   ALA  73          3HB       ALA  73  -4.630   0.733  -9.637
  528    H    MET  74           H        MET  74  -5.419   0.074 -12.756
  529    HA   MET  74           HA       MET  74  -6.671  -2.358 -11.625
  530   1HB   MET  74          2HB       MET  74  -7.665  -0.670 -13.924
  531   2HB   MET  74          1HB       MET  74  -8.614  -1.631 -12.799
  532   1HG   MET  74          2HG       MET  74  -7.357   1.057 -12.409
  533   2HG   MET  74          1HG       MET  74  -8.960   0.506 -11.957
  534   1HE   MET  74          1HE       MET  74  -7.551  -2.368  -9.584
  535   2HE   MET  74          2HE       MET  74  -8.574  -2.032 -10.978
  536   3HE   MET  74          3HE       MET  74  -9.058  -1.468  -9.381
  537    H    PHE  75           H        PHE  75  -5.433  -1.261 -14.792
  538    HA   PHE  75           HA       PHE  75  -5.929  -3.859 -16.018
  539   1HB   PHE  75          2HB       PHE  75  -5.236  -2.780 -17.956
  540   2HB   PHE  75          1HB       PHE  75  -5.677  -1.380 -16.983
  541    HD1  PHE  75           HD1      PHE  75  -2.995  -3.157 -18.642
  542    HD2  PHE  75           HD2      PHE  75  -3.878  -0.141 -15.717
  543    HE1  PHE  75           HE1      PHE  75  -0.670  -2.312 -18.814
  544    HE2  PHE  75           HE2      PHE  75  -1.559   0.700 -15.890
  545    HZ   PHE  75           HZ       PHE  75   0.050  -0.383 -17.436
  546    H    LEU  76           H        LEU  76  -3.485  -2.426 -14.059
  547    HA   LEU  76           HA       LEU  76  -1.315  -4.226 -14.841
  548   1HB   LEU  76          2HB       LEU  76  -1.838  -1.986 -12.985
  549   2HB   LEU  76          1HB       LEU  76  -0.657  -3.161 -12.405
  550    HG   LEU  76           HG       LEU  76  -0.556  -1.879 -15.148
  551   1HD1  LEU  76          1HD1      LEU  76  -0.158  -0.475 -12.900
  552   2HD1  LEU  76          2HD1      LEU  76   0.841  -0.236 -14.335
  553   3HD1  LEU  76          3HD1      LEU  76   1.426  -1.243 -13.009
  554   1HD2  LEU  76          1HD2      LEU  76   1.941  -2.865 -14.118
  555   2HD2  LEU  76          2HD2      LEU  76   1.064  -3.388 -15.557
  556   3HD2  LEU  76          3HD2      LEU  76   0.729  -4.141 -13.998
  557    H    VAL  77           H        VAL  77  -3.967  -4.207 -12.578
  558    HA   VAL  77           HA       VAL  77  -2.904  -6.507 -11.045
  559    HB   VAL  77           HB       VAL  77  -5.299  -4.661 -10.914
  560   1HG1  VAL  77          1HG1      VAL  77  -6.130  -6.918 -10.386
  561   2HG1  VAL  77          2HG1      VAL  77  -6.042  -5.949  -8.917
  562   3HG1  VAL  77          3HG1      VAL  77  -4.802  -7.158  -9.251
  563   1HG2  VAL  77          1HG2      VAL  77  -3.881  -3.579  -9.528
  564   2HG2  VAL  77          2HG2      VAL  77  -2.694  -4.876  -9.668
  565   3HG2  VAL  77          3HG2      VAL  77  -3.958  -4.966  -8.441
  566    H    TYR  78           H        TYR  78  -5.580  -5.728 -13.269
  567    HA   TYR  78           HA       TYR  78  -6.781  -8.339 -13.245
  568   1HB   TYR  78          2HB       TYR  78  -6.927  -5.799 -14.721
  569   2HB   TYR  78          1HB       TYR  78  -7.345  -7.205 -15.701
  570    HD1  TYR  78           HD1      TYR  78  -8.679  -4.788 -13.581
  571    HD2  TYR  78           HD2      TYR  78  -8.832  -9.017 -14.318
  572    HE1  TYR  78           HE1      TYR  78 -10.895  -4.901 -12.473
  573    HE2  TYR  78           HE2      TYR  78 -11.049  -9.127 -13.209
  574    HH   TYR  78           HH       TYR  78 -12.408  -7.931 -11.708
  575    H    CYS  79           H        CYS  79  -4.027  -6.987 -14.935
  576    HA   CYS  79           HA       CYS  79  -3.893  -9.095 -16.960
  577   1HB   CYS  79          2HB       CYS  79  -2.451  -6.642 -16.132
  578   2HB   CYS  79          1HB       CYS  79  -1.451  -7.870 -16.905
  579    HG   CYS  79           HG       CYS  79  -2.520  -6.378 -18.788
  580    H    ALA  80           H        ALA  80  -2.994  -8.751 -13.675
  581    HA   ALA  80           HA       ALA  80  -0.811 -10.732 -13.797
  582   1HB   ALA  80          1HB       ALA  80  -0.378  -9.119 -12.181
  583   2HB   ALA  80          2HB       ALA  80  -1.207 -10.317 -11.186
  584   3HB   ALA  80          3HB       ALA  80  -2.087  -8.914 -11.792
  585    H    LEU  81           H        LEU  81  -4.187 -10.703 -13.622
  586    HA   LEU  81           HA       LEU  81  -4.434 -13.173 -12.015
  587   1HB   LEU  81          2HB       LEU  81  -6.576 -11.729 -13.582
  588   2HB   LEU  81          1HB       LEU  81  -6.761 -12.678 -12.108
  589    HG   LEU  81           HG       LEU  81  -5.619  -9.913 -12.441
  590   1HD1  LEU  81          1HD1      LEU  81  -7.751 -11.228 -10.759
  591   2HD1  LEU  81          2HD1      LEU  81  -7.923  -9.893 -11.898
  592   3HD1  LEU  81          3HD1      LEU  81  -7.108  -9.636 -10.356
  593   1HD2  LEU  81          1HD2      LEU  81  -3.911 -10.917 -11.139
  594   2HD2  LEU  81          2HD2      LEU  81  -5.059 -11.936 -10.272
  595   3HD2  LEU  81          3HD2      LEU  81  -4.995 -10.205  -9.943
  596    H    GLU  82           H        GLU  82  -4.911 -12.047 -15.345
  597    HA   GLU  82           HA       GLU  82  -5.786 -14.590 -16.387
  598   1HB   GLU  82          2HB       GLU  82  -4.739 -11.984 -17.461
  599   2HB   GLU  82          1HB       GLU  82  -4.957 -13.348 -18.557
  600   1HG   GLU  82          2HG       GLU  82  -7.153 -12.436 -16.694
  601   2HG   GLU  82          1HG       GLU  82  -6.953 -11.749 -18.305
  602    H    LYS  83           H        LYS  83  -2.672 -12.864 -16.602
  603    HA   LYS  83           HA       LYS  83  -1.038 -15.151 -16.127
  604   1HB   LYS  83          2HB       LYS  83  -2.006 -16.074 -18.126
  605   2HB   LYS  83          1HB       LYS  83  -1.765 -14.567 -19.008
  606   1HG   LYS  83          2HG       LYS  83   0.750 -14.907 -18.536
  607   2HG   LYS  83          1HG       LYS  83   0.314 -16.560 -18.106
  608   1HD   LYS  83          2HD       LYS  83  -0.819 -15.563 -20.657
  609   2HD   LYS  83          1HD       LYS  83   0.930 -15.792 -20.635
  610   1HE   LYS  83          2HE       LYS  83  -0.122 -18.065 -19.340
  611   2HE   LYS  83          1HE       LYS  83  -1.146 -17.807 -20.766
  612   1HZ   LYS  83          1HZ       LYS  83   0.871 -19.073 -21.306
  613   2HZ   LYS  83          2HZ       LYS  83   1.827 -17.773 -20.771
  614   3HZ   LYS  83          3HZ       LYS  83   0.819 -17.589 -22.126
  615    H    GLU  84           H        GLU  84  -1.417 -12.017 -17.664
  616    HA   GLU  84           HA       GLU  84   1.346 -11.478 -18.220
  617   1HB   GLU  84          2HB       GLU  84  -1.152 -10.293 -18.562
  618   2HB   GLU  84          1HB       GLU  84  -0.295  -9.175 -17.501
  619   1HG   GLU  84          2HG       GLU  84   0.122  -8.616 -19.864
  620   2HG   GLU  84          1HG       GLU  84   1.610  -9.142 -19.075
  621    HA   PRO  85           HA       PRO  85   2.512 -10.930 -13.915
  622   1HB   PRO  85          2HB       PRO  85   5.189 -10.647 -14.422
  623   2HB   PRO  85          1HB       PRO  85   4.383 -12.227 -14.365
  624   1HG   PRO  85          2HG       PRO  85   5.192 -10.599 -16.718
  625   2HG   PRO  85          1HG       PRO  85   5.237 -12.353 -16.488
  626   1HD   PRO  85          2HD       PRO  85   3.309 -11.058 -17.930
  627   2HD   PRO  85          1HD       PRO  85   3.057 -12.622 -17.123
  628    H    VAL  86           H        VAL  86   4.052  -9.093 -12.910
  629    HA   VAL  86           HA       VAL  86   3.645  -6.585 -14.513
  630    HB   VAL  86           HB       VAL  86   3.314  -6.985 -11.526
  631   1HG1  VAL  86          1HG1      VAL  86   3.147  -4.660 -13.393
  632   2HG1  VAL  86          2HG1      VAL  86   3.706  -4.720 -11.720
  633   3HG1  VAL  86          3HG1      VAL  86   1.977  -4.734 -12.074
  634   1HG2  VAL  86          1HG2      VAL  86   1.612  -8.178 -12.964
  635   2HG2  VAL  86          2HG2      VAL  86   1.171  -6.609 -13.638
  636   3HG2  VAL  86          3HG2      VAL  86   0.928  -6.931 -11.921
  637    HA   PRO  87           HA       PRO  87   7.951  -6.213 -13.350
  638   1HB   PRO  87          2HB       PRO  87   8.553  -4.302 -15.210
  639   2HB   PRO  87          1HB       PRO  87   8.417  -6.023 -15.615
  640   1HG   PRO  87          2HG       PRO  87   6.582  -3.808 -16.211
  641   2HG   PRO  87          1HG       PRO  87   6.790  -5.359 -17.033
  642   1HD   PRO  87          2HD       PRO  87   4.741  -4.641 -15.207
  643   2HD   PRO  87          1HD       PRO  87   5.040  -6.239 -15.921
  644    H    MET  88           H        MET  88   9.259  -4.246 -12.569
  645    HA   MET  88           HA       MET  88   7.466  -2.397 -11.101
  646   1HB   MET  88          2HB       MET  88  10.481  -2.538 -11.121
  647   2HB   MET  88          1HB       MET  88   9.441  -1.895  -9.851
  648   1HG   MET  88          2HG       MET  88   8.683  -4.061  -9.228
  649   2HG   MET  88          1HG       MET  88   9.296  -4.789 -10.711
  650   1HE   MET  88          1HE       MET  88   9.481  -3.805  -7.417
  651   2HE   MET  88          2HE       MET  88  11.137  -3.786  -6.814
  652   3HE   MET  88          3HE       MET  88  10.312  -5.324  -7.052
  653    H    SER  89           H        SER  89   8.389  -2.290 -14.165
  654    HA   SER  89           HA       SER  89   9.386   0.520 -14.058
  655   1HB   SER  89          2HB       SER  89   9.435  -1.620 -16.189
  656   2HB   SER  89          1HB       SER  89  10.062   0.010 -16.407
  657    HG   SER  89           HG       SER  89  11.491  -1.861 -15.620
  658    H    LEU  90           H        LEU  90   7.564   1.762 -14.022
  659    HA   LEU  90           HA       LEU  90   5.111   1.156 -15.366
  660   1HB   LEU  90          2HB       LEU  90   4.699   2.801 -13.850
  661   2HB   LEU  90          1HB       LEU  90   6.392   3.283 -13.818
  662    HG   LEU  90           HG       LEU  90   6.077   4.613 -15.833
  663   1HD1  LEU  90          1HD1      LEU  90   4.172   4.575 -17.130
  664   2HD1  LEU  90          2HD1      LEU  90   3.115   4.302 -15.744
  665   3HD1  LEU  90          3HD1      LEU  90   4.023   2.960 -16.438
  666   1HD2  LEU  90          1HD2      LEU  90   3.840   5.227 -13.888
  667   2HD2  LEU  90          2HD2      LEU  90   4.760   6.376 -14.860
  668   3HD2  LEU  90          3HD2      LEU  90   5.541   5.527 -13.526
  669    HA   PRO  91           HA       PRO  91   6.968   1.804 -19.400
  670   1HB   PRO  91          2HB       PRO  91   4.751   0.991 -20.804
  671   2HB   PRO  91          1HB       PRO  91   5.928  -0.132 -20.091
  672   1HG   PRO  91          2HG       PRO  91   3.279   0.747 -19.038
  673   2HG   PRO  91          1HG       PRO  91   4.003  -0.868 -19.052
  674   1HD   PRO  91          2HD       PRO  91   3.987   0.670 -16.839
  675   2HD   PRO  91          1HD       PRO  91   5.329  -0.440 -17.206
  676    HA   PRO  92           HA       PRO  92   5.399   5.817 -20.265
  677   1HB   PRO  92          2HB       PRO  92   6.347   6.080 -22.815
  678   2HB   PRO  92          1HB       PRO  92   7.391   6.180 -21.383
  679   1HG   PRO  92          2HG       PRO  92   6.942   3.900 -23.246
  680   2HG   PRO  92          1HG       PRO  92   8.446   4.466 -22.498
  681   1HD   PRO  92          2HD       PRO  92   7.067   2.315 -21.591
  682   2HD   PRO  92          1HD       PRO  92   8.037   3.361 -20.527
  683    H    ALA  93           H        ALA  93   4.352   3.002 -21.821
  684    HA   ALA  93           HA       ALA  93   2.558   4.312 -23.760
  685   1HB   ALA  93          1HB       ALA  93   2.200   2.122 -24.495
  686   2HB   ALA  93          2HB       ALA  93   2.348   1.450 -22.872
  687   3HB   ALA  93          3HB       ALA  93   3.790   1.949 -23.755
  688    H    LEU  94           H        LEU  94   2.516   2.947 -20.556
  689    HA   LEU  94           HA       LEU  94  -0.426   3.233 -20.278
  690   1HB   LEU  94          2HB       LEU  94   0.352   1.248 -19.322
  691   2HB   LEU  94          1HB       LEU  94   1.899   1.956 -18.879
  692    HG   LEU  94           HG       LEU  94   0.327   1.395 -16.959
  693   1HD1  LEU  94          1HD1      LEU  94   1.665   2.833 -15.880
  694   2HD1  LEU  94          2HD1      LEU  94   0.692   4.188 -16.456
  695   3HD1  LEU  94          3HD1      LEU  94   2.054   3.607 -17.419
  696   1HD2  LEU  94          1HD2      LEU  94  -1.766   2.203 -17.027
  697   2HD2  LEU  94          2HD2      LEU  94  -1.407   3.018 -18.548
  698   3HD2  LEU  94          3HD2      LEU  94  -1.128   3.846 -17.016
  699    H    VAL  95           H        VAL  95   2.515   4.926 -19.654
  700    HA   VAL  95           HA       VAL  95   1.673   6.507 -17.393
  701    HB   VAL  95           HB       VAL  95   3.995   5.986 -18.694
  702   1HG1  VAL  95          1HG1      VAL  95   4.799   7.839 -19.938
  703   2HG1  VAL  95          2HG1      VAL  95   3.458   8.866 -19.433
  704   3HG1  VAL  95          3HG1      VAL  95   3.180   7.549 -20.572
  705   1HG2  VAL  95          1HG2      VAL  95   4.938   7.226 -17.016
  706   2HG2  VAL  95          2HG2      VAL  95   3.276   7.258 -16.428
  707   3HG2  VAL  95          3HG2      VAL  95   3.917   8.628 -17.334
  708    HA   PRO  96           HA       PRO  96  -1.056   9.260 -19.480
  709   1HB   PRO  96          2HB       PRO  96  -1.071  11.283 -17.635
  710   2HB   PRO  96          1HB       PRO  96  -1.934   9.750 -17.401
  711   1HG   PRO  96          2HG       PRO  96   0.670  10.644 -16.283
  712   2HG   PRO  96          1HG       PRO  96  -0.613   9.691 -15.528
  713   1HD   PRO  96          2HD       PRO  96   1.693   8.613 -16.523
  714   2HD   PRO  96          1HD       PRO  96   0.159   7.723 -16.397
  715    HA   PRO  97           HA       PRO  97   1.430  12.198 -21.577
  716   1HB   PRO  97          2HB       PRO  97  -0.370  14.188 -22.118
  717   2HB   PRO  97          1HB       PRO  97  -0.389  12.615 -22.940
  718   1HG   PRO  97          2HG       PRO  97  -2.088  13.603 -20.708
  719   2HG   PRO  97          1HG       PRO  97  -2.520  12.591 -22.094
  720   1HD   PRO  97          2HD       PRO  97  -2.093  11.613 -19.581
  721   2HD   PRO  97          1HD       PRO  97  -1.846  10.665 -21.063
  722    H    SER  98           H        SER  98  -0.478  13.474 -18.863
  723    HA   SER  98           HA       SER  98   0.867  15.991 -18.629
  724   1HB   SER  98          2HB       SER  98  -0.552  14.177 -16.660
  725   2HB   SER  98          1HB       SER  98  -0.026  15.809 -16.255
  726    HG   SER  98           HG       SER  98  -1.389  16.613 -17.811
  727    H    LYS  99           H        LYS  99   1.780  12.752 -17.731
  728    HA   LYS  99           HA       LYS  99   4.027  13.738 -16.048
  729   1HB   LYS  99          2HB       LYS  99   2.310  11.479 -16.128
  730   2HB   LYS  99          1HB       LYS  99   3.933  10.888 -16.483
  731   1HG   LYS  99          2HG       LYS  99   3.861  12.856 -14.306
  732   2HG   LYS  99          1HG       LYS  99   2.948  11.389 -13.953
  733   1HD   LYS  99          2HD       LYS  99   5.632  11.038 -15.196
  734   2HD   LYS  99          1HD       LYS  99   5.593  11.564 -13.514
  735   1HE   LYS  99          2HE       LYS  99   3.673   9.418 -13.994
  736   2HE   LYS  99          1HE       LYS  99   5.331   8.925 -14.396
  737   1HZ   LYS  99          1HZ       LYS  99   4.996  10.546 -12.001
  738   2HZ   LYS  99          2HZ       LYS  99   6.045   9.240 -12.290
  739   3HZ   LYS  99          3HZ       LYS  99   4.415   8.955 -11.906
  740    H    ARG 100           H        ARG 100   3.582  13.680 -19.209
  741    HA   ARG 100           HA       ARG 100   5.984  12.125 -20.002
  742   1HB   ARG 100          2HB       ARG 100   3.527  13.105 -21.179
  743   2HB   ARG 100          1HB       ARG 100   4.907  13.575 -22.171
  744   1HG   ARG 100          2HG       ARG 100   5.591  11.339 -22.488
  745   2HG   ARG 100          1HG       ARG 100   4.636  10.760 -21.123
  746   1HD   ARG 100          2HD       ARG 100   2.886  12.061 -23.015
  747   2HD   ARG 100          1HD       ARG 100   3.844  10.813 -23.841
  748    HE   ARG 100           HE       ARG 100   2.657  10.081 -21.225
  749   1HH1  ARG 100          1HH2      ARG 100   3.741   8.216 -23.412
  750   2HH1  ARG 100          2HH2      ARG 100   2.264   7.561 -24.037
  751   1HH2  ARG 100          2HH1      ARG 100   0.260   9.976 -22.562
  752   2HH2  ARG 100          1HH1      ARG 100   0.293   8.558 -23.555
  753    H    SER 107           1H       SER 107   7.846   4.283   5.156
  754    HA   SER 107           HA       SER 107   8.094   2.935   3.050
  755   1HB   SER 107          2HB       SER 107   5.268   3.395   4.021
  756   2HB   SER 107          1HB       SER 107   6.026   1.871   3.568
  757    HG   SER 107           HG       SER 107   6.091   3.253   5.936
  758    H    THR 108           H        THR 108   7.417   2.716   0.880
  759    HA   THR 108           HA       THR 108   6.003   5.099  -0.273
  760    HB   THR 108           HB       THR 108   7.606   3.221  -1.941
  761    HG1  THR 108           HG1      THR 108   8.956   5.146  -0.419
  762   1HG2  THR 108          1HG2      THR 108   6.940   6.123  -1.799
  763   2HG2  THR 108          2HG2      THR 108   6.967   5.043  -3.192
  764   3HG2  THR 108          3HG2      THR 108   8.477   5.679  -2.541
  765    H    ASN 109           H        ASN 109   5.764   1.726   0.294
  766    HA   ASN 109           HA       ASN 109   3.415   1.587  -1.550
  767   1HB   ASN 109          2HB       ASN 109   5.397   0.594  -2.615
  768   2HB   ASN 109          1HB       ASN 109   5.647  -0.443  -1.209
  769   1HD2  ASN 109          1HD2      ASN 109   3.215   0.299  -3.740
  770   2HD2  ASN 109          2HD2      ASN 109   2.541  -1.255  -3.774
  771    HA   PRO 110           HA       PRO 110   1.813   0.055   2.336
  772   1HB   PRO 110          2HB       PRO 110  -0.807   0.015   1.554
  773   2HB   PRO 110          1HB       PRO 110   0.043   1.499   2.028
  774   1HG   PRO 110          2HG       PRO 110  -0.650   0.499  -0.670
  775   2HG   PRO 110          1HG       PRO 110  -0.569   2.157  -0.064
  776   1HD   PRO 110          2HD       PRO 110   1.375   0.949  -1.615
  777   2HD   PRO 110          1HD       PRO 110   1.632   2.364  -0.576
  778    H    PHE 111           H        PHE 111   2.459  -1.687  -0.322
  779    HA   PHE 111           HA       PHE 111   0.715  -4.008   0.421
  780   1HB   PHE 111          2HB       PHE 111   2.439  -3.607  -2.042
  781   2HB   PHE 111          1HB       PHE 111   1.184  -4.822  -1.817
  782    HD1  PHE 111           HD1      PHE 111   1.699  -1.112  -1.855
  783    HD2  PHE 111           HD2      PHE 111  -1.043  -4.360  -2.516
  784    HE1  PHE 111           HE1      PHE 111   0.020   0.479  -2.724
  785    HE2  PHE 111           HE2      PHE 111  -2.713  -2.753  -3.367
  786    HZ   PHE 111           HZ       PHE 111  -2.181  -0.334  -3.470
  787    H    ARG 112           HN       ARG 112   4.036  -3.457  -0.774
  788    HA   ARG 112           HA       ARG 112   5.274  -5.816  -0.019
  789   1HB   ARG 112          2HB       ARG 112   6.316  -2.985   0.342
  790   2HB   ARG 112          1HB       ARG 112   7.311  -4.431   0.166
  791   1HG   ARG 112          2HG       ARG 112   5.416  -4.366  -1.983
  792   2HG   ARG 112          1HG       ARG 112   6.222  -2.799  -1.900
  793   1HD   ARG 112          2HD       ARG 112   7.993  -5.171  -1.592
  794   2HD   ARG 112          1HD       ARG 112   7.303  -4.911  -3.206
  795    HE   ARG 112           HE       ARG 112   8.723  -3.042  -3.390
  796   1HH1  ARG 112          1HH2      ARG 112   9.372  -4.271  -0.396
  797   2HH1  ARG 112          2HH2      ARG 112   9.743  -2.761   0.367
  798   1HH2  ARG 112          1HH1      ARG 112   8.612  -0.838  -2.285
  799   2HH2  ARG 112          2HH1      ARG 112   9.313  -0.818  -0.702
  Start of MODEL    9
    1    HA   PRO   6           HA       PRO   6  -2.271   5.229 -27.690
    2   1HB   PRO   6          2HB       PRO   6  -4.727   4.383 -26.830
    3   2HB   PRO   6          1HB       PRO   6  -4.417   4.910 -28.497
    4   1HG   PRO   6          2HG       PRO   6  -4.656   2.161 -27.395
    5   2HG   PRO   6          1HG       PRO   6  -5.196   2.806 -28.953
    6   1HD   PRO   6          2HD       PRO   6  -2.931   1.299 -28.618
    7   2HD   PRO   6          1HD       PRO   6  -3.172   2.460 -29.943
    8    H    TRP   7           H        TRP   7  -3.463   5.465 -25.313
    9    HA   TRP   7           HA       TRP   7  -1.644   4.615 -23.346
   10   1HB   TRP   7          2HB       TRP   7  -3.352   6.390 -23.115
   11   2HB   TRP   7          1HB       TRP   7  -4.625   5.170 -23.144
   12    HD1  TRP   7           HD1      TRP   7  -1.493   4.235 -21.314
   13    HE1  TRP   7           HE1      TRP   7  -1.932   4.229 -18.775
   14    HE3  TRP   7           HE3      TRP   7  -6.098   6.424 -21.221
   15    HZ2  TRP   7           HZ2      TRP   7  -3.972   5.050 -16.946
   16    HZ3  TRP   7           HZ3      TRP   7  -7.266   6.800 -19.071
   17    HH2  TRP   7           HH2      TRP   7  -6.211   6.118 -16.934
   18    H    ALA   8           H        ALA   8  -1.241   2.581 -22.575
   19    HA   ALA   8           HA       ALA   8  -2.294   0.179 -23.357
   20   1HB   ALA   8          1HB       ALA   8  -1.787  -0.443 -20.842
   21   2HB   ALA   8          2HB       ALA   8  -1.222   1.224 -20.774
   22   3HB   ALA   8          3HB       ALA   8  -0.481   0.092 -21.903
   23    H    VAL   9           H        VAL   9  -3.807   2.482 -21.187
   24    HA   VAL   9           HA       VAL   9  -6.000   0.565 -20.559
   25    HB   VAL   9           HB       VAL   9  -5.101   3.268 -19.550
   26   1HG1  VAL   9          1HG1      VAL   9  -7.578   1.763 -18.669
   27   2HG1  VAL   9          2HG1      VAL   9  -7.613   3.166 -19.737
   28   3HG1  VAL   9          3HG1      VAL   9  -7.025   3.331 -18.082
   29   1HG2  VAL   9          1HG2      VAL   9  -5.271   1.790 -17.373
   30   2HG2  VAL   9          2HG2      VAL   9  -3.888   1.598 -18.450
   31   3HG2  VAL   9          3HG2      VAL   9  -5.222   0.447 -18.515
   32    H    LYS  10           H        LYS  10  -7.858   0.644 -21.755
   33    HA   LYS  10           HA       LYS  10  -8.223   2.715 -23.796
   34   1HB   LYS  10          2HB       LYS  10  -9.364   0.102 -22.971
   35   2HB   LYS  10          1HB       LYS  10 -10.478   1.186 -23.805
   36   1HG   LYS  10          2HG       LYS  10  -8.784   1.457 -25.625
   37   2HG   LYS  10          1HG       LYS  10  -7.768   0.267 -24.811
   38   1HD   LYS  10          2HD       LYS  10  -9.091  -1.488 -25.436
   39   2HD   LYS  10          1HD       LYS  10 -10.579  -0.555 -25.272
   40   1HE   LYS  10          2HE       LYS  10 -10.241  -1.047 -27.640
   41   2HE   LYS  10          1HE       LYS  10  -9.931   0.683 -27.391
   42   1HZ   LYS  10          1HZ       LYS  10  -7.545  -0.215 -26.844
   43   2HZ   LYS  10          2HZ       LYS  10  -8.012   0.091 -28.449
   44   3HZ   LYS  10          3HZ       LYS  10  -8.024  -1.498 -27.846
   45    HA   PRO  11           HA       PRO  11 -11.140   5.296 -21.763
   46   1HB   PRO  11          2HB       PRO  11 -13.259   5.409 -23.503
   47   2HB   PRO  11          1HB       PRO  11 -11.717   6.235 -23.807
   48   1HG   PRO  11          2HG       PRO  11 -12.711   3.631 -24.872
   49   2HG   PRO  11          1HG       PRO  11 -11.844   4.931 -25.706
   50   1HD   PRO  11          2HD       PRO  11 -10.609   2.682 -24.879
   51   2HD   PRO  11          1HD       PRO  11  -9.789   4.260 -24.903
   52    H    GLU  12           H        GLU  12 -12.432   2.271 -23.042
   53    HA   GLU  12           HA       GLU  12 -14.740   2.207 -21.238
   54   1HB   GLU  12          2HB       GLU  12 -15.112   0.062 -22.306
   55   2HB   GLU  12          1HB       GLU  12 -14.560   1.185 -23.548
   56   1HG   GLU  12          2HG       GLU  12 -12.201   0.322 -23.091
   57   2HG   GLU  12          1HG       GLU  12 -12.958  -0.967 -22.154
   58    H    ASP  13           H        ASP  13 -11.407   1.329 -21.117
   59    HA   ASP  13           HA       ASP  13 -11.699  -0.658 -18.975
   60   1HB   ASP  13          2HB       ASP  13  -9.563   0.568 -20.652
   61   2HB   ASP  13          1HB       ASP  13  -9.063  -0.053 -19.079
   62    H    LYS  14           H        LYS  14 -10.568   2.689 -19.345
   63    HA   LYS  14           HA       LYS  14  -9.991   3.054 -16.528
   64   1HB   LYS  14          2HB       LYS  14  -9.011   4.330 -18.469
   65   2HB   LYS  14          1HB       LYS  14 -10.585   5.094 -18.692
   66   1HG   LYS  14          2HG       LYS  14 -10.071   5.417 -15.975
   67   2HG   LYS  14          1HG       LYS  14  -8.504   5.692 -16.737
   68   1HD   LYS  14          2HD       LYS  14 -10.141   7.075 -18.424
   69   2HD   LYS  14          1HD       LYS  14 -10.980   7.299 -16.890
   70   1HE   LYS  14          2HE       LYS  14  -9.466   8.889 -16.342
   71   2HE   LYS  14          1HE       LYS  14  -8.198   7.648 -16.371
   72   1HZ   LYS  14          1HZ       LYS  14  -8.931   9.582 -18.406
   73   2HZ   LYS  14          2HZ       LYS  14  -8.655   8.010 -18.984
   74   3HZ   LYS  14          3HZ       LYS  14  -7.441   8.825 -18.120
   75    H    ALA  15           H        ALA  15 -12.827   3.027 -18.453
   76    HA   ALA  15           HA       ALA  15 -14.471   4.800 -16.831
   77   1HB   ALA  15          1HB       ALA  15 -14.969   2.658 -18.917
   78   2HB   ALA  15          2HB       ALA  15 -15.065   4.406 -19.123
   79   3HB   ALA  15          3HB       ALA  15 -16.284   3.563 -18.168
   80    H    LYS  16           H        LYS  16 -13.915   1.293 -17.044
   81    HA   LYS  16           HA       LYS  16 -15.779   0.682 -14.878
   82   1HB   LYS  16          2HB       LYS  16 -15.409  -1.469 -15.590
   83   2HB   LYS  16          1HB       LYS  16 -14.692  -0.668 -16.986
   84   1HG   LYS  16          2HG       LYS  16 -12.481  -0.885 -16.071
   85   2HG   LYS  16          1HG       LYS  16 -13.115  -1.439 -14.523
   86   1HD   LYS  16          2HD       LYS  16 -12.650  -3.500 -15.422
   87   2HD   LYS  16          1HD       LYS  16 -14.250  -3.281 -16.129
   88   1HE   LYS  16          2HE       LYS  16 -12.389  -1.948 -17.834
   89   2HE   LYS  16          1HE       LYS  16 -11.754  -3.571 -17.503
   90   1HZ   LYS  16          1HZ       LYS  16 -13.560  -3.234 -19.338
   91   2HZ   LYS  16          2HZ       LYS  16 -14.627  -3.241 -18.016
   92   3HZ   LYS  16          3HZ       LYS  16 -13.628  -4.582 -18.311
   93    H    TYR  17           H        TYR  17 -12.454   1.587 -15.237
   94    HA   TYR  17           HA       TYR  17 -11.519   0.651 -12.639
   95   1HB   TYR  17          2HB       TYR  17 -10.529   2.736 -14.620
   96   2HB   TYR  17          1HB       TYR  17  -9.601   2.161 -13.237
   97    HD1  TYR  17           HD1      TYR  17  -8.133   1.766 -15.523
   98    HD2  TYR  17           HD2      TYR  17 -11.488  -0.580 -14.219
   99    HE1  TYR  17           HE1      TYR  17  -7.301  -0.154 -16.858
  100    HE2  TYR  17           HE2      TYR  17 -10.667  -2.496 -15.562
  101    HH   TYR  17           HH       TYR  17  -9.061  -3.262 -16.886
  102    H    ASP  18           H        ASP  18 -12.919   3.590 -13.987
  103    HA   ASP  18           HA       ASP  18 -12.474   5.288 -11.683
  104   1HB   ASP  18          2HB       ASP  18 -13.940   5.287 -14.255
  105   2HB   ASP  18          1HB       ASP  18 -14.648   6.310 -13.005
  106    H    ALA  19           H        ALA  19 -14.808   2.822 -12.465
  107    HA   ALA  19           HA       ALA  19 -16.830   3.692 -10.538
  108   1HB   ALA  19          1HB       ALA  19 -18.024   2.064 -11.597
  109   2HB   ALA  19          2HB       ALA  19 -16.754   0.867 -11.344
  110   3HB   ALA  19          3HB       ALA  19 -16.664   1.973 -12.715
  111    H    ILE  20           H        ILE  20 -14.058   1.526 -10.648
  112    HA   ILE  20           HA       ILE  20 -14.562   0.389  -8.006
  113    HB   ILE  20           HB       ILE  20 -12.324   0.342 -10.048
  114   1HG1  ILE  20          2HG1      ILE  20 -13.967  -1.987  -9.070
  115   2HG1  ILE  20          1HG1      ILE  20 -14.608  -0.901 -10.305
  116   1HG2  ILE  20          1HG2      ILE  20 -11.549   0.152  -7.630
  117   2HG2  ILE  20          2HG2      ILE  20 -11.129  -1.199  -8.683
  118   3HG2  ILE  20          3HG2      ILE  20 -12.473  -1.346  -7.549
  119   1HD1  ILE  20          1HD1      ILE  20 -11.981  -2.412 -10.472
  120   2HD1  ILE  20          2HD1      ILE  20 -12.605  -1.310 -11.702
  121   3HD1  ILE  20          3HD1      ILE  20 -13.458  -2.814 -11.348
  122    H    PHE  21           H        PHE  21 -12.666   2.938  -9.500
  123    HA   PHE  21           HA       PHE  21 -11.064   3.582  -7.168
  124   1HB   PHE  21          2HB       PHE  21 -10.056   4.388  -9.065
  125   2HB   PHE  21          1HB       PHE  21 -11.585   4.531  -9.923
  126    HD1  PHE  21           HD1      PHE  21  -8.978   6.305  -8.235
  127    HD2  PHE  21           HD2      PHE  21 -13.155   6.477  -9.219
  128    HE1  PHE  21           HE1      PHE  21  -8.971   8.756  -7.848
  129    HE2  PHE  21           HE2      PHE  21 -13.148   8.926  -8.834
  130    HZ   PHE  21           HZ       PHE  21 -11.057  10.064  -8.148
  131    H    ASP  22           H        ASP  22 -14.184   4.553  -8.464
  132    HA   ASP  22           HA       ASP  22 -14.534   6.687  -6.445
  133   1HB   ASP  22          2HB       ASP  22 -15.319   7.166  -8.646
  134   2HB   ASP  22          1HB       ASP  22 -16.108   5.594  -8.786
  135    H    SER  23           H        SER  23 -14.875   3.350  -6.515
  136    HA   SER  23           HA       SER  23 -17.365   3.200  -4.925
  137   1HB   SER  23          2HB       SER  23 -16.825   0.762  -5.019
  138   2HB   SER  23          1HB       SER  23 -16.828   1.506  -6.616
  139    HG   SER  23           HG       SER  23 -14.595   0.892  -4.972
  140    H    LEU  24           H        LEU  24 -14.101   3.813  -4.369
  141    HA   LEU  24           HA       LEU  24 -14.048   2.643  -1.629
  142   1HB   LEU  24          2HB       LEU  24 -11.888   4.238  -3.007
  143   2HB   LEU  24          1HB       LEU  24 -11.705   2.952  -1.814
  144    HG   LEU  24           HG       LEU  24 -12.858   2.472  -4.564
  145   1HD1  LEU  24          1HD1      LEU  24 -10.790   2.566  -5.447
  146   2HD1  LEU  24          2HD1      LEU  24 -10.210   1.418  -4.241
  147   3HD1  LEU  24          3HD1      LEU  24 -10.181   3.146  -3.896
  148   1HD2  LEU  24          1HD2      LEU  24 -12.312   0.149  -4.050
  149   2HD2  LEU  24          2HD2      LEU  24 -13.285   0.812  -2.735
  150   3HD2  LEU  24          3HD2      LEU  24 -11.539   0.640  -2.543
  151    H    SER  25           H        SER  25 -14.642   5.507  -3.346
  152    HA   SER  25           HA       SER  25 -15.568   7.542  -2.427
  153   1HB   SER  25          2HB       SER  25 -15.550   7.919  -0.128
  154   2HB   SER  25          1HB       SER  25 -15.398   6.165  -0.162
  155    HG   SER  25           HG       SER  25 -13.675   6.595   0.989
  156    HA   PRO  26           HA       PRO  26 -11.512   8.933  -3.900
  157   1HB   PRO  26          2HB       PRO  26 -12.547  10.680  -5.726
  158   2HB   PRO  26          1HB       PRO  26 -12.346   8.948  -6.057
  159   1HG   PRO  26          2HG       PRO  26 -14.788  10.459  -5.297
  160   2HG   PRO  26          1HG       PRO  26 -14.599   9.124  -6.443
  161   1HD   PRO  26          2HD       PRO  26 -15.601   8.821  -3.921
  162   2HD   PRO  26          1HD       PRO  26 -14.763   7.529  -4.807
  163    H    VAL  27           H        VAL  27 -10.444  10.845  -3.392
  164    HA   VAL  27           HA       VAL  27 -12.034  12.897  -1.894
  165    HB   VAL  27           HB       VAL  27  -9.177  11.900  -1.634
  166   1HG1  VAL  27          1HG1      VAL  27  -9.467  13.413   0.535
  167   2HG1  VAL  27          2HG1      VAL  27 -10.610  14.270  -0.499
  168   3HG1  VAL  27          3HG1      VAL  27  -8.924  14.112  -0.992
  169   1HG2  VAL  27          1HG2      VAL  27 -11.103  11.858   0.625
  170   2HG2  VAL  27          2HG2      VAL  27  -9.904  10.657   0.147
  171   3HG2  VAL  27          3HG2      VAL  27 -11.451  10.743  -0.697
  172    H    ASN  28           H        ASN  28 -12.369  14.407  -3.561
  173    HA   ASN  28           HA       ASN  28 -11.773  16.176  -5.009
  174   1HB   ASN  28          2HB       ASN  28 -10.173  16.491  -3.034
  175   2HB   ASN  28          1HB       ASN  28  -8.961  15.663  -4.010
  176   1HD2  ASN  28          1HD2      ASN  28  -8.667  16.656  -6.306
  177   2HD2  ASN  28          2HD2      ASN  28  -8.739  18.350  -6.415
  178    H    GLY  29           H        GLY  29 -11.275  13.096  -5.547
  179   1HA   GLY  29          2HA       GLY  29 -11.036  12.201  -7.793
  180   2HA   GLY  29          1HA       GLY  29  -9.989  13.565  -8.191
  181    H    PHE  30           H        PHE  30  -9.672  11.670  -5.237
  182    HA   PHE  30           HA       PHE  30  -7.286  10.279  -6.359
  183   1HB   PHE  30          2HB       PHE  30  -7.370  12.150  -3.978
  184   2HB   PHE  30          1HB       PHE  30  -6.001  11.095  -4.349
  185    HD1  PHE  30           HD1      PHE  30  -7.487  14.271  -4.943
  186    HD2  PHE  30           HD2      PHE  30  -5.067  11.234  -6.776
  187    HE1  PHE  30           HE1      PHE  30  -6.665  15.926  -6.585
  188    HE2  PHE  30           HE2      PHE  30  -4.235  12.897  -8.424
  189    HZ   PHE  30           HZ       PHE  30  -5.035  15.245  -8.329
  190    H    LEU  31           H        LEU  31  -6.731   8.397  -5.247
  191    HA   LEU  31           HA       LEU  31  -8.621   7.547  -3.070
  192   1HB   LEU  31          2HB       LEU  31  -7.268   6.105  -5.356
  193   2HB   LEU  31          1HB       LEU  31  -7.782   5.208  -3.926
  194    HG   LEU  31           HG       LEU  31  -9.507   6.773  -5.850
  195   1HD1  LEU  31          1HD1      LEU  31 -10.691   4.406  -5.490
  196   2HD1  LEU  31          2HD1      LEU  31  -9.044   3.933  -5.055
  197   3HD1  LEU  31          3HD1      LEU  31  -9.379   4.611  -6.652
  198   1HD2  LEU  31          1HD2      LEU  31 -10.064   5.807  -3.036
  199   2HD2  LEU  31          2HD2      LEU  31 -11.362   6.000  -4.216
  200   3HD2  LEU  31          3HD2      LEU  31 -10.397   7.395  -3.730
  201    H    SER  32           H        SER  32  -7.571   6.204  -1.383
  202    HA   SER  32           HA       SER  32  -4.717   6.993  -1.042
  203   1HB   SER  32          2HB       SER  32  -5.176   6.673   1.330
  204   2HB   SER  32          1HB       SER  32  -6.474   7.645   0.641
  205    HG   SER  32           HG       SER  32  -7.158   5.841   1.978
  206    H    GLY  33           H        GLY  33  -3.140   5.426  -0.686
  207   1HA   GLY  33          2HA       GLY  33  -3.323   2.904  -1.835
  208   2HA   GLY  33          1HA       GLY  33  -2.231   3.245  -0.492
  209    H    ASP  34           H        ASP  34  -4.610   3.965   1.210
  210    HA   ASP  34           HA       ASP  34  -5.058   1.360   2.382
  211   1HB   ASP  34          2HB       ASP  34  -5.057   3.862   3.287
  212   2HB   ASP  34          1HB       ASP  34  -6.784   3.730   2.956
  213    H    LYS  35           H        LYS  35  -6.758   3.280  -0.022
  214    HA   LYS  35           HA       LYS  35  -9.213   1.636   0.225
  215   1HB   LYS  35          2HB       LYS  35  -8.321   4.024  -1.414
  216   2HB   LYS  35          1HB       LYS  35  -9.872   3.230  -1.680
  217   1HG   LYS  35          2HG       LYS  35 -10.599   3.718   0.561
  218   2HG   LYS  35          1HG       LYS  35  -8.990   4.272   1.021
  219   1HD   LYS  35          2HD       LYS  35  -9.154   6.212  -0.357
  220   2HD   LYS  35          1HD       LYS  35 -10.581   5.591  -1.185
  221   1HE   LYS  35          2HE       LYS  35 -11.502   7.123   0.363
  222   2HE   LYS  35          1HE       LYS  35 -11.643   5.580   1.227
  223   1HZ   LYS  35          1HZ       LYS  35  -9.132   6.268   1.805
  224   2HZ   LYS  35          2HZ       LYS  35 -10.456   6.659   2.794
  225   3HZ   LYS  35          3HZ       LYS  35  -9.838   7.807   1.705
  226    H    VAL  36           H        VAL  36  -6.408   2.177  -1.821
  227    HA   VAL  36           HA       VAL  36  -7.307   0.423  -3.980
  228    HB   VAL  36           HB       VAL  36  -4.630   1.588  -3.172
  229   1HG1  VAL  36          1HG1      VAL  36  -3.678   0.592  -4.973
  230   2HG1  VAL  36          2HG1      VAL  36  -5.107   0.835  -5.978
  231   3HG1  VAL  36          3HG1      VAL  36  -5.033  -0.530  -4.859
  232   1HG2  VAL  36          1HG2      VAL  36  -5.122   3.194  -5.004
  233   2HG2  VAL  36          2HG2      VAL  36  -6.335   3.271  -3.725
  234   3HG2  VAL  36          3HG2      VAL  36  -6.695   2.428  -5.232
  235    H    LYS  37           H        LYS  37  -5.154   0.113  -1.154
  236    HA   LYS  37           HA       LYS  37  -3.867  -2.279  -1.579
  237   1HB   LYS  37          2HB       LYS  37  -4.600  -0.670   0.615
  238   2HB   LYS  37          1HB       LYS  37  -5.121  -2.296   1.041
  239   1HG   LYS  37          2HG       LYS  37  -2.865  -3.155   0.490
  240   2HG   LYS  37          1HG       LYS  37  -2.345  -1.513   0.111
  241   1HD   LYS  37          2HD       LYS  37  -1.644  -1.803   2.340
  242   2HD   LYS  37          1HD       LYS  37  -3.166  -0.928   2.503
  243   1HE   LYS  37          2HE       LYS  37  -4.308  -2.787   3.314
  244   2HE   LYS  37          1HE       LYS  37  -3.232  -3.933   2.489
  245   1HZ   LYS  37          1HZ       LYS  37  -1.440  -2.830   3.981
  246   2HZ   LYS  37          2HZ       LYS  37  -2.445  -4.035   4.635
  247   3HZ   LYS  37          3HZ       LYS  37  -2.759  -2.396   4.954
  248    HA   PRO  38           HA       PRO  38  -7.733  -4.820  -0.252
  249   1HB   PRO  38          2HB       PRO  38 -10.135  -3.487  -0.318
  250   2HB   PRO  38          1HB       PRO  38  -9.143  -3.637   1.148
  251   1HG   PRO  38          2HG       PRO  38  -9.362  -1.362  -0.769
  252   2HG   PRO  38          1HG       PRO  38  -9.283  -1.341   1.002
  253   1HD   PRO  38          2HD       PRO  38  -7.146  -0.775  -0.521
  254   2HD   PRO  38          1HD       PRO  38  -6.990  -1.610   1.039
  255    H    VAL  39           H        VAL  39  -8.098  -2.217  -2.603
  256    HA   VAL  39           HA       VAL  39  -9.785  -3.595  -4.475
  257    HB   VAL  39           HB       VAL  39  -7.862  -1.287  -4.447
  258   1HG1  VAL  39          1HG1      VAL  39  -9.227  -2.249  -6.973
  259   2HG1  VAL  39          2HG1      VAL  39  -7.516  -2.505  -6.626
  260   3HG1  VAL  39          3HG1      VAL  39  -8.142  -0.869  -6.804
  261   1HG2  VAL  39          1HG2      VAL  39  -9.972  -0.625  -3.731
  262   2HG2  VAL  39          2HG2      VAL  39 -10.802  -1.752  -4.803
  263   3HG2  VAL  39          3HG2      VAL  39 -10.080  -0.283  -5.457
  264    H    LEU  40           H        LEU  40  -6.315  -3.575  -3.832
  265    HA   LEU  40           HA       LEU  40  -5.720  -5.262  -6.196
  266   1HB   LEU  40          2HB       LEU  40  -3.975  -4.189  -3.955
  267   2HB   LEU  40          1HB       LEU  40  -3.427  -4.807  -5.515
  268    HG   LEU  40           HG       LEU  40  -5.353  -2.498  -5.287
  269   1HD1  LEU  40          1HD1      LEU  40  -2.369  -2.581  -5.126
  270   2HD1  LEU  40          2HD1      LEU  40  -3.519  -1.532  -4.293
  271   3HD1  LEU  40          3HD1      LEU  40  -3.137  -1.248  -5.991
  272   1HD2  LEU  40          1HD2      LEU  40  -5.283  -3.713  -7.413
  273   2HD2  LEU  40          2HD2      LEU  40  -3.529  -3.515  -7.474
  274   3HD2  LEU  40          3HD2      LEU  40  -4.581  -2.103  -7.598
  275    H    LEU  41           H        LEU  41  -6.008  -5.489  -2.695
  276    HA   LEU  41           HA       LEU  41  -4.804  -8.116  -2.448
  277   1HB   LEU  41          2HB       LEU  41  -6.679  -6.420  -0.778
  278   2HB   LEU  41          1HB       LEU  41  -6.045  -7.969  -0.225
  279    HG   LEU  41           HG       LEU  41  -4.227  -5.770  -1.203
  280   1HD1  LEU  41          1HD1      LEU  41  -5.882  -5.429   0.938
  281   2HD1  LEU  41          2HD1      LEU  41  -4.277  -4.708   0.816
  282   3HD1  LEU  41          3HD1      LEU  41  -4.502  -6.212   1.709
  283   1HD2  LEU  41          1HD2      LEU  41  -3.155  -7.421   0.860
  284   2HD2  LEU  41          2HD2      LEU  41  -2.675  -7.363  -0.837
  285   3HD2  LEU  41          3HD2      LEU  41  -3.935  -8.481  -0.314
  286    H    ASN  42           H        ASN  42  -7.743  -6.927  -3.700
  287    HA   ASN  42           HA       ASN  42  -9.286  -9.352  -3.070
  288   1HB   ASN  42          2HB       ASN  42 -10.307  -7.120  -2.987
  289   2HB   ASN  42          1HB       ASN  42  -9.876  -6.846  -4.676
  290   1HD2  ASN  42          1HD2      ASN  42 -12.284  -6.595  -5.031
  291   2HD2  ASN  42          2HD2      ASN  42 -13.234  -7.991  -5.205
  292    H    SER  43           H        SER  43  -7.100  -8.335  -5.468
  293    HA   SER  43           HA       SER  43  -8.335  -9.713  -7.741
  294   1HB   SER  43          2HB       SER  43  -6.222  -9.057  -8.830
  295   2HB   SER  43          1HB       SER  43  -6.892  -7.705  -7.923
  296    HG   SER  43           HG       SER  43  -5.419  -8.085  -6.306
  297    H    LYS  44           H        LYS  44  -7.208 -11.013  -5.012
  298    HA   LYS  44           HA       LYS  44  -6.392 -13.169  -4.485
  299   1HB   LYS  44          2HB       LYS  44  -7.653 -13.254  -7.020
  300   2HB   LYS  44          1HB       LYS  44  -6.155 -14.171  -7.187
  301   1HG   LYS  44          2HG       LYS  44  -6.803 -15.341  -5.001
  302   2HG   LYS  44          1HG       LYS  44  -8.400 -14.624  -5.214
  303   1HD   LYS  44          2HD       LYS  44  -8.738 -15.767  -7.291
  304   2HD   LYS  44          1HD       LYS  44  -7.047 -16.267  -7.365
  305   1HE   LYS  44          2HE       LYS  44  -8.610 -17.103  -4.954
  306   2HE   LYS  44          1HE       LYS  44  -8.934 -17.947  -6.482
  307   1HZ   LYS  44          1HZ       LYS  44  -7.102 -19.026  -5.408
  308   2HZ   LYS  44          2HZ       LYS  44  -6.287 -17.553  -5.188
  309   3HZ   LYS  44          3HZ       LYS  44  -6.497 -18.184  -6.751
  310    H    LEU  45           H        LEU  45  -4.703 -10.808  -5.755
  311    HA   LEU  45           HA       LEU  45  -2.301 -12.336  -6.625
  312   1HB   LEU  45          2HB       LEU  45  -3.315  -9.516  -6.717
  313   2HB   LEU  45          1HB       LEU  45  -1.577  -9.786  -6.837
  314    HG   LEU  45           HG       LEU  45  -3.665 -11.092  -8.604
  315   1HD1  LEU  45          1HD1      LEU  45  -1.666  -9.277  -9.776
  316   2HD1  LEU  45          2HD1      LEU  45  -2.796  -8.480  -8.685
  317   3HD1  LEU  45          3HD1      LEU  45  -3.400  -9.379 -10.075
  318   1HD2  LEU  45          1HD2      LEU  45  -1.977 -12.323  -9.529
  319   2HD2  LEU  45          2HD2      LEU  45  -1.165 -12.036  -7.991
  320   3HD2  LEU  45          3HD2      LEU  45  -0.810 -11.009  -9.379
  321    HA   PRO  46           HA       PRO  46  -0.364 -11.808  -2.714
  322   1HB   PRO  46          2HB       PRO  46   2.260 -11.881  -3.488
  323   2HB   PRO  46          1HB       PRO  46   1.226 -13.320  -3.458
  324   1HG   PRO  46          2HG       PRO  46   2.093 -11.668  -5.754
  325   2HG   PRO  46          1HG       PRO  46   1.810 -13.410  -5.656
  326   1HD   PRO  46          2HD       PRO  46   0.059 -11.590  -6.756
  327   2HD   PRO  46          1HD       PRO  46  -0.396 -13.199  -6.162
  328    H    VAL  47           H        VAL  47   1.266 -10.233  -1.641
  329    HA   VAL  47           HA       VAL  47   0.644  -7.526  -2.400
  330    HB   VAL  47           HB       VAL  47   2.230  -9.002  -0.347
  331   1HG1  VAL  47          1HG1      VAL  47   2.662  -6.074  -0.993
  332   2HG1  VAL  47          2HG1      VAL  47   3.884  -7.345  -0.961
  333   3HG1  VAL  47          3HG1      VAL  47   3.120  -6.819   0.539
  334   1HG2  VAL  47          1HG2      VAL  47   0.366  -8.440   0.781
  335   2HG2  VAL  47          2HG2      VAL  47  -0.187  -7.450  -0.568
  336   3HG2  VAL  47          3HG2      VAL  47   0.854  -6.749   0.671
  337    H    ASP  48           H        ASP  48   2.818  -9.721  -3.733
  338    HA   ASP  48           HA       ASP  48   5.020  -7.881  -4.222
  339   1HB   ASP  48          2HB       ASP  48   4.207 -10.642  -5.119
  340   2HB   ASP  48          1HB       ASP  48   5.588  -9.829  -5.854
  341    H    ILE  49           H        ILE  49   2.053  -8.841  -5.792
  342    HA   ILE  49           HA       ILE  49   2.762  -7.513  -8.332
  343    HB   ILE  49           HB       ILE  49   0.023  -8.467  -7.497
  344   1HG1  ILE  49          2HG1      ILE  49   1.507 -10.274  -6.814
  345   2HG1  ILE  49          1HG1      ILE  49   0.684 -10.743  -8.300
  346   1HG2  ILE  49          1HG2      ILE  49  -0.186  -7.707  -9.635
  347   2HG2  ILE  49          2HG2      ILE  49   0.442  -9.306 -10.033
  348   3HG2  ILE  49          3HG2      ILE  49   1.527  -7.916  -9.988
  349   1HD1  ILE  49          1HD1      ILE  49   3.220 -11.155  -8.182
  350   2HD1  ILE  49          2HD1      ILE  49   3.381  -9.405  -8.353
  351   3HD1  ILE  49          3HD1      ILE  49   2.595 -10.349  -9.621
  352    H    LEU  50           H        LEU  50   0.742  -7.057  -5.492
  353    HA   LEU  50           HA       LEU  50  -0.512  -4.597  -6.416
  354   1HB   LEU  50          2HB       LEU  50  -0.154  -5.567  -3.580
  355   2HB   LEU  50          1HB       LEU  50  -1.495  -4.645  -4.257
  356    HG   LEU  50           HG       LEU  50  -0.829  -7.549  -4.739
  357   1HD1  LEU  50          1HD1      LEU  50  -2.136  -7.202  -2.759
  358   2HD1  LEU  50          2HD1      LEU  50  -3.242  -7.771  -4.012
  359   3HD1  LEU  50          3HD1      LEU  50  -3.194  -6.058  -3.589
  360   1HD2  LEU  50          1HD2      LEU  50  -1.670  -7.311  -6.818
  361   2HD2  LEU  50          2HD2      LEU  50  -2.070  -5.622  -6.514
  362   3HD2  LEU  50          3HD2      LEU  50  -3.211  -6.892  -6.071
  363    H    GLY  51           H        GLY  51   2.398  -5.514  -4.692
  364   1HA   GLY  51          2HA       GLY  51   2.957  -2.844  -3.652
  365   2HA   GLY  51          1HA       GLY  51   4.106  -4.189  -3.723
  366    H    ARG  52           H        ARG  52   3.426  -4.598  -6.580
  367    HA   ARG  52           HA       ARG  52   5.227  -2.519  -7.705
  368   1HB   ARG  52          2HB       ARG  52   5.205  -5.256  -7.794
  369   2HB   ARG  52          1HB       ARG  52   4.407  -4.842  -9.312
  370   1HG   ARG  52          2HG       ARG  52   6.321  -3.182  -9.683
  371   2HG   ARG  52          1HG       ARG  52   7.148  -4.013  -8.365
  372   1HD   ARG  52          2HD       ARG  52   6.032  -5.520 -10.739
  373   2HD   ARG  52          1HD       ARG  52   7.679  -4.859 -10.725
  374    HE   ARG  52           HE       ARG  52   6.673  -6.762  -8.634
  375   1HH1  ARG  52          1HH2      ARG  52   9.311  -5.038  -8.594
  376   2HH1  ARG  52          2HH2      ARG  52  10.463  -6.279  -8.956
  377   1HH2  ARG  52          2HH1      ARG  52   8.073  -8.565  -9.996
  378   2HH2  ARG  52          1HH1      ARG  52   9.763  -8.275  -9.747
  379    H    VAL  53           H        VAL  53   1.977  -3.923  -8.036
  380    HA   VAL  53           HA       VAL  53   1.379  -2.574 -10.542
  381    HB   VAL  53           HB       VAL  53  -0.188  -3.892  -8.320
  382   1HG1  VAL  53          1HG1      VAL  53  -2.092  -2.864  -8.942
  383   2HG1  VAL  53          2HG1      VAL  53  -1.852  -3.426 -10.597
  384   3HG1  VAL  53          3HG1      VAL  53  -1.189  -1.874 -10.090
  385   1HG2  VAL  53          1HG2      VAL  53  -0.431  -5.648  -9.843
  386   2HG2  VAL  53          2HG2      VAL  53   1.171  -5.043 -10.266
  387   3HG2  VAL  53          3HG2      VAL  53  -0.231  -4.595 -11.247
  388    H    TRP  54           H        TRP  54   1.114  -1.810  -7.118
  389    HA   TRP  54           HA       TRP  54  -0.422   0.611  -7.417
  390   1HB   TRP  54          2HB       TRP  54  -0.342  -0.330  -5.253
  391   2HB   TRP  54          1HB       TRP  54   1.401  -0.603  -5.341
  392    HD1  TRP  54           HD1      TRP  54   3.001   1.518  -5.052
  393    HE1  TRP  54           HE1      TRP  54   2.626   3.823  -4.011
  394    HE3  TRP  54           HE3      TRP  54  -2.081   1.467  -4.666
  395    HZ2  TRP  54           HZ2      TRP  54   0.439   5.436  -3.073
  396    HZ3  TRP  54           HZ3      TRP  54  -3.289   3.388  -3.665
  397    HH2  TRP  54           HH2      TRP  54  -2.037   5.367  -2.874
  398    H    GLU  55           H        GLU  55   3.087   0.100  -6.792
  399    HA   GLU  55           HA       GLU  55   4.032   2.685  -6.963
  400   1HB   GLU  55          2HB       GLU  55   5.081   0.108  -8.126
  401   2HB   GLU  55          1HB       GLU  55   6.042   1.587  -8.044
  402   1HG   GLU  55          2HG       GLU  55   4.718   0.963  -5.521
  403   2HG   GLU  55          1HG       GLU  55   5.832  -0.302  -6.040
  404    H    LEU  56           H        LEU  56   3.939   0.585  -9.855
  405    HA   LEU  56           HA       LEU  56   4.343   2.654 -11.747
  406   1HB   LEU  56          2HB       LEU  56   2.739   0.080 -11.973
  407   2HB   LEU  56          1HB       LEU  56   3.372   1.003 -13.336
  408    HG   LEU  56           HG       LEU  56   5.343   0.268 -11.237
  409   1HD1  LEU  56          1HD1      LEU  56   5.067  -1.913 -13.124
  410   2HD1  LEU  56          2HD1      LEU  56   3.584  -1.708 -12.194
  411   3HD1  LEU  56          3HD1      LEU  56   5.116  -1.969 -11.362
  412   1HD2  LEU  56          1HD2      LEU  56   6.664   0.926 -12.950
  413   2HD2  LEU  56          2HD2      LEU  56   5.269   1.038 -14.022
  414   3HD2  LEU  56          3HD2      LEU  56   6.133  -0.490 -13.857
  415    H    SER  57           H        SER  57   1.578   1.858  -9.833
  416    HA   SER  57           HA       SER  57  -0.309   3.397 -11.527
  417   1HB   SER  57          2HB       SER  57  -0.515   1.842  -8.934
  418   2HB   SER  57          1HB       SER  57  -1.880   2.679  -9.669
  419    HG   SER  57           HG       SER  57  -1.650   1.378 -11.479
  420    H    ASP  58           H        ASP  58   1.770   3.795  -8.790
  421    HA   ASP  58           HA       ASP  58   0.391   6.259  -7.858
  422   1HB   ASP  58          2HB       ASP  58   1.151   4.632  -6.205
  423   2HB   ASP  58          1HB       ASP  58   2.779   4.660  -6.886
  424    H    ILE  59           H        ILE  59   0.921   7.551  -9.797
  425    HA   ILE  59           HA       ILE  59   3.785   7.986 -10.395
  426    HB   ILE  59           HB       ILE  59   1.157   8.949 -11.543
  427   1HG1  ILE  59          2HG1      ILE  59   3.268   7.287 -12.909
  428   2HG1  ILE  59          1HG1      ILE  59   2.124   6.523 -11.806
  429   1HG2  ILE  59          1HG2      ILE  59   2.417  10.709 -12.283
  430   2HG2  ILE  59          2HG2      ILE  59   3.016   9.527 -13.448
  431   3HG2  ILE  59          3HG2      ILE  59   3.939   9.870 -11.985
  432   1HD1  ILE  59          1HD1      ILE  59   1.683   7.047 -14.501
  433   2HD1  ILE  59          2HD1      ILE  59   0.807   8.339 -13.682
  434   3HD1  ILE  59          3HD1      ILE  59   0.442   6.652 -13.314
  435    H    ASP  60           H        ASP  60   1.352   9.381  -8.406
  436    HA   ASP  60           HA       ASP  60   2.596  12.075  -8.416
  437   1HB   ASP  60          2HB       ASP  60   0.345  10.989  -6.704
  438   2HB   ASP  60          1HB       ASP  60   0.665  12.673  -7.119
  439    H    HIS  61           H        HIS  61   2.889   9.098  -6.778
  440    HA   HIS  61           HA       HIS  61   4.123   8.461  -4.862
  441   1HB   HIS  61          2HB       HIS  61   5.339  11.221  -5.110
  442   2HB   HIS  61          1HB       HIS  61   6.113   9.742  -4.541
  443    HD1  HIS  61           HD1      HIS  61   7.159  11.467  -6.987
  444    HD2  HIS  61           HD2      HIS  61   4.846   8.013  -7.287
  445    HE1  HIS  61           HE1      HIS  61   7.578  10.523  -9.299
  446    H    ASP  62           H        ASP  62   1.572   9.479  -4.248
  447    HA   ASP  62           HA       ASP  62   2.131  11.006  -1.725
  448   1HB   ASP  62          2HB       ASP  62  -0.062  12.116  -2.146
  449   2HB   ASP  62          1HB       ASP  62   1.082  12.414  -3.453
  450    H    GLY  63           H        GLY  63   1.759   8.046  -2.398
  451   1HA   GLY  63          2HA       GLY  63   0.671   6.202  -1.433
  452   2HA   GLY  63          1HA       GLY  63   0.230   7.293  -0.119
  453    H    MET  64           H        MET  64  -0.663   7.650  -3.541
  454    HA   MET  64           HA       MET  64  -3.476   6.912  -2.893
  455   1HB   MET  64          2HB       MET  64  -2.429   9.627  -3.679
  456   2HB   MET  64          1HB       MET  64  -4.115   9.182  -3.911
  457   1HG   MET  64          2HG       MET  64  -4.452   8.871  -1.574
  458   2HG   MET  64          1HG       MET  64  -2.718   8.948  -1.245
  459   1HE   MET  64          1HE       MET  64  -5.230  11.484   0.099
  460   2HE   MET  64          2HE       MET  64  -5.711  10.148  -0.945
  461   3HE   MET  64          3HE       MET  64  -5.930  11.808  -1.494
  462    H    LEU  65           H        LEU  65  -4.841   6.810  -4.821
  463    HA   LEU  65           HA       LEU  65  -3.325   6.603  -7.403
  464   1HB   LEU  65          2HB       LEU  65  -5.318   4.794  -6.041
  465   2HB   LEU  65          1HB       LEU  65  -5.169   4.769  -7.798
  466    HG   LEU  65           HG       LEU  65  -2.969   4.241  -5.787
  467   1HD1  LEU  65          1HD1      LEU  65  -3.267   2.028  -6.243
  468   2HD1  LEU  65          2HD1      LEU  65  -3.584   2.329  -7.953
  469   3HD1  LEU  65          3HD1      LEU  65  -4.875   2.531  -6.767
  470   1HD2  LEU  65          1HD2      LEU  65  -2.935   4.691  -8.769
  471   2HD2  LEU  65          2HD2      LEU  65  -1.697   3.710  -7.987
  472   3HD2  LEU  65          3HD2      LEU  65  -1.893   5.405  -7.540
  473    H    ASP  66           H        ASP  66  -4.069   8.518  -8.391
  474    HA   ASP  66           HA       ASP  66  -6.739   9.551  -8.004
  475   1HB   ASP  66          2HB       ASP  66  -5.998  11.260  -9.463
  476   2HB   ASP  66          1HB       ASP  66  -4.522  10.712  -8.669
  477    H    ARG  67           H        ARG  67  -8.358   9.775  -9.721
  478    HA   ARG  67           HA       ARG  67  -9.457   7.541 -10.803
  479   1HB   ARG  67          2HB       ARG  67 -10.378   9.066 -12.567
  480   2HB   ARG  67          1HB       ARG  67 -10.427   9.772 -10.950
  481   1HG   ARG  67          2HG       ARG  67  -8.041  10.691 -11.618
  482   2HG   ARG  67          1HG       ARG  67  -8.641  10.451 -13.260
  483   1HD   ARG  67          2HD       ARG  67 -10.572  11.780 -11.460
  484   2HD   ARG  67          1HD       ARG  67  -9.103  12.720 -11.793
  485    HE   ARG  67           HE       ARG  67  -9.969  11.559 -14.240
  486   1HH1  ARG  67          1HH2      ARG  67 -10.071  14.363 -12.367
  487   2HH1  ARG  67          2HH2      ARG  67 -11.324  15.131 -13.284
  488   1HH2  ARG  67          2HH1      ARG  67 -11.971  12.338 -15.235
  489   2HH2  ARG  67          1HH1      ARG  67 -12.400  13.984 -14.908
  490    H    ASP  68           H        ASP  68  -6.910   9.428 -12.453
  491    HA   ASP  68           HA       ASP  68  -6.817   7.572 -14.713
  492   1HB   ASP  68          2HB       ASP  68  -6.261  10.145 -14.477
  493   2HB   ASP  68          1HB       ASP  68  -4.662   9.550 -14.029
  494    H    GLU  69           H        GLU  69  -5.005   8.029 -11.722
  495    HA   GLU  69           HA       GLU  69  -2.866   6.197 -12.469
  496   1HB   GLU  69          2HB       GLU  69  -3.793   7.729 -10.082
  497   2HB   GLU  69          1HB       GLU  69  -2.725   6.353  -9.792
  498   1HG   GLU  69          2HG       GLU  69  -1.053   7.247 -11.283
  499   2HG   GLU  69          1HG       GLU  69  -2.141   8.533 -11.805
  500    H    PHE  70           H        PHE  70  -5.774   6.010 -10.417
  501    HA   PHE  70           HA       PHE  70  -5.485   3.311  -9.577
  502   1HB   PHE  70          2HB       PHE  70  -7.124   5.071  -8.777
  503   2HB   PHE  70          1HB       PHE  70  -8.040   4.805 -10.262
  504    HD1  PHE  70           HD1      PHE  70  -7.340   3.606  -6.931
  505    HD2  PHE  70           HD2      PHE  70  -8.890   2.456 -10.769
  506    HE1  PHE  70           HE1      PHE  70  -8.428   1.631  -5.900
  507    HE2  PHE  70           HE2      PHE  70  -9.979   0.483  -9.737
  508    HZ   PHE  70           HZ       PHE  70  -9.739   0.071  -7.302
  509    H    ALA  71           H        ALA  71  -6.191   4.705 -12.665
  510    HA   ALA  71           HA       ALA  71  -7.588   2.403 -13.798
  511   1HB   ALA  71          1HB       ALA  71  -7.562   4.893 -14.507
  512   2HB   ALA  71          2HB       ALA  71  -7.481   3.693 -15.798
  513   3HB   ALA  71          3HB       ALA  71  -6.015   4.523 -15.271
  514    H    VAL  72           H        VAL  72  -4.265   3.661 -13.947
  515    HA   VAL  72           HA       VAL  72  -3.137   1.652 -15.619
  516    HB   VAL  72           HB       VAL  72  -1.936   3.220 -13.307
  517   1HG1  VAL  72          1HG1      VAL  72  -0.079   2.863 -15.392
  518   2HG1  VAL  72          2HG1      VAL  72  -0.839   1.288 -15.163
  519   3HG1  VAL  72          3HG1      VAL  72  -0.053   2.092 -13.805
  520   1HG2  VAL  72          1HG2      VAL  72  -3.173   4.442 -15.271
  521   2HG2  VAL  72          2HG2      VAL  72  -1.762   3.976 -16.220
  522   3HG2  VAL  72          3HG2      VAL  72  -1.566   5.002 -14.798
  523    H    ALA  73           H        ALA  73  -4.029   1.662 -12.236
  524    HA   ALA  73           HA       ALA  73  -2.551  -0.829 -11.622
  525   1HB   ALA  73          1HB       ALA  73  -4.550   0.406  -9.791
  526   2HB   ALA  73          2HB       ALA  73  -3.150   1.391 -10.225
  527   3HB   ALA  73          3HB       ALA  73  -2.920  -0.175  -9.444
  528    H    MET  74           H        MET  74  -5.548  -0.079 -13.020
  529    HA   MET  74           HA       MET  74  -7.068  -2.261 -11.752
  530   1HB   MET  74          2HB       MET  74  -7.463  -0.115 -13.801
  531   2HB   MET  74          1HB       MET  74  -8.564  -1.490 -13.835
  532   1HG   MET  74          2HG       MET  74  -7.992   0.031 -11.290
  533   2HG   MET  74          1HG       MET  74  -9.275   0.515 -12.399
  534   1HE   MET  74          1HE       MET  74  -8.009  -2.727 -10.196
  535   2HE   MET  74          2HE       MET  74  -9.350  -2.355  -9.117
  536   3HE   MET  74          3HE       MET  74  -8.221  -1.083  -9.581
  537    H    PHE  75           H        PHE  75  -5.756  -1.582 -15.006
  538    HA   PHE  75           HA       PHE  75  -6.363  -4.268 -15.958
  539   1HB   PHE  75          2HB       PHE  75  -5.504  -3.441 -17.982
  540   2HB   PHE  75          1HB       PHE  75  -5.999  -1.947 -17.187
  541    HD1  PHE  75           HD1      PHE  75  -3.091  -4.192 -17.787
  542    HD2  PHE  75           HD2      PHE  75  -4.425  -0.285 -16.608
  543    HE1  PHE  75           HE1      PHE  75  -0.752  -3.378 -17.851
  544    HE2  PHE  75           HE2      PHE  75  -2.093   0.532 -16.674
  545    HZ   PHE  75           HZ       PHE  75  -0.248  -1.020 -17.291
  546    H    LEU  76           H        LEU  76  -3.743  -2.619 -14.353
  547    HA   LEU  76           HA       LEU  76  -1.628  -4.519 -14.768
  548   1HB   LEU  76          2HB       LEU  76  -2.341  -2.284 -12.930
  549   2HB   LEU  76          1HB       LEU  76  -1.092  -3.394 -12.369
  550    HG   LEU  76           HG       LEU  76  -1.081  -1.911 -15.011
  551   1HD1  LEU  76          1HD1      LEU  76   0.286  -0.354 -14.046
  552   2HD1  LEU  76          2HD1      LEU  76   1.049  -1.535 -12.984
  553   3HD1  LEU  76          3HD1      LEU  76  -0.527  -0.865 -12.569
  554   1HD2  LEU  76          1HD2      LEU  76   0.252  -4.297 -14.162
  555   2HD2  LEU  76          2HD2      LEU  76   1.452  -3.010 -14.275
  556   3HD2  LEU  76          3HD2      LEU  76   0.459  -3.415 -15.675
  557    H    VAL  77           H        VAL  77  -4.399  -4.361 -12.645
  558    HA   VAL  77           HA       VAL  77  -3.481  -6.637 -10.994
  559    HB   VAL  77           HB       VAL  77  -5.873  -4.760 -11.038
  560   1HG1  VAL  77          1HG1      VAL  77  -5.698  -6.286  -8.606
  561   2HG1  VAL  77          2HG1      VAL  77  -5.770  -7.407  -9.966
  562   3HG1  VAL  77          3HG1      VAL  77  -7.038  -6.200  -9.749
  563   1HG2  VAL  77          1HG2      VAL  77  -4.761  -3.601  -9.418
  564   2HG2  VAL  77          2HG2      VAL  77  -3.336  -4.404 -10.076
  565   3HG2  VAL  77          3HG2      VAL  77  -4.142  -5.064  -8.653
  566    H    TYR  78           H        TYR  78  -5.583  -6.009 -13.718
  567    HA   TYR  78           HA       TYR  78  -6.987  -8.591 -13.417
  568   1HB   TYR  78          2HB       TYR  78  -7.160  -6.119 -15.043
  569   2HB   TYR  78          1HB       TYR  78  -7.665  -7.596 -15.866
  570    HD1  TYR  78           HD1      TYR  78  -8.949  -4.962 -14.108
  571    HD2  TYR  78           HD2      TYR  78  -8.956  -9.258 -14.024
  572    HE1  TYR  78           HE1      TYR  78 -11.086  -4.930 -12.854
  573    HE2  TYR  78           HE2      TYR  78 -11.100  -9.225 -12.770
  574    HH   TYR  78           HH       TYR  78 -12.214  -6.973 -11.098
  575    H    CYS  79           H        CYS  79  -4.238  -7.253 -15.076
  576    HA   CYS  79           HA       CYS  79  -4.056  -9.430 -17.052
  577   1HB   CYS  79          2HB       CYS  79  -2.673  -6.896 -16.327
  578   2HB   CYS  79          1HB       CYS  79  -1.674  -8.120 -17.111
  579    HG   CYS  79           HG       CYS  79  -3.607  -8.159 -19.028
  580    H    ALA  80           H        ALA  80  -3.195  -8.936 -13.765
  581    HA   ALA  80           HA       ALA  80  -0.883 -10.780 -13.821
  582   1HB   ALA  80          1HB       ALA  80  -1.176 -10.346 -11.266
  583   2HB   ALA  80          2HB       ALA  80  -2.375  -9.148 -11.760
  584   3HB   ALA  80          3HB       ALA  80  -0.697  -8.986 -12.282
  585    H    LEU  81           H        LEU  81  -4.280 -10.918 -13.572
  586    HA   LEU  81           HA       LEU  81  -4.356 -13.453 -12.035
  587   1HB   LEU  81          2HB       LEU  81  -6.656 -12.125 -13.456
  588   2HB   LEU  81          1HB       LEU  81  -6.676 -13.027 -11.943
  589    HG   LEU  81           HG       LEU  81  -5.789 -10.208 -12.460
  590   1HD1  LEU  81          1HD1      LEU  81  -8.024 -10.398 -11.676
  591   2HD1  LEU  81          2HD1      LEU  81  -7.077  -9.950 -10.258
  592   3HD1  LEU  81          3HD1      LEU  81  -7.584 -11.624 -10.487
  593   1HD2  LEU  81          1HD2      LEU  81  -4.636 -12.153 -10.529
  594   2HD2  LEU  81          2HD2      LEU  81  -5.020 -10.554  -9.888
  595   3HD2  LEU  81          3HD2      LEU  81  -3.907 -10.718 -11.249
  596    H    GLU  82           H        GLU  82  -4.968 -12.199 -15.274
  597    HA   GLU  82           HA       GLU  82  -5.852 -14.668 -16.456
  598   1HB   GLU  82          2HB       GLU  82  -5.784 -12.039 -17.116
  599   2HB   GLU  82          1HB       GLU  82  -4.400 -12.613 -18.045
  600   1HG   GLU  82          2HG       GLU  82  -6.384 -12.758 -19.432
  601   2HG   GLU  82          1HG       GLU  82  -5.863 -14.393 -19.022
  602    H    LYS  83           H        LYS  83  -2.751 -12.932 -16.733
  603    HA   LYS  83           HA       LYS  83  -1.074 -15.196 -16.306
  604   1HB   LYS  83          2HB       LYS  83  -2.483 -15.560 -18.561
  605   2HB   LYS  83          1HB       LYS  83  -1.126 -14.655 -19.227
  606   1HG   LYS  83          2HG       LYS  83   0.189 -16.473 -19.108
  607   2HG   LYS  83          1HG       LYS  83  -0.124 -16.611 -17.378
  608   1HD   LYS  83          2HD       LYS  83  -2.428 -17.616 -18.181
  609   2HD   LYS  83          1HD       LYS  83  -1.534 -17.940 -19.667
  610   1HE   LYS  83          2HE       LYS  83   0.241 -19.072 -18.249
  611   2HE   LYS  83          1HE       LYS  83  -0.876 -18.934 -16.876
  612   1HZ   LYS  83          1HZ       LYS  83  -1.558 -20.920 -17.751
  613   2HZ   LYS  83          2HZ       LYS  83  -1.152 -20.497 -19.345
  614   3HZ   LYS  83          3HZ       LYS  83  -2.557 -19.869 -18.629
  615    H    GLU  84           H        GLU  84  -1.553 -12.032 -17.726
  616    HA   GLU  84           HA       GLU  84   1.198 -11.488 -18.397
  617   1HB   GLU  84          2HB       GLU  84  -1.400 -10.181 -18.329
  618   2HB   GLU  84          1HB       GLU  84  -0.113  -9.079 -17.839
  619   1HG   GLU  84          2HG       GLU  84   1.173  -9.763 -19.883
  620   2HG   GLU  84          1HG       GLU  84  -0.228 -10.705 -20.396
  621    HA   PRO  85           HA       PRO  85   2.457 -10.997 -14.132
  622   1HB   PRO  85          2HB       PRO  85   5.104 -10.580 -14.690
  623   2HB   PRO  85          1HB       PRO  85   4.364 -12.194 -14.677
  624   1HG   PRO  85          2HG       PRO  85   5.026 -10.435 -16.985
  625   2HG   PRO  85          1HG       PRO  85   5.179 -12.191 -16.824
  626   1HD   PRO  85          2HD       PRO  85   3.142 -10.979 -18.168
  627   2HD   PRO  85          1HD       PRO  85   2.987 -12.564 -17.376
  628    H    VAL  86           H        VAL  86   3.543  -9.155 -12.944
  629    HA   VAL  86           HA       VAL  86   3.117  -6.578 -14.410
  630    HB   VAL  86           HB       VAL  86   2.985  -7.330 -11.473
  631   1HG1  VAL  86          1HG1      VAL  86   3.471  -4.811 -12.669
  632   2HG1  VAL  86          2HG1      VAL  86   3.064  -5.134 -10.984
  633   3HG1  VAL  86          3HG1      VAL  86   1.785  -4.796 -12.151
  634   1HG2  VAL  86          1HG2      VAL  86   0.913  -6.756 -13.602
  635   2HG2  VAL  86          2HG2      VAL  86   0.540  -6.647 -11.881
  636   3HG2  VAL  86          3HG2      VAL  86   1.052  -8.185 -12.576
  637    HA   PRO  87           HA       PRO  87   7.464  -6.080 -13.595
  638   1HB   PRO  87          2HB       PRO  87   7.797  -3.926 -15.240
  639   2HB   PRO  87          1HB       PRO  87   7.655  -5.584 -15.849
  640   1HG   PRO  87          2HG       PRO  87   5.750  -3.381 -16.018
  641   2HG   PRO  87          1HG       PRO  87   5.814  -4.888 -16.940
  642   1HD   PRO  87          2HD       PRO  87   4.142  -4.224 -14.693
  643   2HD   PRO  87          1HD       PRO  87   4.128  -5.697 -15.687
  644    H    MET  88           H        MET  88   8.615  -3.552 -13.558
  645    HA   MET  88           HA       MET  88   7.079  -2.079 -11.448
  646   1HB   MET  88          2HB       MET  88   9.846  -1.702 -11.034
  647   2HB   MET  88          1HB       MET  88   8.726  -2.559  -9.986
  648   1HG   MET  88          2HG       MET  88   9.517  -4.610 -10.629
  649   2HG   MET  88          1HG       MET  88   9.726  -4.128 -12.305
  650   1HE   MET  88          1HE       MET  88  12.297  -2.043 -12.715
  651   2HE   MET  88          2HE       MET  88  11.233  -3.297 -13.345
  652   3HE   MET  88          3HE       MET  88  12.927  -3.665 -13.031
  653    H    SER  89           H        SER  89   8.324  -1.933 -14.481
  654    HA   SER  89           HA       SER  89   9.361   0.849 -14.185
  655   1HB   SER  89          2HB       SER  89   9.513  -1.198 -16.396
  656   2HB   SER  89          1HB       SER  89  10.242   0.401 -16.465
  657    HG   SER  89           HG       SER  89  11.802  -0.298 -15.246
  658    H    LEU  90           H        LEU  90   7.600   2.157 -14.245
  659    HA   LEU  90           HA       LEU  90   5.195   1.877 -15.690
  660   1HB   LEU  90          2HB       LEU  90   6.817   4.034 -14.483
  661   2HB   LEU  90          1HB       LEU  90   5.704   4.581 -15.738
  662    HG   LEU  90           HG       LEU  90   4.844   2.764 -13.485
  663   1HD1  LEU  90          1HD1      LEU  90   4.809   5.789 -13.652
  664   2HD1  LEU  90          2HD1      LEU  90   5.635   4.802 -12.446
  665   3HD1  LEU  90          3HD1      LEU  90   3.872   4.861 -12.480
  666   1HD2  LEU  90          1HD2      LEU  90   2.745   4.382 -14.381
  667   2HD2  LEU  90          2HD2      LEU  90   2.991   2.681 -14.775
  668   3HD2  LEU  90          3HD2      LEU  90   3.611   3.934 -15.851
  669    HA   PRO  91           HA       PRO  91   7.200   2.054 -19.738
  670   1HB   PRO  91          2HB       PRO  91   5.019   1.123 -21.117
  671   2HB   PRO  91          1HB       PRO  91   6.172   0.060 -20.283
  672   1HG   PRO  91          2HG       PRO  91   3.488   0.988 -19.410
  673   2HG   PRO  91          1HG       PRO  91   4.250  -0.594 -19.213
  674   1HD   PRO  91          2HD       PRO  91   4.085   1.244 -17.213
  675   2HD   PRO  91          1HD       PRO  91   5.391   0.046 -17.332
  676    HA   PRO  92           HA       PRO  92   5.574   5.834 -21.192
  677   1HB   PRO  92          2HB       PRO  92   5.912   5.630 -23.901
  678   2HB   PRO  92          1HB       PRO  92   7.261   5.855 -22.767
  679   1HG   PRO  92          2HG       PRO  92   6.317   3.381 -24.120
  680   2HG   PRO  92          1HG       PRO  92   7.965   3.908 -23.747
  681   1HD   PRO  92          2HD       PRO  92   6.593   2.036 -22.293
  682   2HD   PRO  92          1HD       PRO  92   7.901   3.042 -21.636
  683    H    ALA  93           H        ALA  93   4.197   2.911 -22.575
  684    HA   ALA  93           HA       ALA  93   1.915   4.336 -23.766
  685   1HB   ALA  93          1HB       ALA  93   1.362   1.608 -23.641
  686   2HB   ALA  93          2HB       ALA  93   3.124   1.668 -23.729
  687   3HB   ALA  93          3HB       ALA  93   2.153   2.433 -24.987
  688    H    LEU  94           H        LEU  94   2.742   3.796 -20.652
  689    HA   LEU  94           HA       LEU  94  -0.050   3.101 -19.814
  690   1HB   LEU  94          2HB       LEU  94   2.707   2.528 -18.789
  691   2HB   LEU  94          1HB       LEU  94   1.388   2.612 -17.623
  692    HG   LEU  94           HG       LEU  94   1.798   0.302 -18.507
  693   1HD1  LEU  94          1HD1      LEU  94  -0.639  -0.078 -19.122
  694   2HD1  LEU  94          2HD1      LEU  94  -0.848   1.671 -19.046
  695   3HD1  LEU  94          3HD1      LEU  94  -0.371   0.781 -17.607
  696   1HD2  LEU  94          1HD2      LEU  94   0.622   1.356 -21.081
  697   2HD2  LEU  94          2HD2      LEU  94   1.355  -0.218 -20.791
  698   3HD2  LEU  94          3HD2      LEU  94   2.360   1.233 -20.843
  699    H    VAL  95           H        VAL  95   2.025   5.708 -20.079
  700    HA   VAL  95           HA       VAL  95   1.054   6.965 -17.552
  701    HB   VAL  95           HB       VAL  95   3.006   8.434 -17.900
  702   1HG1  VAL  95          1HG1      VAL  95   3.464   6.491 -16.608
  703   2HG1  VAL  95          2HG1      VAL  95   4.766   6.574 -17.794
  704   3HG1  VAL  95          3HG1      VAL  95   3.428   5.449 -18.030
  705   1HG2  VAL  95          1HG2      VAL  95   2.933   8.348 -20.401
  706   2HG2  VAL  95          2HG2      VAL  95   3.551   6.698 -20.324
  707   3HG2  VAL  95          3HG2      VAL  95   4.541   8.037 -19.748
  708    HA   PRO  96           HA       PRO  96  -1.479   9.626 -20.022
  709   1HB   PRO  96          2HB       PRO  96  -1.963  11.505 -18.080
  710   2HB   PRO  96          1HB       PRO  96  -2.768   9.924 -18.116
  711   1HG   PRO  96          2HG       PRO  96  -0.441  10.827 -16.487
  712   2HG   PRO  96          1HG       PRO  96  -1.817   9.813 -16.022
  713   1HD   PRO  96          2HD       PRO  96   0.629   8.797 -16.603
  714   2HD   PRO  96          1HD       PRO  96  -0.882   7.904 -16.903
  715    HA   PRO  97           HA       PRO  97   1.104  12.938 -21.326
  716   1HB   PRO  97          2HB       PRO  97  -0.536  15.126 -21.487
  717   2HB   PRO  97          1HB       PRO  97  -0.607  13.772 -22.634
  718   1HG   PRO  97          2HG       PRO  97  -2.347  14.357 -20.289
  719   2HG   PRO  97          1HG       PRO  97  -2.783  13.737 -21.890
  720   1HD   PRO  97          2HD       PRO  97  -2.570  12.152 -19.695
  721   2HD   PRO  97          1HD       PRO  97  -2.245  11.572 -21.343
  722    H    SER  98           H        SER  98  -0.409  13.170 -18.262
  723    HA   SER  98           HA       SER  98   0.841  15.697 -17.462
  724   1HB   SER  98          2HB       SER  98  -1.328  14.434 -16.627
  725   2HB   SER  98          1HB       SER  98  -0.190  13.590 -15.580
  726    HG   SER  98           HG       SER  98  -0.820  16.339 -15.708
  727    H    LYS  99           H        LYS  99   1.854  12.470 -17.813
  728    HA   LYS  99           HA       LYS  99   3.943  12.605 -15.722
  729   1HB   LYS  99          2HB       LYS  99   2.963  10.471 -15.980
  730   2HB   LYS  99          1HB       LYS  99   2.913  10.608 -17.736
  731   1HG   LYS  99          2HG       LYS  99   4.677   9.047 -17.122
  732   2HG   LYS  99          1HG       LYS  99   5.414  10.512 -17.769
  733   1HD   LYS  99          2HD       LYS  99   6.098  11.257 -15.644
  734   2HD   LYS  99          1HD       LYS  99   4.949  10.212 -14.808
  735   1HE   LYS  99          2HE       LYS  99   6.247   8.219 -15.678
  736   2HE   LYS  99          1HE       LYS  99   7.474   9.358 -16.263
  737   1HZ   LYS  99          1HZ       LYS  99   8.284   9.318 -14.200
  738   2HZ   LYS  99          2HZ       LYS  99   6.923   8.511 -13.582
  739   3HZ   LYS  99          3HZ       LYS  99   6.919  10.205 -13.725
  740    H    ARG 100           H        ARG 100   3.524  13.753 -18.861
  741    HA   ARG 100           HA       ARG 100   6.242  13.240 -19.852
  742   1HB   ARG 100          2HB       ARG 100   3.729  14.597 -20.725
  743   2HB   ARG 100          1HB       ARG 100   5.230  15.078 -21.515
  744   1HG   ARG 100          2HG       ARG 100   4.085  13.205 -22.699
  745   2HG   ARG 100          1HG       ARG 100   5.694  12.764 -22.129
  746   1HD   ARG 100          2HD       ARG 100   4.677  11.703 -20.120
  747   2HD   ARG 100          1HD       ARG 100   3.066  12.088 -20.761
  748    HE   ARG 100           HE       ARG 100   3.337  10.282 -22.250
  749   1HH1  ARG 100          1HH2      ARG 100   6.097  10.276 -20.428
  750   2HH1  ARG 100          2HH2      ARG 100   7.150   9.665 -21.661
  751   1HH2  ARG 100          2HH1      ARG 100   4.823  10.030 -24.205
  752   2HH2  ARG 100          1HH1      ARG 100   6.429   9.525 -23.796
  753    H    SER 107           1H       SER 107   8.592   3.428  -4.172
  754    HA   SER 107           HA       SER 107   9.532   2.541  -2.133
  755   1HB   SER 107          2HB       SER 107   9.938   4.820  -2.344
  756   2HB   SER 107          1HB       SER 107   8.224   5.228  -2.353
  757    HG   SER 107           HG       SER 107   9.425   4.095  -0.070
  758    H    THR 108           H        THR 108   8.960   1.210  -0.481
  759    HA   THR 108           HA       THR 108   7.760   0.313   1.339
  760    HB   THR 108           HB       THR 108   6.344   2.993   1.236
  761    HG1  THR 108           HG1      THR 108   8.604   2.403   2.794
  762   1HG2  THR 108          1HG2      THR 108   5.693   0.923   2.786
  763   2HG2  THR 108          2HG2      THR 108   5.661   2.578   3.394
  764   3HG2  THR 108          3HG2      THR 108   7.040   1.536   3.744
  765    H    ASN 109           H        ASN 109   5.324   2.319  -0.395
  766    HA   ASN 109           HA       ASN 109   3.248   1.698  -1.355
  767   1HB   ASN 109          2HB       ASN 109   4.473  -1.054  -1.339
  768   2HB   ASN 109          1HB       ASN 109   3.302  -0.402  -2.478
  769   1HD2  ASN 109          1HD2      ASN 109   5.257  -1.343  -3.860
  770   2HD2  ASN 109          2HD2      ASN 109   6.451  -0.216  -4.287
  771    HA   PRO 110           HA       PRO 110   1.158   0.086   2.200
  772   1HB   PRO 110          2HB       PRO 110  -1.326  -0.333   1.120
  773   2HB   PRO 110          1HB       PRO 110  -0.708   1.274   1.544
  774   1HG   PRO 110          2HG       PRO 110  -0.923  -0.032  -1.098
  775   2HG   PRO 110          1HG       PRO 110  -1.107   1.668  -0.664
  776   1HD   PRO 110          2HD       PRO 110   1.149   0.609  -1.840
  777   2HD   PRO 110          1HD       PRO 110   1.120   2.099  -0.876
  778    H    PHE 111           H        PHE 111   2.008  -1.702  -0.509
  779    HA   PHE 111           HA       PHE 111   0.836  -4.245   0.567
  780   1HB   PHE 111          2HB       PHE 111   2.295  -3.995  -2.059
  781   2HB   PHE 111          1HB       PHE 111   0.985  -5.089  -1.623
  782    HD1  PHE 111           HD1      PHE 111   1.792  -1.528  -2.325
  783    HD2  PHE 111           HD2      PHE 111  -1.296  -4.509  -2.059
  784    HE1  PHE 111           HE1      PHE 111   0.160   0.059  -3.278
  785    HE2  PHE 111           HE2      PHE 111  -2.915  -2.909  -3.020
  786    HZ   PHE 111           HZ       PHE 111  -2.184  -0.619  -3.624
  787    H    ARG 112           HN       ARG 112   3.809  -3.310  -1.155
  788    HA   ARG 112           HA       ARG 112   5.544  -5.290  -0.298
  789   1HB   ARG 112          2HB       ARG 112   5.728  -2.431  -1.077
  790   2HB   ARG 112          1HB       ARG 112   7.155  -3.102  -0.288
  791   1HG   ARG 112          2HG       ARG 112   6.071  -4.941  -2.267
  792   2HG   ARG 112          1HG       ARG 112   6.472  -3.381  -2.985
  793   1HD   ARG 112          2HD       ARG 112   8.636  -3.876  -1.303
  794   2HD   ARG 112          1HD       ARG 112   8.273  -5.466  -2.004
  795    HE   ARG 112           HE       ARG 112   8.688  -3.000  -3.656
  796   1HH1  ARG 112          1HH2      ARG 112   7.789  -6.224  -3.807
  797   2HH1  ARG 112          2HH2      ARG 112   8.934  -6.672  -5.026
  798   1HH2  ARG 112          1HH1      ARG 112  10.616  -3.641  -4.936
  799   2HH2  ARG 112          2HH1      ARG 112  10.535  -5.210  -5.666
  Start of MODEL   10
    1    HA   PRO   6           HA       PRO   6  -2.718   6.725 -26.840
    2   1HB   PRO   6          1HB       PRO   6  -3.401   5.285 -28.512
    3   2HB   PRO   6          2HB       PRO   6  -3.293   4.076 -27.217
    4   1HG   PRO   6          2HG       PRO   6  -1.270   3.288 -27.960
    5   2HG   PRO   6          1HG       PRO   6  -1.912   3.857 -29.508
    6   1HD   PRO   6          2HD       PRO   6   0.460   4.703 -28.431
    7   2HD   PRO   6          1HD       PRO   6  -0.513   5.659 -29.570
    8    H    TRP   7           H        TRP   7  -3.678   5.846 -24.886
    9    HA   TRP   7           HA       TRP   7  -1.696   4.993 -22.874
   10   1HB   TRP   7          2HB       TRP   7  -3.377   6.752 -22.468
   11   2HB   TRP   7          1HB       TRP   7  -4.673   5.603 -22.795
   12    HD1  TRP   7           HD1      TRP   7  -1.710   4.303 -20.883
   13    HE1  TRP   7           HE1      TRP   7  -2.379   3.904 -18.423
   14    HE3  TRP   7           HE3      TRP   7  -6.289   6.541 -20.854
   15    HZ2  TRP   7           HZ2      TRP   7  -4.579   4.467 -16.675
   16    HZ3  TRP   7           HZ3      TRP   7  -7.652   6.600 -18.790
   17    HH2  TRP   7           HH2      TRP   7  -6.806   5.568 -16.699
   18    H    ALA   8           H        ALA   8  -1.476   2.881 -22.220
   19    HA   ALA   8           HA       ALA   8  -2.477   0.641 -23.523
   20   1HB   ALA   8          1HB       ALA   8  -1.935  -0.515 -21.348
   21   2HB   ALA   8          2HB       ALA   8  -1.750   1.078 -20.616
   22   3HB   ALA   8          3HB       ALA   8  -0.668   0.573 -21.915
   23    H    VAL   9           H        VAL   9  -4.107   2.578 -21.074
   24    HA   VAL   9           HA       VAL   9  -6.247   0.555 -20.758
   25    HB   VAL   9           HB       VAL   9  -5.660   3.275 -19.567
   26   1HG1  VAL   9          1HG1      VAL   9  -7.898   1.365 -18.836
   27   2HG1  VAL   9          2HG1      VAL   9  -8.122   2.837 -19.781
   28   3HG1  VAL   9          3HG1      VAL   9  -7.572   2.939 -18.108
   29   1HG2  VAL   9          1HG2      VAL   9  -5.693   0.478 -18.379
   30   2HG2  VAL   9          2HG2      VAL   9  -5.252   1.961 -17.532
   31   3HG2  VAL   9          3HG2      VAL   9  -4.237   1.362 -18.844
   32    H    LYS  10           H        LYS  10  -8.380   0.883 -21.444
   33    HA   LYS  10           HA       LYS  10  -8.740   2.952 -23.569
   34   1HB   LYS  10          2HB       LYS  10  -9.578   0.172 -23.031
   35   2HB   LYS  10          1HB       LYS  10 -10.859   1.191 -23.686
   36   1HG   LYS  10          2HG       LYS  10  -8.766   1.920 -25.277
   37   2HG   LYS  10          1HG       LYS  10  -8.377   0.227 -24.971
   38   1HD   LYS  10          2HD       LYS  10 -10.754  -0.339 -25.617
   39   2HD   LYS  10          1HD       LYS  10 -10.940   1.335 -26.137
   40   1HE   LYS  10          2HE       LYS  10  -8.721  -0.454 -27.172
   41   2HE   LYS  10          1HE       LYS  10 -10.282  -0.271 -27.995
   42   1HZ   LYS  10          1HZ       LYS  10  -8.388   1.905 -27.281
   43   2HZ   LYS  10          2HZ       LYS  10  -9.946   2.155 -27.910
   44   3HZ   LYS  10          3HZ       LYS  10  -8.765   1.369 -28.844
   45    HA   PRO  11           HA       PRO  11 -11.893   5.076 -21.359
   46   1HB   PRO  11          2HB       PRO  11 -14.083   5.062 -23.013
   47   2HB   PRO  11          1HB       PRO  11 -12.647   6.064 -23.310
   48   1HG   PRO  11          2HG       PRO  11 -13.410   3.443 -24.513
   49   2HG   PRO  11          1HG       PRO  11 -12.707   4.875 -25.285
   50   1HD   PRO  11          2HD       PRO  11 -11.225   2.715 -24.642
   51   2HD   PRO  11          1HD       PRO  11 -10.568   4.367 -24.594
   52    H    GLU  12           H        GLU  12 -12.998   2.005 -22.753
   53    HA   GLU  12           HA       GLU  12 -15.234   1.674 -20.921
   54   1HB   GLU  12          2HB       GLU  12 -15.303  -0.561 -21.945
   55   2HB   GLU  12          1HB       GLU  12 -15.025   0.657 -23.191
   56   1HG   GLU  12          2HG       GLU  12 -12.663   0.174 -23.241
   57   2HG   GLU  12          1HG       GLU  12 -12.796  -0.877 -21.831
   58    H    ASP  13           H        ASP  13 -11.817   0.832 -20.899
   59    HA   ASP  13           HA       ASP  13 -12.051  -0.972 -18.595
   60   1HB   ASP  13          2HB       ASP  13  -9.741   0.308 -20.097
   61   2HB   ASP  13          1HB       ASP  13  -9.535  -0.882 -18.809
   62    H    LYS  14           H        LYS  14 -11.221   2.390 -19.255
   63    HA   LYS  14           HA       LYS  14 -10.326   2.941 -16.533
   64   1HB   LYS  14          2HB       LYS  14  -9.833   4.090 -18.869
   65   2HB   LYS  14          1HB       LYS  14 -11.278   5.024 -18.471
   66   1HG   LYS  14          2HG       LYS  14  -9.051   4.684 -16.467
   67   2HG   LYS  14          1HG       LYS  14  -8.990   5.955 -17.688
   68   1HD   LYS  14          2HD       LYS  14 -11.451   6.439 -16.859
   69   2HD   LYS  14          1HD       LYS  14 -10.892   5.621 -15.398
   70   1HE   LYS  14          2HE       LYS  14  -9.365   7.292 -14.886
   71   2HE   LYS  14          1HE       LYS  14  -9.144   7.751 -16.586
   72   1HZ   LYS  14          1HZ       LYS  14 -10.502   9.419 -15.661
   73   2HZ   LYS  14          2HZ       LYS  14 -11.476   8.294 -14.839
   74   3HZ   LYS  14          3HZ       LYS  14 -11.560   8.420 -16.530
   75    H    ALA  15           H        ALA  15 -13.338   2.576 -18.094
   76    HA   ALA  15           HA       ALA  15 -14.876   4.415 -16.408
   77   1HB   ALA  15          1HB       ALA  15 -15.232   3.154 -18.821
   78   2HB   ALA  15          2HB       ALA  15 -16.541   3.870 -17.882
   79   3HB   ALA  15          3HB       ALA  15 -16.209   2.142 -17.756
   80    H    LYS  16           H        LYS  16 -14.239   0.909 -16.565
   81    HA   LYS  16           HA       LYS  16 -15.858   0.302 -14.228
   82   1HB   LYS  16          2HB       LYS  16 -15.331  -1.861 -14.814
   83   2HB   LYS  16          1HB       LYS  16 -14.832  -1.094 -16.318
   84   1HG   LYS  16          2HG       LYS  16 -12.535  -1.004 -15.578
   85   2HG   LYS  16          1HG       LYS  16 -12.988  -1.585 -13.975
   86   1HD   LYS  16          2HD       LYS  16 -12.163  -3.506 -15.107
   87   2HD   LYS  16          1HD       LYS  16 -13.918  -3.659 -15.171
   88   1HE   LYS  16          2HE       LYS  16 -13.163  -2.117 -17.439
   89   2HE   LYS  16          1HE       LYS  16 -12.072  -3.515 -17.372
   90   1HZ   LYS  16          1HZ       LYS  16 -15.028  -3.632 -17.089
   91   2HZ   LYS  16          2HZ       LYS  16 -13.969  -4.958 -17.048
   92   3HZ   LYS  16          3HZ       LYS  16 -14.166  -4.068 -18.482
   93    H    TYR  17           H        TYR  17 -12.596   1.360 -14.861
   94    HA   TYR  17           HA       TYR  17 -11.470   0.704 -12.254
   95   1HB   TYR  17          2HB       TYR  17 -10.723   2.729 -14.402
   96   2HB   TYR  17          1HB       TYR  17  -9.693   2.285 -13.046
   97    HD1  TYR  17           HD1      TYR  17 -11.455  -0.602 -13.861
   98    HD2  TYR  17           HD2      TYR  17  -8.276   1.872 -15.339
   99    HE1  TYR  17           HE1      TYR  17 -10.585  -2.510 -15.177
  100    HE2  TYR  17           HE2      TYR  17  -7.389  -0.040 -16.648
  101    HH   TYR  17           HH       TYR  17  -9.158  -2.787 -17.289
  102    H    ASP  18           H        ASP  18 -13.104   3.454 -13.744
  103    HA   ASP  18           HA       ASP  18 -12.696   5.326 -11.575
  104   1HB   ASP  18          2HB       ASP  18 -13.336   5.661 -14.072
  105   2HB   ASP  18          1HB       ASP  18 -14.983   5.305 -13.552
  106    H    ALA  19           H        ALA  19 -14.942   2.719 -12.166
  107    HA   ALA  19           HA       ALA  19 -16.936   3.615 -10.218
  108   1HB   ALA  19          1HB       ALA  19 -16.407   1.311 -12.031
  109   2HB   ALA  19          2HB       ALA  19 -17.902   2.212 -11.775
  110   3HB   ALA  19          3HB       ALA  19 -17.406   0.976 -10.617
  111    H    ILE  20           H        ILE  20 -14.138   1.471 -10.350
  112    HA   ILE  20           HA       ILE  20 -14.492   0.445  -7.644
  113    HB   ILE  20           HB       ILE  20 -12.289   0.407  -9.729
  114   1HG1  ILE  20          2HG1      ILE  20 -13.852  -1.958  -8.721
  115   2HG1  ILE  20          1HG1      ILE  20 -14.567  -0.887  -9.927
  116   1HG2  ILE  20          1HG2      ILE  20 -10.966  -0.915  -8.350
  117   2HG2  ILE  20          2HG2      ILE  20 -12.325  -1.397  -7.335
  118   3HG2  ILE  20          3HG2      ILE  20 -11.645   0.222  -7.186
  119   1HD1  ILE  20          1HD1      ILE  20 -12.360  -1.181 -11.233
  120   2HD1  ILE  20          2HD1      ILE  20 -13.470  -2.552 -11.206
  121   3HD1  ILE  20          3HD1      ILE  20 -12.054  -2.544 -10.155
  122    H    PHE  21           H        PHE  21 -12.783   3.014  -9.308
  123    HA   PHE  21           HA       PHE  21 -11.132   3.787  -7.049
  124   1HB   PHE  21          2HB       PHE  21 -10.170   4.510  -9.007
  125   2HB   PHE  21          1HB       PHE  21 -11.721   4.615  -9.831
  126    HD1  PHE  21           HD1      PHE  21  -9.113   6.456  -8.166
  127    HD2  PHE  21           HD2      PHE  21 -13.262   6.581  -9.269
  128    HE1  PHE  21           HE1      PHE  21  -9.118   8.920  -7.870
  129    HE2  PHE  21           HE2      PHE  21 -13.268   9.042  -8.973
  130    HZ   PHE  21           HZ       PHE  21 -11.196  10.211  -8.274
  131    H    ASP  22           H        ASP  22 -14.223   4.753  -8.434
  132    HA   ASP  22           HA       ASP  22 -14.627   6.876  -6.416
  133   1HB   ASP  22          2HB       ASP  22 -15.282   7.198  -8.768
  134   2HB   ASP  22          1HB       ASP  22 -16.325   5.780  -8.682
  135    H    SER  23           H        SER  23 -14.820   3.599  -6.341
  136    HA   SER  23           HA       SER  23 -17.425   3.381  -4.936
  137   1HB   SER  23          2HB       SER  23 -15.434   1.640  -6.249
  138   2HB   SER  23          1HB       SER  23 -16.139   0.946  -4.791
  139    HG   SER  23           HG       SER  23 -18.195   1.357  -5.686
  140    H    LEU  24           H        LEU  24 -14.204   4.105  -4.258
  141    HA   LEU  24           HA       LEU  24 -14.335   3.116  -1.441
  142   1HB   LEU  24          2HB       LEU  24 -11.943   4.461  -2.639
  143   2HB   LEU  24          1HB       LEU  24 -12.009   3.101  -1.524
  144    HG   LEU  24           HG       LEU  24 -12.918   2.848  -4.393
  145   1HD1  LEU  24          1HD1      LEU  24 -10.293   1.731  -3.768
  146   2HD1  LEU  24          2HD1      LEU  24 -10.322   3.489  -3.628
  147   3HD1  LEU  24          3HD1      LEU  24 -10.792   2.714  -5.143
  148   1HD2  LEU  24          1HD2      LEU  24 -12.880   1.158  -2.102
  149   2HD2  LEU  24          2HD2      LEU  24 -11.665   0.549  -3.227
  150   3HD2  LEU  24          3HD2      LEU  24 -13.340   0.729  -3.750
  151    H    SER  25           H        SER  25 -14.863   5.802  -3.384
  152    HA   SER  25           HA       SER  25 -15.618   7.967  -2.703
  153   1HB   SER  25          2HB       SER  25 -15.530   6.711  -0.327
  154   2HB   SER  25          1HB       SER  25 -14.177   7.816  -0.114
  155    HG   SER  25           HG       SER  25 -16.896   8.376  -0.615
  156    HA   PRO  26           HA       PRO  26 -11.507   9.152  -4.114
  157   1HB   PRO  26          2HB       PRO  26 -12.447  11.113  -5.772
  158   2HB   PRO  26          1HB       PRO  26 -12.416   9.397  -6.227
  159   1HG   PRO  26          2HG       PRO  26 -14.683  11.046  -5.225
  160   2HG   PRO  26          1HG       PRO  26 -14.663   9.818  -6.501
  161   1HD   PRO  26          2HD       PRO  26 -15.592   9.325  -3.995
  162   2HD   PRO  26          1HD       PRO  26 -14.835   8.077  -5.006
  163    H    VAL  27           H        VAL  27 -10.253  10.908  -3.500
  164    HA   VAL  27           HA       VAL  27 -11.597  12.989  -1.814
  165    HB   VAL  27           HB       VAL  27  -8.836  11.724  -1.710
  166   1HG1  VAL  27          1HG1      VAL  27  -8.649  14.016  -0.992
  167   2HG1  VAL  27          2HG1      VAL  27  -8.679  13.015   0.459
  168   3HG1  VAL  27          3HG1      VAL  27 -10.126  13.893  -0.035
  169   1HG2  VAL  27          1HG2      VAL  27  -9.673  10.299  -0.147
  170   2HG2  VAL  27          2HG2      VAL  27 -11.254  10.738  -0.795
  171   3HG2  VAL  27          3HG2      VAL  27 -10.620  11.570   0.626
  172    H    ASN  28           H        ASN  28 -11.840  14.565  -3.476
  173    HA   ASN  28           HA       ASN  28 -11.101  16.356  -4.832
  174   1HB   ASN  28          2HB       ASN  28  -9.526  16.485  -2.813
  175   2HB   ASN  28          1HB       ASN  28  -8.348  15.623  -3.802
  176   1HD2  ASN  28          1HD2      ASN  28  -7.902  16.687  -6.020
  177   2HD2  ASN  28          2HD2      ASN  28  -7.885  18.384  -6.073
  178    H    GLY  29           H        GLY  29 -10.922  13.343  -5.565
  179   1HA   GLY  29          2HA       GLY  29 -10.626  12.471  -7.788
  180   2HA   GLY  29          1HA       GLY  29  -9.500  13.786  -8.128
  181    H    PHE  30           H        PHE  30  -9.375  11.772  -5.239
  182    HA   PHE  30           HA       PHE  30  -7.068  10.258  -6.320
  183   1HB   PHE  30          2HB       PHE  30  -7.001  12.238  -4.037
  184   2HB   PHE  30          1HB       PHE  30  -5.726  11.043  -4.305
  185    HD1  PHE  30           HD1      PHE  30  -7.200  14.170  -5.416
  186    HD2  PHE  30           HD2      PHE  30  -4.479  11.021  -6.455
  187    HE1  PHE  30           HE1      PHE  30  -6.219  15.611  -7.168
  188    HE2  PHE  30           HE2      PHE  30  -3.478  12.469  -8.213
  189    HZ   PHE  30           HZ       PHE  30  -4.349  14.767  -8.570
  190    H    LEU  31           H        LEU  31  -6.683   8.349  -5.251
  191    HA   LEU  31           HA       LEU  31  -8.567   7.651  -3.013
  192   1HB   LEU  31          2HB       LEU  31  -7.344   6.133  -5.317
  193   2HB   LEU  31          1HB       LEU  31  -7.860   5.263  -3.873
  194    HG   LEU  31           HG       LEU  31  -9.559   6.906  -5.752
  195   1HD1  LEU  31          1HD1      LEU  31  -9.570   4.752  -6.559
  196   2HD1  LEU  31          2HD1      LEU  31 -10.829   4.579  -5.334
  197   3HD1  LEU  31          3HD1      LEU  31  -9.179   4.054  -4.983
  198   1HD2  LEU  31          1HD2      LEU  31 -11.399   6.150  -4.060
  199   2HD2  LEU  31          2HD2      LEU  31 -10.429   7.567  -3.653
  200   3HD2  LEU  31          3HD2      LEU  31 -10.065   6.006  -2.912
  201    H    SER  32           H        SER  32  -7.570   6.577  -1.194
  202    HA   SER  32           HA       SER  32  -4.629   7.014  -1.080
  203   1HB   SER  32          2HB       SER  32  -4.959   7.136   1.267
  204   2HB   SER  32          1HB       SER  32  -6.388   7.913   0.590
  205    HG   SER  32           HG       SER  32  -7.155   5.530   0.661
  206    H    GLY  33           H        GLY  33  -3.209   5.372  -0.620
  207   1HA   GLY  33          2HA       GLY  33  -3.533   2.825  -1.609
  208   2HA   GLY  33          1HA       GLY  33  -2.478   3.156  -0.235
  209    H    ASP  34           H        ASP  34  -4.799   4.070   1.398
  210    HA   ASP  34           HA       ASP  34  -5.435   1.591   2.690
  211   1HB   ASP  34          2HB       ASP  34  -6.800   4.300   2.796
  212   2HB   ASP  34          1HB       ASP  34  -6.906   3.040   4.027
  213    H    LYS  35           H        LYS  35  -6.953   3.332   0.044
  214    HA   LYS  35           HA       LYS  35  -9.400   1.650   0.237
  215   1HB   LYS  35          2HB       LYS  35  -8.590   4.025  -1.470
  216   2HB   LYS  35          1HB       LYS  35 -10.177   3.257  -1.514
  217   1HG   LYS  35          2HG       LYS  35 -10.184   3.665   1.061
  218   2HG   LYS  35          1HG       LYS  35  -8.909   4.832   0.714
  219   1HD   LYS  35          2HD       LYS  35 -10.445   5.888  -0.984
  220   2HD   LYS  35          1HD       LYS  35 -11.725   4.824  -0.398
  221   1HE   LYS  35          2HE       LYS  35 -11.697   5.815   1.778
  222   2HE   LYS  35          1HE       LYS  35 -10.166   6.652   1.452
  223   1HZ   LYS  35          1HZ       LYS  35 -12.504   7.826   1.102
  224   2HZ   LYS  35          2HZ       LYS  35 -12.352   7.098  -0.427
  225   3HZ   LYS  35          3HZ       LYS  35 -11.161   8.175   0.126
  226    H    VAL  36           H        VAL  36  -6.546   2.291  -1.721
  227    HA   VAL  36           HA       VAL  36  -7.370   0.555  -3.933
  228    HB   VAL  36           HB       VAL  36  -4.742   1.791  -3.084
  229   1HG1  VAL  36          1HG1      VAL  36  -5.184  -0.265  -4.918
  230   2HG1  VAL  36          2HG1      VAL  36  -3.752   0.754  -4.820
  231   3HG1  VAL  36          3HG1      VAL  36  -5.069   1.188  -5.909
  232   1HG2  VAL  36          1HG2      VAL  36  -6.498   2.667  -5.370
  233   2HG2  VAL  36          2HG2      VAL  36  -5.277   3.593  -4.498
  234   3HG2  VAL  36          3HG2      VAL  36  -6.822   3.230  -3.730
  235    H    LYS  37           H        LYS  37  -5.100   0.315  -1.187
  236    HA   LYS  37           HA       LYS  37  -3.795  -2.050  -1.649
  237   1HB   LYS  37          2HB       LYS  37  -3.343  -0.895   0.353
  238   2HB   LYS  37          1HB       LYS  37  -5.041  -0.864   0.824
  239   1HG   LYS  37          2HG       LYS  37  -4.929  -2.917   1.792
  240   2HG   LYS  37          1HG       LYS  37  -3.959  -3.581   0.476
  241   1HD   LYS  37          2HD       LYS  37  -1.936  -2.713   1.400
  242   2HD   LYS  37          1HD       LYS  37  -2.812  -1.685   2.535
  243   1HE   LYS  37          2HE       LYS  37  -2.827  -3.358   4.061
  244   2HE   LYS  37          1HE       LYS  37  -3.642  -4.429   2.904
  245   1HZ   LYS  37          1HZ       LYS  37  -1.478  -4.804   1.834
  246   2HZ   LYS  37          2HZ       LYS  37  -1.485  -5.331   3.450
  247   3HZ   LYS  37          3HZ       LYS  37  -0.724  -3.871   3.033
  248    HA   PRO  38           HA       PRO  38  -7.473  -4.709  -0.083
  249   1HB   PRO  38          2HB       PRO  38  -9.926  -3.483   0.020
  250   2HB   PRO  38          1HB       PRO  38  -8.826  -3.573   1.411
  251   1HG   PRO  38          2HG       PRO  38  -9.285  -1.329  -0.499
  252   2HG   PRO  38          1HG       PRO  38  -9.079  -1.287   1.260
  253   1HD   PRO  38          2HD       PRO  38  -7.082  -0.645  -0.430
  254   2HD   PRO  38          1HD       PRO  38  -6.781  -1.442   1.132
  255    H    VAL  39           H        VAL  39  -8.121  -2.131  -2.382
  256    HA   VAL  39           HA       VAL  39  -9.884  -3.555  -4.140
  257    HB   VAL  39           HB       VAL  39  -8.050  -1.168  -4.229
  258   1HG1  VAL  39          1HG1      VAL  39  -8.523  -2.665  -6.543
  259   2HG1  VAL  39          2HG1      VAL  39  -8.020  -0.979  -6.472
  260   3HG1  VAL  39          3HG1      VAL  39  -9.731  -1.385  -6.598
  261   1HG2  VAL  39          1HG2      VAL  39 -10.159   0.023  -4.541
  262   2HG2  VAL  39          2HG2      VAL  39 -10.292  -1.059  -3.156
  263   3HG2  VAL  39          3HG2      VAL  39 -11.027  -1.505  -4.696
  264    H    LEU  40           H        LEU  40  -6.393  -3.459  -3.708
  265    HA   LEU  40           HA       LEU  40  -5.897  -5.003  -6.191
  266   1HB   LEU  40          2HB       LEU  40  -4.073  -4.002  -3.983
  267   2HB   LEU  40          1HB       LEU  40  -3.570  -4.562  -5.580
  268    HG   LEU  40           HG       LEU  40  -5.515  -2.285  -5.188
  269   1HD1  LEU  40          1HD1      LEU  40  -3.632  -1.325  -4.279
  270   2HD1  LEU  40          2HD1      LEU  40  -3.343  -1.001  -5.987
  271   3HD1  LEU  40          3HD1      LEU  40  -2.527  -2.349  -5.195
  272   1HD2  LEU  40          1HD2      LEU  40  -4.549  -1.829  -7.551
  273   2HD2  LEU  40          2HD2      LEU  40  -5.706  -3.147  -7.360
  274   3HD2  LEU  40          3HD2      LEU  40  -3.978  -3.496  -7.469
  275    H    LEU  41           H        LEU  41  -6.128  -5.458  -2.727
  276    HA   LEU  41           HA       LEU  41  -4.781  -8.026  -2.628
  277   1HB   LEU  41          2HB       LEU  41  -6.707  -6.499  -0.863
  278   2HB   LEU  41          1HB       LEU  41  -6.034  -8.060  -0.397
  279    HG   LEU  41           HG       LEU  41  -4.315  -5.711  -1.212
  280   1HD1  LEU  41          1HD1      LEU  41  -5.081  -6.633   1.572
  281   2HD1  LEU  41          2HD1      LEU  41  -5.674  -5.165   0.795
  282   3HD1  LEU  41          3HD1      LEU  41  -3.959  -5.327   1.186
  283   1HD2  LEU  41          1HD2      LEU  41  -2.542  -7.070  -0.722
  284   2HD2  LEU  41          2HD2      LEU  41  -3.706  -8.357  -1.044
  285   3HD2  LEU  41          3HD2      LEU  41  -3.387  -7.851   0.615
  286    H    ASN  42           H        ASN  42  -7.758  -6.971  -3.884
  287    HA   ASN  42           HA       ASN  42  -9.201  -9.470  -3.283
  288   1HB   ASN  42          2HB       ASN  42  -9.750  -6.752  -4.216
  289   2HB   ASN  42          1HB       ASN  42 -10.668  -7.968  -5.106
  290   1HD2  ASN  42          1HD2      ASN  42 -11.314  -5.961  -2.749
  291   2HD2  ASN  42          2HD2      ASN  42 -12.180  -6.939  -1.665
  292    H    SER  43           H        SER  43  -6.933  -8.530  -5.579
  293    HA   SER  43           HA       SER  43  -8.126  -9.897  -7.893
  294   1HB   SER  43          2HB       SER  43  -5.255  -9.293  -7.927
  295   2HB   SER  43          1HB       SER  43  -6.531  -8.717  -8.995
  296    HG   SER  43           HG       SER  43  -5.320  -7.348  -7.159
  297    H    LYS  44           H        LYS  44  -7.051 -11.152  -5.123
  298    HA   LYS  44           HA       LYS  44  -6.277 -13.322  -4.565
  299   1HB   LYS  44          2HB       LYS  44  -7.491 -13.457  -7.070
  300   2HB   LYS  44          1HB       LYS  44  -5.920 -14.216  -7.331
  301   1HG   LYS  44          2HG       LYS  44  -6.813 -16.084  -6.425
  302   2HG   LYS  44          1HG       LYS  44  -6.754 -15.240  -4.878
  303   1HD   LYS  44          2HD       LYS  44  -9.068 -14.733  -6.716
  304   2HD   LYS  44          1HD       LYS  44  -9.043 -16.219  -5.764
  305   1HE   LYS  44          2HE       LYS  44  -9.728 -15.064  -3.943
  306   2HE   LYS  44          1HE       LYS  44  -8.293 -14.023  -4.059
  307   1HZ   LYS  44          1HZ       LYS  44 -10.855 -13.708  -5.531
  308   2HZ   LYS  44          2HZ       LYS  44  -9.449 -12.812  -5.869
  309   3HZ   LYS  44          3HZ       LYS  44 -10.217 -12.657  -4.362
  310    H    LEU  45           H        LEU  45  -4.550 -10.968  -5.986
  311    HA   LEU  45           HA       LEU  45  -2.093 -12.536  -6.559
  312   1HB   LEU  45          2HB       LEU  45  -3.106  -9.739  -6.955
  313   2HB   LEU  45          1HB       LEU  45  -1.366 -10.024  -6.987
  314    HG   LEU  45           HG       LEU  45  -3.428 -11.420  -8.718
  315   1HD1  LEU  45          1HD1      LEU  45  -3.177  -9.377  -9.768
  316   2HD1  LEU  45          2HD1      LEU  45  -1.788 -10.221 -10.454
  317   3HD1  LEU  45          3HD1      LEU  45  -1.567  -9.114  -9.099
  318   1HD2  LEU  45          1HD2      LEU  45  -0.682 -11.733  -9.550
  319   2HD2  LEU  45          2HD2      LEU  45  -1.857 -12.983  -9.142
  320   3HD2  LEU  45          3HD2      LEU  45  -0.853 -12.274  -7.881
  321    HA   PRO  46           HA       PRO  46  -0.346 -11.653  -2.631
  322   1HB   PRO  46          2HB       PRO  46   2.308 -11.674  -3.275
  323   2HB   PRO  46          1HB       PRO  46   1.322 -13.147  -3.217
  324   1HG   PRO  46          2HG       PRO  46   2.253 -11.588  -5.555
  325   2HG   PRO  46          1HG       PRO  46   2.017 -13.333  -5.378
  326   1HD   PRO  46          2HD       PRO  46   0.272 -11.621  -6.654
  327   2HD   PRO  46          1HD       PRO  46  -0.159 -13.217  -6.014
  328    H    VAL  47           H        VAL  47   1.404 -10.053  -1.661
  329    HA   VAL  47           HA       VAL  47   0.700  -7.365  -2.487
  330    HB   VAL  47           HB       VAL  47   2.232  -8.779  -0.375
  331   1HG1  VAL  47          1HG1      VAL  47   3.344  -6.681   0.389
  332   2HG1  VAL  47          2HG1      VAL  47   2.871  -5.913  -1.126
  333   3HG1  VAL  47          3HG1      VAL  47   3.993  -7.272  -1.139
  334   1HG2  VAL  47          1HG2      VAL  47   0.482  -6.306  -0.388
  335   2HG2  VAL  47          2HG2      VAL  47   1.014  -7.187   1.044
  336   3HG2  VAL  47          3HG2      VAL  47  -0.084  -7.952  -0.105
  337    H    ASP  48           H        ASP  48   2.879  -9.603  -3.729
  338    HA   ASP  48           HA       ASP  48   5.089  -7.808  -4.320
  339   1HB   ASP  48          2HB       ASP  48   4.451 -10.578  -4.429
  340   2HB   ASP  48          1HB       ASP  48   4.945 -10.084  -6.046
  341    H    ILE  49           H        ILE  49   2.118  -8.841  -5.841
  342    HA   ILE  49           HA       ILE  49   2.776  -7.576  -8.417
  343    HB   ILE  49           HB       ILE  49   0.078  -8.553  -7.480
  344   1HG1  ILE  49          2HG1      ILE  49   1.603 -10.322  -6.833
  345   2HG1  ILE  49          1HG1      ILE  49   0.797 -10.817  -8.322
  346   1HG2  ILE  49          1HG2      ILE  49  -0.255  -7.858  -9.622
  347   2HG2  ILE  49          2HG2      ILE  49   0.459  -9.420 -10.027
  348   3HG2  ILE  49          3HG2      ILE  49   1.457  -7.964 -10.028
  349   1HD1  ILE  49          1HD1      ILE  49   2.884  -9.580  -9.423
  350   2HD1  ILE  49          2HD1      ILE  49   2.972 -11.268  -8.916
  351   3HD1  ILE  49          3HD1      ILE  49   3.628  -9.999  -7.879
  352    H    LEU  50           H        LEU  50   0.698  -7.070  -5.610
  353    HA   LEU  50           HA       LEU  50  -0.471  -4.587  -6.594
  354   1HB   LEU  50          2HB       LEU  50  -0.252  -5.586  -3.748
  355   2HB   LEU  50          1HB       LEU  50  -1.522  -4.583  -4.447
  356    HG   LEU  50           HG       LEU  50  -0.966  -7.488  -5.100
  357   1HD1  LEU  50          1HD1      LEU  50  -3.239  -7.806  -4.142
  358   2HD1  LEU  50          2HD1      LEU  50  -3.261  -6.099  -3.698
  359   3HD1  LEU  50          3HD1      LEU  50  -2.083  -7.188  -2.960
  360   1HD2  LEU  50          1HD2      LEU  50  -2.120  -5.473  -6.715
  361   2HD2  LEU  50          2HD2      LEU  50  -3.459  -6.445  -6.107
  362   3HD2  LEU  50          3HD2      LEU  50  -2.146  -7.214  -6.999
  363    H    GLY  51           H        GLY  51   2.328  -5.583  -4.727
  364   1HA   GLY  51          2HA       GLY  51   2.942  -2.954  -3.654
  365   2HA   GLY  51          1HA       GLY  51   4.070  -4.311  -3.759
  366    H    ARG  52           H        ARG  52   3.374  -4.620  -6.630
  367    HA   ARG  52           HA       ARG  52   5.222  -2.553  -7.702
  368   1HB   ARG  52          2HB       ARG  52   5.081  -5.302  -7.867
  369   2HB   ARG  52          1HB       ARG  52   4.355  -4.790  -9.389
  370   1HG   ARG  52          2HG       ARG  52   6.398  -3.187  -9.560
  371   2HG   ARG  52          1HG       ARG  52   7.127  -4.248  -8.352
  372   1HD   ARG  52          2HD       ARG  52   5.840  -5.597 -10.677
  373   2HD   ARG  52          1HD       ARG  52   7.356  -4.734 -10.997
  374    HE   ARG  52           HE       ARG  52   8.358  -6.057  -9.106
  375   1HH1  ARG  52          1HH2      ARG  52   7.938  -8.011 -11.243
  376   2HH1  ARG  52          2HH2      ARG  52   7.003  -9.251 -10.477
  377   1HH2  ARG  52          2HH1      ARG  52   6.057  -7.250  -7.805
  378   2HH2  ARG  52          1HH1      ARG  52   5.934  -8.819  -8.528
  379    H    VAL  53           H        VAL  53   1.960  -3.939  -8.128
  380    HA   VAL  53           HA       VAL  53   1.368  -2.507 -10.568
  381    HB   VAL  53           HB       VAL  53  -0.246  -3.801  -8.364
  382   1HG1  VAL  53          1HG1      VAL  53  -1.165  -1.785 -10.176
  383   2HG1  VAL  53          2HG1      VAL  53  -2.121  -2.755  -9.055
  384   3HG1  VAL  53          3HG1      VAL  53  -1.836  -3.329 -10.698
  385   1HG2  VAL  53          1HG2      VAL  53   1.155  -4.896 -10.403
  386   2HG2  VAL  53          2HG2      VAL  53  -0.378  -4.604 -11.233
  387   3HG2  VAL  53          3HG2      VAL  53  -0.334  -5.610  -9.781
  388    H    TRP  54           H        TRP  54   1.044  -1.747  -7.116
  389    HA   TRP  54           HA       TRP  54  -0.443   0.701  -7.466
  390   1HB   TRP  54          2HB       TRP  54  -0.402  -0.188  -5.269
  391   2HB   TRP  54          1HB       TRP  54   1.340  -0.474  -5.323
  392    HD1  TRP  54           HD1      TRP  54   2.932   1.741  -5.306
  393    HE1  TRP  54           HE1      TRP  54   2.573   4.042  -4.237
  394    HE3  TRP  54           HE3      TRP  54  -2.105   1.548  -4.468
  395    HZ2  TRP  54           HZ2      TRP  54   0.439   5.595  -3.108
  396    HZ3  TRP  54           HZ3      TRP  54  -3.273   3.452  -3.376
  397    HH2  TRP  54           HH2      TRP  54  -2.006   5.467  -2.703
  398    H    GLU  55           H        GLU  55   3.058   0.106  -6.891
  399    HA   GLU  55           HA       GLU  55   3.998   2.713  -7.027
  400   1HB   GLU  55          2HB       GLU  55   5.076   0.091  -8.036
  401   2HB   GLU  55          1HB       GLU  55   6.040   1.569  -8.063
  402   1HG   GLU  55          2HG       GLU  55   5.136   1.684  -5.527
  403   2HG   GLU  55          1HG       GLU  55   5.152  -0.064  -5.750
  404    H    LEU  56           H        LEU  56   3.763   0.559  -9.884
  405    HA   LEU  56           HA       LEU  56   4.271   2.642 -11.797
  406   1HB   LEU  56          2HB       LEU  56   2.734   0.027 -12.025
  407   2HB   LEU  56          1HB       LEU  56   3.363   0.953 -13.386
  408    HG   LEU  56           HG       LEU  56   5.371   0.377 -11.308
  409   1HD1  LEU  56          1HD1      LEU  56   3.726  -1.684 -11.542
  410   2HD1  LEU  56          2HD1      LEU  56   5.471  -1.936 -11.493
  411   3HD1  LEU  56          3HD1      LEU  56   4.619  -1.949 -13.039
  412   1HD2  LEU  56          1HD2      LEU  56   5.457   1.223 -13.863
  413   2HD2  LEU  56          2HD2      LEU  56   5.613  -0.506 -14.153
  414   3HD2  LEU  56          3HD2      LEU  56   6.792   0.329 -13.141
  415    H    SER  57           H        SER  57   1.571   1.997  -9.807
  416    HA   SER  57           HA       SER  57  -0.379   3.341 -11.604
  417   1HB   SER  57          2HB       SER  57  -0.510   1.949  -8.919
  418   2HB   SER  57          1HB       SER  57  -1.898   2.751  -9.647
  419    HG   SER  57           HG       SER  57  -1.373   0.358 -10.062
  420    H    ASP  58           H        ASP  58   1.229   3.761  -8.454
  421    HA   ASP  58           HA       ASP  58   0.014   6.387  -7.984
  422   1HB   ASP  58          2HB       ASP  58   0.486   4.787  -6.171
  423   2HB   ASP  58          1HB       ASP  58   2.201   4.821  -6.584
  424    H    ILE  59           H        ILE  59   0.980   7.099 -10.185
  425    HA   ILE  59           HA       ILE  59   3.769   7.489 -10.575
  426    HB   ILE  59           HB       ILE  59   1.275   8.933 -11.499
  427   1HG1  ILE  59          2HG1      ILE  59   2.864   7.326 -13.376
  428   2HG1  ILE  59          1HG1      ILE  59   2.253   6.391 -12.008
  429   1HG2  ILE  59          1HG2      ILE  59   2.896   9.618 -13.418
  430   2HG2  ILE  59          2HG2      ILE  59   4.173   9.287 -12.249
  431   3HG2  ILE  59          3HG2      ILE  59   2.967  10.525 -11.907
  432   1HD1  ILE  59          1HD1      ILE  59   0.008   7.703 -12.563
  433   2HD1  ILE  59          2HD1      ILE  59   0.438   6.229 -13.433
  434   3HD1  ILE  59          3HD1      ILE  59   0.739   7.806 -14.166
  435    H    ASP  60           H        ASP  60   1.572   9.056  -8.424
  436    HA   ASP  60           HA       ASP  60   3.236  11.497  -8.170
  437   1HB   ASP  60          2HB       ASP  60   0.786  10.581  -6.629
  438   2HB   ASP  60          1HB       ASP  60   1.411  12.227  -6.742
  439    H    HIS  61           H        HIS  61   2.939   8.367  -6.782
  440    HA   HIS  61           HA       HIS  61   3.939   7.376  -4.880
  441   1HB   HIS  61          2HB       HIS  61   5.765   9.673  -5.611
  442   2HB   HIS  61          1HB       HIS  61   6.188   8.485  -4.378
  443    HD1  HIS  61           HD1      HIS  61   6.041   5.879  -5.278
  444    HD2  HIS  61           HD2      HIS  61   6.420   8.858  -8.168
  445    HE1  HIS  61           HE1      HIS  61   6.843   4.731  -7.387
  446    H    ASP  62           H        ASP  62   1.856   9.429  -4.372
  447    HA   ASP  62           HA       ASP  62   2.878  10.720  -1.880
  448   1HB   ASP  62          2HB       ASP  62   0.781  12.048  -2.114
  449   2HB   ASP  62          1HB       ASP  62   1.778  12.130  -3.566
  450    H    GLY  63           H        GLY  63   1.547   7.843  -2.705
  451   1HA   GLY  63          2HA       GLY  63   0.693   6.204  -1.197
  452   2HA   GLY  63          1HA       GLY  63   0.381   7.486  -0.024
  453    H    MET  64           H        MET  64  -0.680   7.824  -3.341
  454    HA   MET  64           HA       MET  64  -3.448   6.992  -2.643
  455   1HB   MET  64          2HB       MET  64  -2.693   9.766  -3.624
  456   2HB   MET  64          1HB       MET  64  -4.333   9.181  -3.394
  457   1HG   MET  64          2HG       MET  64  -2.575   8.957  -1.026
  458   2HG   MET  64          1HG       MET  64  -2.952  10.596  -1.539
  459   1HE   MET  64          1HE       MET  64  -6.165   9.634  -2.833
  460   2HE   MET  64          2HE       MET  64  -5.221  11.086  -2.507
  461   3HE   MET  64          3HE       MET  64  -6.708  10.789  -1.608
  462    H    LEU  65           H        LEU  65  -4.834   6.929  -4.616
  463    HA   LEU  65           HA       LEU  65  -3.244   6.789  -7.161
  464   1HB   LEU  65          2HB       LEU  65  -5.226   4.946  -5.855
  465   2HB   LEU  65          1HB       LEU  65  -5.127   4.976  -7.615
  466    HG   LEU  65           HG       LEU  65  -2.878   4.374  -5.676
  467   1HD1  LEU  65          1HD1      LEU  65  -3.341   2.492  -7.828
  468   2HD1  LEU  65          2HD1      LEU  65  -4.824   2.752  -6.909
  469   3HD1  LEU  65          3HD1      LEU  65  -3.359   2.212  -6.086
  470   1HD2  LEU  65          1HD2      LEU  65  -2.900   5.012  -8.619
  471   2HD2  LEU  65          2HD2      LEU  65  -1.695   3.898  -7.970
  472   3HD2  LEU  65          3HD2      LEU  65  -1.774   5.555  -7.375
  473    H    ASP  66           H        ASP  66  -3.966   8.558  -8.347
  474    HA   ASP  66           HA       ASP  66  -6.553   9.784  -8.003
  475   1HB   ASP  66          2HB       ASP  66  -4.314  10.697  -8.925
  476   2HB   ASP  66          1HB       ASP  66  -4.809   9.964 -10.450
  477    H    ARG  67           H        ARG  67  -8.135   9.974  -9.842
  478    HA   ARG  67           HA       ARG  67  -9.317   7.549 -10.579
  479   1HB   ARG  67          2HB       ARG  67 -10.490   8.931 -12.266
  480   2HB   ARG  67          1HB       ARG  67 -10.334   9.792 -10.734
  481   1HG   ARG  67          2HG       ARG  67  -8.107  10.700 -11.782
  482   2HG   ARG  67          1HG       ARG  67  -8.856  10.238 -13.310
  483   1HD   ARG  67          2HD       ARG  67 -10.552  11.789 -11.400
  484   2HD   ARG  67          1HD       ARG  67  -9.261  12.669 -12.244
  485    HE   ARG  67           HE       ARG  67 -10.617  10.971 -14.109
  486   1HH1  ARG  67          1HH2      ARG  67 -11.631  13.432 -11.972
  487   2HH1  ARG  67          2HH2      ARG  67 -12.478  14.338 -13.181
  488   1HH2  ARG  67          2HH1      ARG  67 -11.449  12.308 -15.798
  489   2HH2  ARG  67          1HH1      ARG  67 -12.374  13.702 -15.349
  490    H    ASP  68           H        ASP  68  -6.865   9.410 -12.355
  491    HA   ASP  68           HA       ASP  68  -6.842   7.549 -14.618
  492   1HB   ASP  68          2HB       ASP  68  -5.626  10.096 -13.779
  493   2HB   ASP  68          1HB       ASP  68  -4.536   9.076 -14.716
  494    H    GLU  69           H        GLU  69  -4.933   8.118 -11.693
  495    HA   GLU  69           HA       GLU  69  -2.829   6.220 -12.348
  496   1HB   GLU  69          2HB       GLU  69  -3.825   7.333  -9.706
  497   2HB   GLU  69          1HB       GLU  69  -2.251   6.592  -9.979
  498   1HG   GLU  69          2HG       GLU  69  -1.801   8.351 -11.717
  499   2HG   GLU  69          1HG       GLU  69  -3.299   9.141 -11.226
  500    H    PHE  70           H        PHE  70  -5.722   6.126 -10.263
  501    HA   PHE  70           HA       PHE  70  -5.476   3.455  -9.345
  502   1HB   PHE  70          2HB       PHE  70  -7.061   5.307  -8.609
  503   2HB   PHE  70          1HB       PHE  70  -8.022   4.954 -10.046
  504    HD1  PHE  70           HD1      PHE  70  -7.253   3.978  -6.655
  505    HD2  PHE  70           HD2      PHE  70  -8.920   2.588 -10.364
  506    HE1  PHE  70           HE1      PHE  70  -8.357   2.109  -5.460
  507    HE2  PHE  70           HE2      PHE  70 -10.024   0.718  -9.165
  508    HZ   PHE  70           HZ       PHE  70  -9.740   0.479  -6.713
  509    H    ALA  71           H        ALA  71  -6.495   4.782 -12.430
  510    HA   ALA  71           HA       ALA  71  -7.859   2.441 -13.434
  511   1HB   ALA  71          1HB       ALA  71  -7.684   3.628 -15.546
  512   2HB   ALA  71          2HB       ALA  71  -6.344   4.598 -14.932
  513   3HB   ALA  71          3HB       ALA  71  -7.967   4.818 -14.276
  514    H    VAL  72           H        VAL  72  -4.550   3.664 -13.877
  515    HA   VAL  72           HA       VAL  72  -3.534   1.585 -15.522
  516    HB   VAL  72           HB       VAL  72  -2.184   3.210 -13.339
  517   1HG1  VAL  72          1HG1      VAL  72  -0.170   2.502 -14.141
  518   2HG1  VAL  72          2HG1      VAL  72  -0.736   2.461 -15.810
  519   3HG1  VAL  72          3HG1      VAL  72  -1.107   1.125 -14.720
  520   1HG2  VAL  72          1HG2      VAL  72  -1.791   4.903 -14.982
  521   2HG2  VAL  72          2HG2      VAL  72  -3.499   4.485 -15.137
  522   3HG2  VAL  72          3HG2      VAL  72  -2.331   3.852 -16.294
  523    H    ALA  73           H        ALA  73  -4.309   1.653 -12.122
  524    HA   ALA  73           HA       ALA  73  -2.656  -0.697 -11.465
  525   1HB   ALA  73          1HB       ALA  73  -4.773   0.652  -9.787
  526   2HB   ALA  73          2HB       ALA  73  -3.179   1.377 -10.040
  527   3HB   ALA  73          3HB       ALA  73  -3.322  -0.193  -9.243
  528    H    MET  74           H        MET  74  -5.846  -0.201 -12.700
  529    HA   MET  74           HA       MET  74  -6.936  -2.635 -11.435
  530   1HB   MET  74          2HB       MET  74  -8.136  -1.094 -13.732
  531   2HB   MET  74          1HB       MET  74  -8.969  -2.002 -12.476
  532   1HG   MET  74          2HG       MET  74  -7.724   0.720 -12.336
  533   2HG   MET  74          1HG       MET  74  -9.296   0.187 -11.759
  534   1HE   MET  74          1HE       MET  74  -7.636  -2.527  -9.274
  535   2HE   MET  74          2HE       MET  74  -8.702  -2.360 -10.667
  536   3HE   MET  74          3HE       MET  74  -9.192  -1.702  -9.109
  537    H    PHE  75           H        PHE  75  -5.801  -1.656 -14.671
  538    HA   PHE  75           HA       PHE  75  -6.372  -4.302 -15.780
  539   1HB   PHE  75          2HB       PHE  75  -5.706  -3.322 -17.790
  540   2HB   PHE  75          1HB       PHE  75  -6.169  -1.886 -16.879
  541    HD1  PHE  75           HD1      PHE  75  -3.382  -3.839 -18.242
  542    HD2  PHE  75           HD2      PHE  75  -4.476  -0.403 -15.915
  543    HE1  PHE  75           HE1      PHE  75  -1.073  -2.963 -18.454
  544    HE2  PHE  75           HE2      PHE  75  -2.174   0.471 -16.122
  545    HZ   PHE  75           HZ       PHE  75  -0.464  -0.811 -17.394
  546    H    LEU  76           H        LEU  76  -3.782  -2.680 -14.130
  547    HA   LEU  76           HA       LEU  76  -1.636  -4.512 -14.823
  548   1HB   LEU  76          2HB       LEU  76  -2.171  -2.186 -13.109
  549   2HB   LEU  76          1HB       LEU  76  -1.016  -3.319 -12.408
  550    HG   LEU  76           HG       LEU  76  -0.824  -2.237 -15.229
  551   1HD1  LEU  76          1HD1      LEU  76   0.852  -1.439 -12.838
  552   2HD1  LEU  76          2HD1      LEU  76  -0.562  -0.520 -13.359
  553   3HD1  LEU  76          3HD1      LEU  76   0.825  -0.694 -14.436
  554   1HD2  LEU  76          1HD2      LEU  76   1.386  -3.227 -15.211
  555   2HD2  LEU  76          2HD2      LEU  76   0.249  -4.468 -14.686
  556   3HD2  LEU  76          3HD2      LEU  76   1.247  -3.629 -13.500
  557    H    VAL  77           H        VAL  77  -4.300  -4.543 -12.629
  558    HA   VAL  77           HA       VAL  77  -3.130  -6.631 -10.888
  559    HB   VAL  77           HB       VAL  77  -5.708  -5.045 -11.022
  560   1HG1  VAL  77          1HG1      VAL  77  -6.199  -7.325 -10.199
  561   2HG1  VAL  77          2HG1      VAL  77  -6.345  -6.133  -8.907
  562   3HG1  VAL  77          3HG1      VAL  77  -4.916  -7.164  -9.000
  563   1HG2  VAL  77          1HG2      VAL  77  -3.436  -4.110 -10.177
  564   2HG2  VAL  77          2HG2      VAL  77  -3.686  -5.165  -8.786
  565   3HG2  VAL  77          3HG2      VAL  77  -4.853  -3.894  -9.151
  566    H    TYR  78           H        TYR  78  -5.952  -6.220 -13.044
  567    HA   TYR  78           HA       TYR  78  -6.832  -8.929 -12.932
  568   1HB   TYR  78          2HB       TYR  78  -7.263  -6.488 -14.552
  569   2HB   TYR  78          1HB       TYR  78  -7.707  -8.003 -15.337
  570    HD1  TYR  78           HD1      TYR  78  -8.974  -5.435 -13.383
  571    HD2  TYR  78           HD2      TYR  78  -8.898  -9.727 -13.576
  572    HE1  TYR  78           HE1      TYR  78 -11.055  -5.529 -12.037
  573    HE2  TYR  78           HE2      TYR  78 -10.983  -9.822 -12.232
  574    HH   TYR  78           HH       TYR  78 -12.382  -8.614 -10.919
  575    H    CYS  79           H        CYS  79  -4.638  -7.263 -15.193
  576    HA   CYS  79           HA       CYS  79  -4.239  -9.674 -16.806
  577   1HB   CYS  79          2HB       CYS  79  -3.021  -6.910 -16.648
  578   2HB   CYS  79          1HB       CYS  79  -2.431  -8.123 -17.781
  579    HG   CYS  79           HG       CYS  79  -4.278  -7.342 -19.239
  580    H    ALA  80           H        ALA  80  -3.090  -8.547 -13.814
  581    HA   ALA  80           HA       ALA  80  -0.431  -9.841 -14.086
  582   1HB   ALA  80          1HB       ALA  80  -0.324  -8.991 -11.649
  583   2HB   ALA  80          2HB       ALA  80  -1.860  -8.196 -11.993
  584   3HB   ALA  80          3HB       ALA  80  -0.418  -7.771 -12.917
  585    H    LEU  81           H        LEU  81  -3.550 -10.249 -12.601
  586    HA   LEU  81           HA       LEU  81  -2.773 -12.644 -11.073
  587   1HB   LEU  81          2HB       LEU  81  -4.714 -12.168  -9.931
  588   2HB   LEU  81          1HB       LEU  81  -4.368 -10.573 -10.598
  589    HG   LEU  81           HG       LEU  81  -5.745 -11.576 -12.653
  590   1HD1  LEU  81          1HD1      LEU  81  -7.346 -12.720 -10.428
  591   2HD1  LEU  81          2HD1      LEU  81  -5.920 -13.636 -10.935
  592   3HD1  LEU  81          3HD1      LEU  81  -7.193 -13.261 -12.103
  593   1HD2  LEU  81          1HD2      LEU  81  -7.655 -10.346 -11.731
  594   2HD2  LEU  81          2HD2      LEU  81  -6.149  -9.503 -11.347
  595   3HD2  LEU  81          3HD2      LEU  81  -6.967 -10.462 -10.108
  596    H    GLU  82           H        GLU  82  -4.290 -11.839 -14.120
  597    HA   GLU  82           HA       GLU  82  -5.691 -14.335 -14.516
  598   1HB   GLU  82          2HB       GLU  82  -6.022 -12.094 -15.680
  599   2HB   GLU  82          1HB       GLU  82  -4.558 -12.449 -16.596
  600   1HG   GLU  82          2HG       GLU  82  -5.991 -13.449 -18.057
  601   2HG   GLU  82          1HG       GLU  82  -5.940 -14.785 -16.904
  602    H    LYS  83           H        LYS  83  -2.659 -13.106 -15.960
  603    HA   LYS  83           HA       LYS  83  -1.199 -15.549 -15.574
  604   1HB   LYS  83          2HB       LYS  83  -3.073 -16.150 -17.223
  605   2HB   LYS  83          1HB       LYS  83  -2.217 -15.144 -18.391
  606   1HG   LYS  83          2HG       LYS  83  -0.174 -16.518 -18.043
  607   2HG   LYS  83          1HG       LYS  83  -1.082 -17.556 -16.944
  608   1HD   LYS  83          2HD       LYS  83  -2.290 -17.080 -19.620
  609   2HD   LYS  83          1HD       LYS  83  -0.848 -18.092 -19.577
  610   1HE   LYS  83          2HE       LYS  83  -1.884 -19.613 -17.987
  611   2HE   LYS  83          1HE       LYS  83  -3.292 -18.545 -17.829
  612   1HZ   LYS  83          1HZ       LYS  83  -3.789 -18.819 -20.135
  613   2HZ   LYS  83          2HZ       LYS  83  -3.617 -20.369 -19.461
  614   3HZ   LYS  83          3HZ       LYS  83  -2.368 -19.704 -20.402
  615    H    GLU  84           H        GLU  84  -0.269 -13.050 -15.143
  616    HA   GLU  84           HA       GLU  84   1.931 -12.806 -17.058
  617   1HB   GLU  84          2HB       GLU  84  -0.330 -11.660 -17.897
  618   2HB   GLU  84          1HB       GLU  84   0.226 -10.356 -16.845
  619   1HG   GLU  84          2HG       GLU  84   1.952  -9.814 -18.222
  620   2HG   GLU  84          1HG       GLU  84   2.320 -11.501 -18.580
  621    HA   PRO  85           HA       PRO  85   3.561 -11.110 -13.310
  622   1HB   PRO  85          2HB       PRO  85   6.051 -10.506 -14.259
  623   2HB   PRO  85          1HB       PRO  85   5.535 -12.166 -13.903
  624   1HG   PRO  85          2HG       PRO  85   5.807 -10.788 -16.511
  625   2HG   PRO  85          1HG       PRO  85   6.063 -12.489 -16.097
  626   1HD   PRO  85          2HD       PRO  85   3.815 -11.466 -17.363
  627   2HD   PRO  85          1HD       PRO  85   3.903 -13.030 -16.526
  628    H    VAL  86           H        VAL  86   4.634  -8.985 -12.618
  629    HA   VAL  86           HA       VAL  86   3.806  -6.738 -14.434
  630    HB   VAL  86           HB       VAL  86   3.743  -7.025 -11.414
  631   1HG1  VAL  86          1HG1      VAL  86   2.457  -4.744 -11.778
  632   2HG1  VAL  86          2HG1      VAL  86   3.435  -4.668 -13.244
  633   3HG1  VAL  86          3HG1      VAL  86   4.217  -4.761 -11.666
  634   1HG2  VAL  86          1HG2      VAL  86   1.692  -7.052 -13.614
  635   2HG2  VAL  86          2HG2      VAL  86   1.242  -6.472 -12.010
  636   3HG2  VAL  86          3HG2      VAL  86   1.835  -8.120 -12.217
  637    HA   PRO  87           HA       PRO  87   8.123  -5.738 -13.883
  638   1HB   PRO  87          2HB       PRO  87   8.203  -3.798 -15.807
  639   2HB   PRO  87          1HB       PRO  87   8.211  -5.531 -16.188
  640   1HG   PRO  87          2HG       PRO  87   6.059  -3.558 -16.492
  641   2HG   PRO  87          1HG       PRO  87   6.318  -5.088 -17.336
  642   1HD   PRO  87          2HD       PRO  87   4.510  -4.574 -15.211
  643   2HD   PRO  87          1HD       PRO  87   4.870  -6.142 -15.967
  644    H    MET  88           H        MET  88   9.257  -3.907 -12.940
  645    HA   MET  88           HA       MET  88   7.495  -2.024 -11.496
  646   1HB   MET  88          2HB       MET  88  10.507  -2.184 -11.539
  647   2HB   MET  88          1HB       MET  88   9.479  -1.547 -10.257
  648   1HG   MET  88          2HG       MET  88   8.577  -3.798  -9.842
  649   2HG   MET  88          1HG       MET  88   9.568  -4.448 -11.145
  650   1HE   MET  88          1HE       MET  88  12.230  -2.310 -10.430
  651   2HE   MET  88          2HE       MET  88  12.030  -3.811 -11.331
  652   3HE   MET  88          3HE       MET  88  13.159  -3.746  -9.979
  653    H    SER  89           H        SER  89   8.302  -1.925 -14.553
  654    HA   SER  89           HA       SER  89   9.384   0.860 -14.463
  655   1HB   SER  89          2HB       SER  89   9.388  -1.209 -16.655
  656   2HB   SER  89          1HB       SER  89  10.188   0.358 -16.713
  657    HG   SER  89           HG       SER  89  11.509  -1.514 -16.064
  658    H    LEU  90           H        LEU  90   7.544   2.073 -14.404
  659    HA   LEU  90           HA       LEU  90   5.101   1.629 -15.795
  660   1HB   LEU  90          2HB       LEU  90   6.392   3.631 -14.220
  661   2HB   LEU  90          1HB       LEU  90   5.733   4.428 -15.648
  662    HG   LEU  90           HG       LEU  90   4.164   2.558 -13.852
  663   1HD1  LEU  90          1HD1      LEU  90   4.421   4.428 -12.497
  664   2HD1  LEU  90          2HD1      LEU  90   2.981   4.877 -13.409
  665   3HD1  LEU  90          3HD1      LEU  90   4.553   5.530 -13.867
  666   1HD2  LEU  90          1HD2      LEU  90   2.630   4.403 -15.457
  667   2HD2  LEU  90          2HD2      LEU  90   2.575   2.640 -15.450
  668   3HD2  LEU  90          3HD2      LEU  90   3.722   3.484 -16.490
  669    HA   PRO  91           HA       PRO  91   6.995   2.183 -19.869
  670   1HB   PRO  91          2HB       PRO  91   4.820   1.245 -21.250
  671   2HB   PRO  91          1HB       PRO  91   6.027   0.178 -20.503
  672   1HG   PRO  91          2HG       PRO  91   3.349   1.000 -19.492
  673   2HG   PRO  91          1HG       PRO  91   4.119  -0.592 -19.455
  674   1HD   PRO  91          2HD       PRO  91   4.023   1.027 -17.294
  675   2HD   PRO  91          1HD       PRO  91   5.383  -0.078 -17.598
  676    HA   PRO  92           HA       PRO  92   5.116   5.989 -20.935
  677   1HB   PRO  92          2HB       PRO  92   5.549   6.105 -23.637
  678   2HB   PRO  92          1HB       PRO  92   6.842   6.316 -22.440
  679   1HG   PRO  92          2HG       PRO  92   6.148   3.932 -24.072
  680   2HG   PRO  92          1HG       PRO  92   7.734   4.544 -23.586
  681   1HD   PRO  92          2HD       PRO  92   6.476   2.426 -22.387
  682   2HD   PRO  92          1HD       PRO  92   7.683   3.451 -21.582
  683    H    ALA  93           H        ALA  93   3.943   3.068 -22.329
  684    HA   ALA  93           HA       ALA  93   1.607   4.392 -23.591
  685   1HB   ALA  93          1HB       ALA  93   3.058   1.867 -23.723
  686   2HB   ALA  93          2HB       ALA  93   1.959   2.577 -24.907
  687   3HB   ALA  93          3HB       ALA  93   1.320   1.599 -23.586
  688    H    LEU  94           H        LEU  94   2.200   4.380 -20.619
  689    HA   LEU  94           HA       LEU  94  -0.343   3.091 -19.702
  690   1HB   LEU  94          2HB       LEU  94   2.449   2.807 -18.904
  691   2HB   LEU  94          1HB       LEU  94   1.422   3.245 -17.539
  692    HG   LEU  94           HG       LEU  94   1.465   0.834 -17.706
  693   1HD1  LEU  94          1HD1      LEU  94  -1.123   0.803 -18.797
  694   2HD1  LEU  94          2HD1      LEU  94  -0.932   2.419 -18.116
  695   3HD1  LEU  94          3HD1      LEU  94  -0.695   1.004 -17.099
  696   1HD2  LEU  94          1HD2      LEU  94   1.528   1.436 -20.512
  697   2HD2  LEU  94          2HD2      LEU  94   0.160   0.371 -20.188
  698   3HD2  LEU  94          3HD2      LEU  94   1.784  -0.118 -19.720
  699    H    VAL  95           H        VAL  95   1.925   5.768 -19.391
  700    HA   VAL  95           HA       VAL  95   0.418   7.092 -17.264
  701    HB   VAL  95           HB       VAL  95   2.113   8.901 -17.772
  702   1HG1  VAL  95          1HG1      VAL  95   2.424   6.696 -16.333
  703   2HG1  VAL  95          2HG1      VAL  95   3.790   7.767 -16.645
  704   3HG1  VAL  95          3HG1      VAL  95   3.584   6.300 -17.601
  705   1HG2  VAL  95          1HG2      VAL  95   3.705   7.122 -19.470
  706   2HG2  VAL  95          2HG2      VAL  95   3.369   8.843 -19.655
  707   3HG2  VAL  95          3HG2      VAL  95   2.212   7.651 -20.246
  708    HA   PRO  96           HA       PRO  96  -2.428   9.187 -19.887
  709   1HB   PRO  96          2HB       PRO  96  -3.051  11.258 -18.195
  710   2HB   PRO  96          1HB       PRO  96  -3.670   9.608 -17.970
  711   1HG   PRO  96          2HG       PRO  96  -1.383  10.969 -16.620
  712   2HG   PRO  96          1HG       PRO  96  -2.627   9.910 -15.934
  713   1HD   PRO  96          2HD       PRO  96  -0.132   9.038 -16.494
  714   2HD   PRO  96          1HD       PRO  96  -1.562   7.985 -16.624
  715    HA   PRO  97           HA       PRO  97  -0.172  12.446 -21.763
  716   1HB   PRO  97          2HB       PRO  97  -2.110  14.255 -22.469
  717   2HB   PRO  97          1HB       PRO  97  -1.895  12.699 -23.295
  718   1HG   PRO  97          2HG       PRO  97  -3.876  13.479 -21.211
  719   2HG   PRO  97          1HG       PRO  97  -4.087  12.462 -22.645
  720   1HD   PRO  97          2HD       PRO  97  -3.796  11.459 -20.130
  721   2HD   PRO  97          1HD       PRO  97  -3.290  10.586 -21.595
  722    H    SER  98           H        SER  98   0.220  12.683 -19.139
  723    HA   SER  98           HA       SER  98   0.186  15.610 -18.708
  724   1HB   SER  98          2HB       SER  98  -1.599  15.232 -17.299
  725   2HB   SER  98          1HB       SER  98  -1.246  13.511 -17.180
  726    HG   SER  98           HG       SER  98   0.363  13.978 -15.698
  727    H    LYS  99           H        LYS  99   1.190  12.450 -17.477
  728    HA   LYS  99           HA       LYS  99   3.696  13.610 -16.411
  729   1HB   LYS  99          2HB       LYS  99   2.135  11.769 -15.379
  730   2HB   LYS  99          1HB       LYS  99   2.939  10.691 -16.521
  731   1HG   LYS  99          2HG       LYS  99   4.709  12.474 -14.932
  732   2HG   LYS  99          1HG       LYS  99   3.909  11.174 -14.047
  733   1HD   LYS  99          2HD       LYS  99   4.711   9.732 -16.134
  734   2HD   LYS  99          1HD       LYS  99   5.925  11.007 -16.250
  735   1HE   LYS  99          2HE       LYS  99   5.350   9.505 -13.677
  736   2HE   LYS  99          1HE       LYS  99   6.640   9.052 -14.809
  737   1HZ   LYS  99          1HZ       LYS  99   7.631  11.177 -14.602
  738   2HZ   LYS  99          2HZ       LYS  99   7.324  10.648 -13.016
  739   3HZ   LYS  99          3HZ       LYS  99   6.309  11.801 -13.743
  740    H    ARG 100           H        ARG 100   2.622  12.893 -19.419
  741    HA   ARG 100           HA       ARG 100   4.578  11.060 -20.466
  742   1HB   ARG 100          2HB       ARG 100   2.575  13.002 -21.411
  743   2HB   ARG 100          1HB       ARG 100   3.927  12.785 -22.524
  744   1HG   ARG 100          2HG       ARG 100   3.542  10.440 -22.701
  745   2HG   ARG 100          1HG       ARG 100   2.459  10.439 -21.308
  746   1HD   ARG 100          2HD       ARG 100   1.259  12.279 -23.002
  747   2HD   ARG 100          1HD       ARG 100   1.856  11.034 -24.117
  748    HE   ARG 100           HE       ARG 100   0.400  10.173 -21.664
  749   1HH1  ARG 100          1HH2      ARG 100  -0.963  11.355 -24.294
  750   2HH1  ARG 100          2HH2      ARG 100  -1.527   9.869 -24.984
  751   1HH2  ARG 100          2HH1      ARG 100   0.365   7.864 -22.885
  752   2HH2  ARG 100          1HH1      ARG 100  -0.776   7.895 -24.188
  753    H    SER 107           1H       SER 107   8.905   3.915   1.318
  754    HA   SER 107           HA       SER 107   7.462   3.390   3.028
  755   1HB   SER 107          2HB       SER 107   6.931   5.098   4.754
  756   2HB   SER 107          1HB       SER 107   8.670   4.872   4.583
  757    HG   SER 107           HG       SER 107   8.081   7.087   4.600
  758    H    THR 108           H        THR 108   5.933   3.153   1.298
  759    HA   THR 108           HA       THR 108   3.778   5.132   1.271
  760    HB   THR 108           HB       THR 108   5.628   4.735  -1.102
  761    HG1  THR 108           HG1      THR 108   6.067   6.848  -0.791
  762   1HG2  THR 108          1HG2      THR 108   3.006   6.251  -0.966
  763   2HG2  THR 108          2HG2      THR 108   3.248   4.718  -1.803
  764   3HG2  THR 108          3HG2      THR 108   4.085   6.168  -2.357
  765    H    ASN 109           H        ASN 109   5.142   2.602  -0.882
  766    HA   ASN 109           HA       ASN 109   2.739   1.509  -1.828
  767   1HB   ASN 109          2HB       ASN 109   5.131   1.026  -2.488
  768   2HB   ASN 109          1HB       ASN 109   5.249  -0.012  -1.064
  769   1HD2  ASN 109          1HD2      ASN 109   3.567   0.379  -4.181
  770   2HD2  ASN 109          2HD2      ASN 109   3.061  -1.234  -4.302
  771    HA   PRO 110           HA       PRO 110   1.229   0.156   2.211
  772   1HB   PRO 110          2HB       PRO 110  -1.336  -0.251   1.351
  773   2HB   PRO 110          1HB       PRO 110  -0.694   1.354   1.757
  774   1HG   PRO 110          2HG       PRO 110  -1.039   0.079  -0.913
  775   2HG   PRO 110          1HG       PRO 110  -1.358   1.744  -0.411
  776   1HD   PRO 110          2HD       PRO 110   0.869   1.030  -1.773
  777   2HD   PRO 110          1HD       PRO 110   0.837   2.372  -0.613
  778    H    PHE 111           H        PHE 111   1.990  -1.607  -0.496
  779    HA   PHE 111           HA       PHE 111   0.575  -4.075   0.402
  780   1HB   PHE 111          2HB       PHE 111   2.292  -3.696  -2.068
  781   2HB   PHE 111          1HB       PHE 111   1.018  -4.886  -1.803
  782    HD1  PHE 111           HD1      PHE 111   1.681  -1.258  -2.269
  783    HD2  PHE 111           HD2      PHE 111  -1.296  -4.365  -2.257
  784    HE1  PHE 111           HE1      PHE 111   0.017   0.322  -3.191
  785    HE2  PHE 111           HE2      PHE 111  -2.947  -2.771  -3.167
  786    HZ   PHE 111           HZ       PHE 111  -2.292  -0.426  -3.630
  787    H    ARG 112           HN       ARG 112   3.825  -3.255  -0.834
  788    HA   ARG 112           HA       ARG 112   5.103  -5.501   0.419
  789   1HB   ARG 112          2HB       ARG 112   5.842  -3.006  -1.016
  790   2HB   ARG 112          1HB       ARG 112   7.105  -3.728  -0.018
  791   1HG   ARG 112          2HG       ARG 112   6.996  -5.796  -1.197
  792   2HG   ARG 112          1HG       ARG 112   5.486  -5.349  -1.988
  793   1HD   ARG 112          2HD       ARG 112   6.560  -3.798  -3.425
  794   2HD   ARG 112          1HD       ARG 112   8.018  -3.747  -2.415
  795    HE   ARG 112           HE       ARG 112   7.279  -6.378  -3.554
  796   1HH1  ARG 112          1HH2      ARG 112   8.657  -3.530  -4.666
  797   2HH1  ARG 112          2HH2      ARG 112  10.160  -4.240  -5.154
  798   1HH2  ARG 112          1HH1      ARG 112   9.474  -7.322  -3.723
  799   2HH2  ARG 112          2HH1      ARG 112  10.622  -6.385  -4.620
  Start of MODEL   11
    1    HA   PRO   6           HA       PRO   6  -0.573   7.585 -26.566
    2   1HB   PRO   6          2HB       PRO   6  -2.226   5.418 -26.787
    3   2HB   PRO   6          1HB       PRO   6  -1.856   6.493 -28.148
    4   1HG   PRO   6          2HG       PRO   6  -0.768   3.804 -27.511
    5   2HG   PRO   6          1HG       PRO   6  -1.140   4.531 -29.081
    6   1HD   PRO   6          2HD       PRO   6   1.392   4.314 -28.031
    7   2HD   PRO   6          1HD       PRO   6   0.908   5.515 -29.248
    8    H    TRP   7           H        TRP   7  -2.316   6.286 -24.925
    9    HA   TRP   7           HA       TRP   7  -0.640   5.658 -22.577
   10   1HB   TRP   7          2HB       TRP   7  -2.572   7.239 -22.561
   11   2HB   TRP   7          1HB       TRP   7  -3.643   5.892 -22.940
   12    HD1  TRP   7           HD1      TRP   7  -0.815   5.039 -20.662
   13    HE1  TRP   7           HE1      TRP   7  -1.687   4.730 -18.254
   14    HE3  TRP   7           HE3      TRP   7  -5.547   6.857 -21.208
   15    HZ2  TRP   7           HZ2      TRP   7  -4.082   5.198 -16.759
   16    HZ3  TRP   7           HZ3      TRP   7  -7.104   6.915 -19.284
   17    HH2  TRP   7           HH2      TRP   7  -6.379   6.089 -17.060
   18    H    ALA   8           H        ALA   8  -0.124   3.560 -22.122
   19    HA   ALA   8           HA       ALA   8  -0.836   1.238 -23.425
   20   1HB   ALA   8          1HB       ALA   8   0.845   1.283 -21.705
   21   2HB   ALA   8          2HB       ALA   8  -0.397   0.157 -21.156
   22   3HB   ALA   8          3HB       ALA   8  -0.329   1.788 -20.489
   23    H    VAL   9           H        VAL   9  -2.781   3.045 -21.128
   24    HA   VAL   9           HA       VAL   9  -4.842   0.899 -21.062
   25    HB   VAL   9           HB       VAL   9  -4.459   3.535 -19.612
   26   1HG1  VAL   9          1HG1      VAL   9  -6.813   1.831 -19.932
   27   2HG1  VAL   9          2HG1      VAL   9  -6.687   3.450 -19.244
   28   3HG1  VAL   9          3HG1      VAL   9  -6.356   2.039 -18.240
   29   1HG2  VAL   9          1HG2      VAL   9  -3.107   1.272 -19.180
   30   2HG2  VAL   9          2HG2      VAL   9  -4.572   0.852 -18.291
   31   3HG2  VAL   9          3HG2      VAL   9  -3.647   2.286 -17.842
   32    H    LYS  10           H        LYS  10  -7.015   1.351 -21.741
   33    HA   LYS  10           HA       LYS  10  -7.205   3.523 -23.787
   34   1HB   LYS  10          2HB       LYS  10  -8.388   0.799 -23.343
   35   2HB   LYS  10          1HB       LYS  10  -9.282   1.953 -24.327
   36   1HG   LYS  10          2HG       LYS  10  -6.429   1.039 -24.789
   37   2HG   LYS  10          1HG       LYS  10  -7.833   0.595 -25.759
   38   1HD   LYS  10          2HD       LYS  10  -7.733   3.455 -25.546
   39   2HD   LYS  10          1HD       LYS  10  -6.153   2.870 -26.065
   40   1HE   LYS  10          2HE       LYS  10  -7.430   1.427 -27.780
   41   2HE   LYS  10          1HE       LYS  10  -8.831   2.452 -27.410
   42   1HZ   LYS  10          1HZ       LYS  10  -7.909   3.851 -28.889
   43   2HZ   LYS  10          2HZ       LYS  10  -6.377   3.123 -28.792
   44   3HZ   LYS  10          3HZ       LYS  10  -6.855   4.261 -27.625
   45    HA   PRO  11           HA       PRO  11 -10.373   5.625 -21.577
   46   1HB   PRO  11          2HB       PRO  11 -12.394   5.934 -23.407
   47   2HB   PRO  11          1HB       PRO  11 -10.886   6.868 -23.464
   48   1HG   PRO  11          2HG       PRO  11 -11.669   4.443 -25.015
   49   2HG   PRO  11          1HG       PRO  11 -10.827   5.905 -25.560
   50   1HD   PRO  11          2HD       PRO  11  -9.517   3.608 -25.041
   51   2HD   PRO  11          1HD       PRO  11  -8.788   5.200 -24.738
   52    H    GLU  12           H        GLU  12 -11.464   2.816 -23.431
   53    HA   GLU  12           HA       GLU  12 -13.884   2.351 -21.919
   54   1HB   GLU  12          2HB       GLU  12 -14.002   1.204 -23.892
   55   2HB   GLU  12          1HB       GLU  12 -12.250   1.145 -24.054
   56   1HG   GLU  12          2HG       GLU  12 -12.144  -0.739 -22.494
   57   2HG   GLU  12          1HG       GLU  12 -13.889  -0.658 -22.250
   58    H    ASP  13           H        ASP  13 -10.500   1.445 -21.568
   59    HA   ASP  13           HA       ASP  13 -10.997  -0.483 -19.406
   60   1HB   ASP  13          2HB       ASP  13  -8.784   0.549 -21.058
   61   2HB   ASP  13          1HB       ASP  13  -8.316   0.223 -19.388
   62    H    LYS  14           H        LYS  14 -10.066   2.887 -19.802
   63    HA   LYS  14           HA       LYS  14  -9.450   3.366 -17.002
   64   1HB   LYS  14          2HB       LYS  14  -8.432   4.839 -18.502
   65   2HB   LYS  14          1HB       LYS  14  -9.856   4.925 -19.533
   66   1HG   LYS  14          2HG       LYS  14  -9.666   7.044 -18.413
   67   2HG   LYS  14          1HG       LYS  14 -11.011   6.188 -17.665
   68   1HD   LYS  14          2HD       LYS  14  -9.888   5.870 -15.685
   69   2HD   LYS  14          1HD       LYS  14  -8.315   5.754 -16.478
   70   1HE   LYS  14          2HE       LYS  14  -8.207   7.847 -15.374
   71   2HE   LYS  14          1HE       LYS  14  -8.687   8.297 -17.020
   72   1HZ   LYS  14          1HZ       LYS  14 -10.556   9.123 -16.182
   73   2HZ   LYS  14          2HZ       LYS  14 -10.144   8.602 -14.618
   74   3HZ   LYS  14          3HZ       LYS  14 -11.002   7.572 -15.661
   75    H    ALA  15           H        ALA  15 -12.300   3.057 -18.877
   76    HA   ALA  15           HA       ALA  15 -14.044   4.744 -17.248
   77   1HB   ALA  15          1HB       ALA  15 -14.285   4.030 -19.708
   78   2HB   ALA  15          2HB       ALA  15 -15.738   3.894 -18.717
   79   3HB   ALA  15          3HB       ALA  15 -14.788   2.457 -19.090
   80    H    LYS  16           H        LYS  16 -13.216   1.293 -17.465
   81    HA   LYS  16           HA       LYS  16 -15.081   0.530 -15.345
   82   1HB   LYS  16          2HB       LYS  16 -14.442  -1.615 -15.945
   83   2HB   LYS  16          1HB       LYS  16 -14.002  -0.755 -17.417
   84   1HG   LYS  16          2HG       LYS  16 -11.694  -0.496 -16.529
   85   2HG   LYS  16          1HG       LYS  16 -12.157  -1.473 -15.135
   86   1HD   LYS  16          2HD       LYS  16 -12.805  -2.642 -17.777
   87   2HD   LYS  16          1HD       LYS  16 -11.084  -2.523 -17.404
   88   1HE   LYS  16          2HE       LYS  16 -12.222  -3.463 -15.026
   89   2HE   LYS  16          1HE       LYS  16 -13.068  -4.355 -16.306
   90   1HZ   LYS  16          1HZ       LYS  16 -10.171  -4.186 -15.780
   91   2HZ   LYS  16          2HZ       LYS  16 -10.737  -4.534 -17.342
   92   3HZ   LYS  16          3HZ       LYS  16 -11.124  -5.563 -16.047
   93    H    TYR  17           H        TYR  17 -11.806   1.630 -15.653
   94    HA   TYR  17           HA       TYR  17 -10.887   0.801 -13.010
   95   1HB   TYR  17          2HB       TYR  17  -9.946   2.901 -15.001
   96   2HB   TYR  17          1HB       TYR  17  -9.024   2.364 -13.600
   97    HD1  TYR  17           HD1      TYR  17  -7.549   2.052 -15.927
   98    HD2  TYR  17           HD2      TYR  17 -10.732  -0.468 -14.546
   99    HE1  TYR  17           HE1      TYR  17  -6.618   0.166 -17.242
  100    HE2  TYR  17           HE2      TYR  17  -9.816  -2.352 -15.865
  101    HH   TYR  17           HH       TYR  17  -7.149  -1.900 -18.108
  102    H    ASP  18           H        ASP  18 -12.299   3.683 -14.500
  103    HA   ASP  18           HA       ASP  18 -12.066   5.406 -12.187
  104   1HB   ASP  18          2HB       ASP  18 -12.392   6.093 -14.576
  105   2HB   ASP  18          1HB       ASP  18 -14.029   5.438 -14.507
  106    H    ALA  19           H        ALA  19 -14.191   2.798 -13.020
  107    HA   ALA  19           HA       ALA  19 -16.385   3.640 -11.245
  108   1HB   ALA  19          1HB       ALA  19 -15.968   0.852 -12.281
  109   2HB   ALA  19          2HB       ALA  19 -16.312   2.135 -13.442
  110   3HB   ALA  19          3HB       ALA  19 -17.464   1.777 -12.155
  111    H    ILE  20           H        ILE  20 -13.663   1.359 -11.256
  112    HA   ILE  20           HA       ILE  20 -14.244   0.262  -8.631
  113    HB   ILE  20           HB       ILE  20 -11.852   0.305 -10.500
  114   1HG1  ILE  20          2HG1      ILE  20 -13.599  -2.044  -9.759
  115   2HG1  ILE  20          1HG1      ILE  20 -14.042  -0.949 -11.070
  116   1HG2  ILE  20          1HG2      ILE  20 -10.650  -1.016  -9.049
  117   2HG2  ILE  20          2HG2      ILE  20 -12.094  -1.669  -8.279
  118   3HG2  ILE  20          3HG2      ILE  20 -11.541  -0.043  -7.881
  119   1HD1  ILE  20          1HD1      ILE  20 -11.406  -2.439 -10.869
  120   2HD1  ILE  20          2HD1      ILE  20 -11.906  -1.388 -12.194
  121   3HD1  ILE  20          3HD1      ILE  20 -12.757  -2.906 -11.903
  122    H    PHE  21           H        PHE  21 -12.311   2.841 -10.035
  123    HA   PHE  21           HA       PHE  21 -10.833   3.546  -7.668
  124   1HB   PHE  21          2HB       PHE  21  -9.887   4.402  -9.597
  125   2HB   PHE  21          1HB       PHE  21 -11.451   4.628 -10.375
  126    HD1  PHE  21           HD1      PHE  21  -8.894   6.140  -8.232
  127    HD2  PHE  21           HD2      PHE  21 -12.837   6.613  -9.870
  128    HE1  PHE  21           HE1      PHE  21  -8.854   8.547  -7.635
  129    HE2  PHE  21           HE2      PHE  21 -12.797   9.017  -9.272
  130    HZ   PHE  21           HZ       PHE  21 -10.810   9.984  -8.155
  131    H    ASP  22           H        ASP  22 -13.876   4.651  -9.113
  132    HA   ASP  22           HA       ASP  22 -14.386   6.577  -6.953
  133   1HB   ASP  22          2HB       ASP  22 -15.127   7.236  -9.093
  134   2HB   ASP  22          1HB       ASP  22 -15.760   5.631  -9.466
  135    H    SER  23           H        SER  23 -14.603   3.264  -7.167
  136    HA   SER  23           HA       SER  23 -17.187   2.935  -5.774
  137   1HB   SER  23          2HB       SER  23 -16.440   1.300  -7.434
  138   2HB   SER  23          1HB       SER  23 -14.933   1.053  -6.558
  139    HG   SER  23           HG       SER  23 -16.919  -0.410  -6.240
  140    H    LEU  24           H        LEU  24 -14.001   3.696  -4.976
  141    HA   LEU  24           HA       LEU  24 -14.127   2.528  -2.232
  142   1HB   LEU  24          2HB       LEU  24 -11.874   4.149  -3.395
  143   2HB   LEU  24          1HB       LEU  24 -11.789   2.808  -2.254
  144    HG   LEU  24           HG       LEU  24 -12.601   2.549  -5.157
  145   1HD1  LEU  24          1HD1      LEU  24 -10.048   2.988  -4.088
  146   2HD1  LEU  24          2HD1      LEU  24 -10.415   2.357  -5.694
  147   3HD1  LEU  24          3HD1      LEU  24 -10.126   1.249  -4.356
  148   1HD2  LEU  24          1HD2      LEU  24 -13.508   0.829  -3.609
  149   2HD2  LEU  24          2HD2      LEU  24 -11.867   0.488  -3.059
  150   3HD2  LEU  24          3HD2      LEU  24 -12.326   0.145  -4.727
  151    H    SER  25           H        SER  25 -14.741   5.351  -3.990
  152    HA   SER  25           HA       SER  25 -15.657   7.413  -3.179
  153   1HB   SER  25          2HB       SER  25 -14.420   6.841  -0.492
  154   2HB   SER  25          1HB       SER  25 -15.872   7.765  -0.862
  155    HG   SER  25           HG       SER  25 -16.888   5.822  -1.430
  156    HA   PRO  26           HA       PRO  26 -11.427   8.807  -3.993
  157   1HB   PRO  26          2HB       PRO  26 -12.169  10.652  -5.865
  158   2HB   PRO  26          1HB       PRO  26 -11.947   8.932  -6.241
  159   1HG   PRO  26          2HG       PRO  26 -14.451  10.463  -5.796
  160   2HG   PRO  26          1HG       PRO  26 -14.117   9.144  -6.929
  161   1HD   PRO  26          2HD       PRO  26 -15.472   8.839  -4.565
  162   2HD   PRO  26          1HD       PRO  26 -14.589   7.533  -5.384
  163    H    VAL  27           H        VAL  27 -10.408  10.747  -3.368
  164    HA   VAL  27           HA       VAL  27 -12.167  12.772  -2.029
  165    HB   VAL  27           HB       VAL  27  -9.393  11.766  -1.301
  166   1HG1  VAL  27          1HG1      VAL  27 -11.280  13.644   0.155
  167   2HG1  VAL  27          2HG1      VAL  27  -9.795  14.124  -0.668
  168   3HG1  VAL  27          3HG1      VAL  27  -9.719  13.085   0.755
  169   1HG2  VAL  27          1HG2      VAL  27 -10.630  10.814   0.683
  170   2HG2  VAL  27          2HG2      VAL  27 -11.062  10.059  -0.853
  171   3HG2  VAL  27          3HG2      VAL  27 -12.140  11.247  -0.119
  172    H    ASN  28           H        ASN  28 -12.170  14.284  -3.726
  173    HA   ASN  28           HA       ASN  28 -11.285  16.100  -4.962
  174   1HB   ASN  28          2HB       ASN  28  -9.888  16.201  -2.789
  175   2HB   ASN  28          1HB       ASN  28  -8.622  15.399  -3.720
  176   1HD2  ASN  28          1HD2      ASN  28  -8.505  16.558  -6.111
  177   2HD2  ASN  28          2HD2      ASN  28  -8.341  18.247  -6.017
  178    H    GLY  29           H        GLY  29 -11.109  13.106  -5.672
  179   1HA   GLY  29          2HA       GLY  29 -10.585  12.135  -7.786
  180   2HA   GLY  29          1HA       GLY  29  -9.518  13.500  -8.124
  181    H    PHE  30           H        PHE  30  -9.471  11.495  -5.215
  182    HA   PHE  30           HA       PHE  30  -6.947  10.201  -6.115
  183   1HB   PHE  30          2HB       PHE  30  -7.332  12.005  -3.716
  184   2HB   PHE  30          1HB       PHE  30  -5.918  10.962  -3.927
  185    HD1  PHE  30           HD1      PHE  30  -7.342  14.132  -4.656
  186    HD2  PHE  30           HD2      PHE  30  -4.700  11.136  -6.222
  187    HE1  PHE  30           HE1      PHE  30  -6.346  15.813  -6.165
  188    HE2  PHE  30           HE2      PHE  30  -3.688  12.827  -7.740
  189    HZ   PHE  30           HZ       PHE  30  -4.511  15.169  -7.710
  190    H    LEU  31           H        LEU  31  -6.644   8.199  -5.230
  191    HA   LEU  31           HA       LEU  31  -8.627   7.286  -3.164
  192   1HB   LEU  31          2HB       LEU  31  -7.152   5.930  -5.428
  193   2HB   LEU  31          1HB       LEU  31  -7.774   4.983  -4.076
  194    HG   LEU  31           HG       LEU  31  -9.324   6.625  -6.068
  195   1HD1  LEU  31          1HD1      LEU  31  -9.262   4.481  -6.889
  196   2HD1  LEU  31          2HD1      LEU  31 -10.580   4.254  -5.739
  197   3HD1  LEU  31          3HD1      LEU  31  -8.935   3.784  -5.298
  198   1HD2  LEU  31          1HD2      LEU  31 -10.347   7.259  -4.010
  199   2HD2  LEU  31          2HD2      LEU  31 -10.129   5.651  -3.318
  200   3HD2  LEU  31          3HD2      LEU  31 -11.319   5.909  -4.595
  201    H    SER  32           H        SER  32  -7.743   6.522  -1.245
  202    HA   SER  32           HA       SER  32  -4.869   6.983  -0.862
  203   1HB   SER  32          2HB       SER  32  -5.781   5.972   1.481
  204   2HB   SER  32          1HB       SER  32  -5.989   7.659   1.023
  205    HG   SER  32           HG       SER  32  -7.828   5.594   0.382
  206    H    GLY  33           H        GLY  33  -3.323   5.381  -0.526
  207   1HA   GLY  33          2HA       GLY  33  -3.521   2.890  -1.747
  208   2HA   GLY  33          1HA       GLY  33  -2.459   3.178  -0.365
  209    H    ASP  34           H        ASP  34  -4.840   3.918   1.298
  210    HA   ASP  34           HA       ASP  34  -5.387   1.328   2.430
  211   1HB   ASP  34          2HB       ASP  34  -5.916   4.154   2.915
  212   2HB   ASP  34          1HB       ASP  34  -7.254   3.119   3.408
  213    H    LYS  35           H        LYS  35  -7.000   3.286  -0.017
  214    HA   LYS  35           HA       LYS  35  -9.474   1.659   0.156
  215   1HB   LYS  35          2HB       LYS  35  -8.504   4.036  -1.458
  216   2HB   LYS  35          1HB       LYS  35 -10.038   3.239  -1.802
  217   1HG   LYS  35          2HG       LYS  35 -10.856   3.716   0.431
  218   2HG   LYS  35          1HG       LYS  35  -9.284   4.360   0.909
  219   1HD   LYS  35          2HD       LYS  35  -9.511   6.267  -0.452
  220   2HD   LYS  35          1HD       LYS  35 -10.782   5.530  -1.428
  221   1HE   LYS  35          2HE       LYS  35 -11.615   7.268   0.224
  222   2HE   LYS  35          1HE       LYS  35 -12.359   5.669   0.427
  223   1HZ   LYS  35          1HZ       LYS  35 -10.780   5.132   2.125
  224   2HZ   LYS  35          2HZ       LYS  35 -11.497   6.617   2.533
  225   3HZ   LYS  35          3HZ       LYS  35  -9.930   6.579   1.877
  226    H    VAL  36           H        VAL  36  -6.623   2.230  -1.828
  227    HA   VAL  36           HA       VAL  36  -7.434   0.402  -3.968
  228    HB   VAL  36           HB       VAL  36  -4.812   1.690  -3.186
  229   1HG1  VAL  36          1HG1      VAL  36  -5.263   1.012  -5.998
  230   2HG1  VAL  36          2HG1      VAL  36  -5.214  -0.402  -4.944
  231   3HG1  VAL  36          3HG1      VAL  36  -3.851   0.716  -4.982
  232   1HG2  VAL  36          1HG2      VAL  36  -5.410   3.487  -4.540
  233   2HG2  VAL  36          2HG2      VAL  36  -6.959   3.068  -3.814
  234   3HG2  VAL  36          3HG2      VAL  36  -6.582   2.541  -5.456
  235    H    LYS  37           H        LYS  37  -5.007   0.333  -1.349
  236    HA   LYS  37           HA       LYS  37  -3.735  -2.053  -1.688
  237   1HB   LYS  37          2HB       LYS  37  -3.242  -0.748   0.213
  238   2HB   LYS  37          1HB       LYS  37  -4.920  -0.728   0.745
  239   1HG   LYS  37          2HG       LYS  37  -4.709  -2.697   1.848
  240   2HG   LYS  37          1HG       LYS  37  -3.791  -3.433   0.531
  241   1HD   LYS  37          2HD       LYS  37  -1.779  -2.172   1.253
  242   2HD   LYS  37          1HD       LYS  37  -2.700  -1.507   2.604
  243   1HE   LYS  37          2HE       LYS  37  -1.512  -3.395   3.494
  244   2HE   LYS  37          1HE       LYS  37  -3.179  -3.958   3.261
  245   1HZ   LYS  37          1HZ       LYS  37  -1.379  -5.411   2.275
  246   2HZ   LYS  37          2HZ       LYS  37  -1.116  -4.170   1.144
  247   3HZ   LYS  37          3HZ       LYS  37  -2.623  -4.952   1.218
  248    HA   PRO  38           HA       PRO  38  -7.359  -4.605   0.192
  249   1HB   PRO  38          2HB       PRO  38  -9.796  -3.347   0.291
  250   2HB   PRO  38          1HB       PRO  38  -8.654  -3.363   1.651
  251   1HG   PRO  38          2HG       PRO  38  -9.146  -1.240  -0.387
  252   2HG   PRO  38          1HG       PRO  38  -8.896  -1.088   1.361
  253   1HD   PRO  38          2HD       PRO  38  -6.936  -0.571  -0.396
  254   2HD   PRO  38          1HD       PRO  38  -6.605  -1.302   1.191
  255    H    VAL  39           H        VAL  39  -7.986  -2.208  -2.291
  256    HA   VAL  39           HA       VAL  39  -9.854  -3.772  -3.851
  257    HB   VAL  39           HB       VAL  39  -8.151  -1.320  -4.129
  258   1HG1  VAL  39          1HG1      VAL  39  -9.600  -1.443  -6.508
  259   2HG1  VAL  39          2HG1      VAL  39  -8.880  -3.043  -6.368
  260   3HG1  VAL  39          3HG1      VAL  39  -7.853  -1.607  -6.344
  261   1HG2  VAL  39          1HG2      VAL  39 -10.881  -2.003  -3.604
  262   2HG2  VAL  39          2HG2      VAL  39 -10.817  -1.043  -5.083
  263   3HG2  VAL  39          3HG2      VAL  39 -10.127  -0.411  -3.590
  264    H    LEU  40           H        LEU  40  -6.342  -3.490  -3.680
  265    HA   LEU  40           HA       LEU  40  -5.906  -5.129  -6.086
  266   1HB   LEU  40          2HB       LEU  40  -4.051  -4.103  -3.910
  267   2HB   LEU  40          1HB       LEU  40  -3.560  -4.711  -5.495
  268    HG   LEU  40           HG       LEU  40  -5.507  -2.428  -5.189
  269   1HD1  LEU  40          1HD1      LEU  40  -3.620  -1.487  -4.202
  270   2HD1  LEU  40          2HD1      LEU  40  -3.385  -1.081  -5.903
  271   3HD1  LEU  40          3HD1      LEU  40  -2.503  -2.432  -5.187
  272   1HD2  LEU  40          1HD2      LEU  40  -3.778  -3.505  -7.417
  273   2HD2  LEU  40          2HD2      LEU  40  -4.669  -1.985  -7.517
  274   3HD2  LEU  40          3HD2      LEU  40  -5.540  -3.509  -7.332
  275    H    LEU  41           H        LEU  41  -6.041  -5.518  -2.603
  276    HA   LEU  41           HA       LEU  41  -4.768  -8.103  -2.473
  277   1HB   LEU  41          2HB       LEU  41  -6.729  -6.570  -0.746
  278   2HB   LEU  41          1HB       LEU  41  -6.044  -8.120  -0.262
  279    HG   LEU  41           HG       LEU  41  -4.320  -5.781  -1.081
  280   1HD1  LEU  41          1HD1      LEU  41  -5.061  -4.789   0.827
  281   2HD1  LEU  41          2HD1      LEU  41  -4.090  -6.007   1.655
  282   3HD1  LEU  41          3HD1      LEU  41  -5.815  -6.274   1.406
  283   1HD2  LEU  41          1HD2      LEU  41  -2.681  -7.307  -0.826
  284   2HD2  LEU  41          2HD2      LEU  41  -3.888  -8.536  -0.445
  285   3HD2  LEU  41          3HD2      LEU  41  -3.182  -7.562   0.846
  286    H    ASN  42           H        ASN  42  -7.733  -6.989  -3.727
  287    HA   ASN  42           HA       ASN  42  -9.205  -9.480  -3.210
  288   1HB   ASN  42          2HB       ASN  42  -9.824  -6.795  -3.606
  289   2HB   ASN  42          1HB       ASN  42 -10.333  -7.561  -5.112
  290   1HD2  ASN  42          1HD2      ASN  42 -12.353  -6.565  -3.476
  291   2HD2  ASN  42          2HD2      ASN  42 -13.186  -7.843  -2.730
  292    H    SER  43           H        SER  43  -6.918  -8.444  -5.439
  293    HA   SER  43           HA       SER  43  -8.037  -9.698  -7.840
  294   1HB   SER  43          2HB       SER  43  -5.143  -9.131  -7.627
  295   2HB   SER  43          1HB       SER  43  -6.305  -8.597  -8.838
  296    HG   SER  43           HG       SER  43  -5.322  -7.103  -7.050
  297    H    LYS  44           H        LYS  44  -7.224 -11.173  -5.119
  298    HA   LYS  44           HA       LYS  44  -6.358 -13.305  -4.579
  299   1HB   LYS  44          2HB       LYS  44  -7.660 -13.338  -7.107
  300   2HB   LYS  44          1HB       LYS  44  -6.216 -14.339  -7.268
  301   1HG   LYS  44          2HG       LYS  44  -6.856 -15.658  -5.322
  302   2HG   LYS  44          1HG       LYS  44  -8.238 -14.604  -5.023
  303   1HD   LYS  44          2HD       LYS  44  -7.850 -16.218  -7.561
  304   2HD   LYS  44          1HD       LYS  44  -8.848 -16.733  -6.202
  305   1HE   LYS  44          2HE       LYS  44  -9.605 -14.053  -6.822
  306   2HE   LYS  44          1HE       LYS  44  -9.578 -14.970  -8.342
  307   1HZ   LYS  44          1HZ       LYS  44 -10.764 -16.775  -7.125
  308   2HZ   LYS  44          2HZ       LYS  44 -11.680 -15.357  -7.316
  309   3HZ   LYS  44          3HZ       LYS  44 -10.961 -15.712  -5.819
  310    H    LEU  45           H        LEU  45  -4.610 -11.002  -5.855
  311    HA   LEU  45           HA       LEU  45  -2.260 -12.624  -6.720
  312   1HB   LEU  45          2HB       LEU  45  -3.266  -9.815  -7.005
  313   2HB   LEU  45          1HB       LEU  45  -1.525 -10.089  -7.111
  314    HG   LEU  45           HG       LEU  45  -3.568 -11.630  -8.731
  315   1HD1  LEU  45          1HD1      LEU  45  -1.762  -9.446  -9.776
  316   2HD1  LEU  45          2HD1      LEU  45  -3.380  -9.088  -9.174
  317   3HD1  LEU  45          3HD1      LEU  45  -3.172 -10.168 -10.550
  318   1HD2  LEU  45          1HD2      LEU  45  -1.080 -12.408  -8.145
  319   2HD2  LEU  45          2HD2      LEU  45  -0.685 -11.295  -9.456
  320   3HD2  LEU  45          3HD2      LEU  45  -1.761 -12.658  -9.753
  321    HA   PRO  46           HA       PRO  46  -0.304 -11.902  -2.866
  322   1HB   PRO  46          2HB       PRO  46   2.327 -11.893  -3.630
  323   2HB   PRO  46          1HB       PRO  46   1.347 -13.369  -3.548
  324   1HG   PRO  46          2HG       PRO  46   2.150 -11.766  -5.902
  325   2HG   PRO  46          1HG       PRO  46   1.942 -13.513  -5.741
  326   1HD   PRO  46          2HD       PRO  46   0.112 -11.830  -6.915
  327   2HD   PRO  46          1HD       PRO  46  -0.280 -13.420  -6.229
  328    H    VAL  47           H        VAL  47   0.987 -10.218  -1.730
  329    HA   VAL  47           HA       VAL  47   0.396  -7.563  -2.576
  330    HB   VAL  47           HB       VAL  47   2.224  -8.849  -0.537
  331   1HG1  VAL  47          1HG1      VAL  47   3.164  -6.883   0.019
  332   2HG1  VAL  47          2HG1      VAL  47   1.602  -6.065  -0.017
  333   3HG1  VAL  47          3HG1      VAL  47   2.538  -6.241  -1.496
  334   1HG2  VAL  47          1HG2      VAL  47  -0.500  -7.577  -0.553
  335   2HG2  VAL  47          2HG2      VAL  47   0.436  -7.649   0.940
  336   3HG2  VAL  47          3HG2      VAL  47  -0.010  -9.137   0.107
  337    H    ASP  48           H        ASP  48   2.827  -9.751  -3.559
  338    HA   ASP  48           HA       ASP  48   4.929  -7.877  -4.082
  339   1HB   ASP  48          2HB       ASP  48   4.779 -10.527  -3.959
  340   2HB   ASP  48          1HB       ASP  48   4.507 -10.366  -5.693
  341    H    ILE  49           H        ILE  49   2.045  -8.932  -5.769
  342    HA   ILE  49           HA       ILE  49   2.791  -7.629  -8.285
  343    HB   ILE  49           HB       ILE  49   0.031  -8.509  -7.438
  344   1HG1  ILE  49          2HG1      ILE  49   1.418 -10.359  -6.784
  345   2HG1  ILE  49          1HG1      ILE  49   0.695 -10.783  -8.332
  346   1HG2  ILE  49          1HG2      ILE  49  -0.402  -8.169  -9.613
  347   2HG2  ILE  49          2HG2      ILE  49   0.874  -9.301 -10.065
  348   3HG2  ILE  49          3HG2      ILE  49   1.250  -7.593  -9.831
  349   1HD1  ILE  49          1HD1      ILE  49   2.977 -11.349  -8.570
  350   2HD1  ILE  49          2HD1      ILE  49   3.511  -9.864  -7.780
  351   3HD1  ILE  49          3HD1      ILE  49   2.810  -9.802  -9.401
  352    H    LEU  50           H        LEU  50   0.606  -7.098  -5.572
  353    HA   LEU  50           HA       LEU  50  -0.491  -4.598  -6.535
  354   1HB   LEU  50          2HB       LEU  50  -0.237  -5.550  -3.678
  355   2HB   LEU  50          1HB       LEU  50  -1.519  -4.567  -4.382
  356    HG   LEU  50           HG       LEU  50  -0.980  -7.508  -4.874
  357   1HD1  LEU  50          1HD1      LEU  50  -2.240  -7.071  -2.854
  358   2HD1  LEU  50          2HD1      LEU  50  -3.352  -7.679  -4.079
  359   3HD1  LEU  50          3HD1      LEU  50  -3.305  -5.956  -3.710
  360   1HD2  LEU  50          1HD2      LEU  50  -2.217  -5.497  -6.586
  361   2HD2  LEU  50          2HD2      LEU  50  -3.350  -6.780  -6.163
  362   3HD2  LEU  50          3HD2      LEU  50  -1.820  -7.176  -6.948
  363    H    GLY  51           H        GLY  51   2.290  -5.574  -4.608
  364   1HA   GLY  51          2HA       GLY  51   2.920  -2.942  -3.587
  365   2HA   GLY  51          1HA       GLY  51   4.047  -4.301  -3.683
  366    H    ARG  52           H        ARG  52   3.361  -4.618  -6.562
  367    HA   ARG  52           HA       ARG  52   5.225  -2.558  -7.614
  368   1HB   ARG  52          2HB       ARG  52   4.948  -5.339  -7.817
  369   2HB   ARG  52          1HB       ARG  52   4.435  -4.713  -9.384
  370   1HG   ARG  52          2HG       ARG  52   6.556  -3.289  -9.351
  371   2HG   ARG  52          1HG       ARG  52   7.081  -4.289  -7.993
  372   1HD   ARG  52          2HD       ARG  52   6.068  -5.980 -10.101
  373   2HD   ARG  52          1HD       ARG  52   7.336  -4.911 -10.734
  374    HE   ARG  52           HE       ARG  52   8.320  -5.771  -8.280
  375   1HH1  ARG  52          1HH2      ARG  52   8.584  -6.622 -11.440
  376   2HH1  ARG  52          2HH2      ARG  52   8.949  -8.296 -11.180
  377   1HH2  ARG  52          2HH1      ARG  52   8.168  -8.214  -7.802
  378   2HH2  ARG  52          1HH1      ARG  52   8.713  -9.198  -9.119
  379    H    VAL  53           H        VAL  53   1.964  -3.932  -8.088
  380    HA   VAL  53           HA       VAL  53   1.409  -2.551 -10.554
  381    HB   VAL  53           HB       VAL  53  -0.279  -3.697  -8.314
  382   1HG1  VAL  53          1HG1      VAL  53  -1.701  -3.317 -10.808
  383   2HG1  VAL  53          2HG1      VAL  53  -1.119  -1.770 -10.196
  384   3HG1  VAL  53          3HG1      VAL  53  -2.147  -2.787  -9.187
  385   1HG2  VAL  53          1HG2      VAL  53  -0.071  -4.641 -11.181
  386   2HG2  VAL  53          2HG2      VAL  53  -0.551  -5.555  -9.748
  387   3HG2  VAL  53          3HG2      VAL  53   1.139  -5.109  -9.982
  388    H    TRP  54           H        TRP  54   1.001  -1.690  -7.137
  389    HA   TRP  54           HA       TRP  54  -0.415   0.781  -7.594
  390   1HB   TRP  54          2HB       TRP  54  -0.554  -0.122  -5.425
  391   2HB   TRP  54          1HB       TRP  54   1.173  -0.479  -5.362
  392    HD1  TRP  54           HD1      TRP  54   2.836   1.699  -5.215
  393    HE1  TRP  54           HE1      TRP  54   2.484   3.951  -4.054
  394    HE3  TRP  54           HE3      TRP  54  -2.232   1.587  -4.650
  395    HZ2  TRP  54           HZ2      TRP  54   0.318   5.515  -2.982
  396    HZ3  TRP  54           HZ3      TRP  54  -3.421   3.467  -3.536
  397    HH2  TRP  54           HH2      TRP  54  -2.147   5.428  -2.710
  398    H    GLU  55           H        GLU  55   3.053   0.114  -6.868
  399    HA   GLU  55           HA       GLU  55   4.003   2.745  -6.909
  400   1HB   GLU  55          2HB       GLU  55   5.158   0.108  -7.789
  401   2HB   GLU  55          1HB       GLU  55   6.121   1.587  -7.780
  402   1HG   GLU  55          2HG       GLU  55   4.644   1.316  -5.308
  403   2HG   GLU  55          1HG       GLU  55   5.636  -0.111  -5.597
  404    H    LEU  56           H        LEU  56   3.786   0.555  -9.733
  405    HA   LEU  56           HA       LEU  56   4.544   2.560 -11.654
  406   1HB   LEU  56          2HB       LEU  56   2.842   0.053 -11.920
  407   2HB   LEU  56          1HB       LEU  56   3.606   0.909 -13.258
  408    HG   LEU  56           HG       LEU  56   5.437   0.215 -11.048
  409   1HD1  LEU  56          1HD1      LEU  56   4.755  -2.065 -12.845
  410   2HD1  LEU  56          2HD1      LEU  56   3.662  -1.743 -11.501
  411   3HD1  LEU  56          3HD1      LEU  56   5.365  -2.084 -11.190
  412   1HD2  LEU  56          1HD2      LEU  56   6.916   0.440 -12.754
  413   2HD2  LEU  56          2HD2      LEU  56   5.556   0.880 -13.789
  414   3HD2  LEU  56          3HD2      LEU  56   6.082  -0.799 -13.693
  415    H    SER  57           H        SER  57   1.753   2.145  -9.750
  416    HA   SER  57           HA       SER  57  -0.092   3.522 -11.615
  417   1HB   SER  57          2HB       SER  57  -1.718   2.667 -10.220
  418   2HB   SER  57          1HB       SER  57  -0.427   1.540  -9.836
  419    HG   SER  57           HG       SER  57  -1.403   2.501  -7.974
  420    H    ASP  58           H        ASP  58   1.348   3.958  -8.377
  421    HA   ASP  58           HA       ASP  58   0.298   6.534  -7.792
  422   1HB   ASP  58          2HB       ASP  58   1.877   4.651  -6.590
  423   2HB   ASP  58          1HB       ASP  58   3.056   5.922  -6.916
  424    H    ILE  59           H        ILE  59   0.512   7.534 -10.027
  425    HA   ILE  59           HA       ILE  59   2.939   8.082 -11.353
  426    HB   ILE  59           HB       ILE  59   0.443   9.776 -11.009
  427   1HG1  ILE  59          2HG1      ILE  59   0.068   7.456 -11.847
  428   2HG1  ILE  59          1HG1      ILE  59  -0.298   8.675 -13.069
  429   1HG2  ILE  59          1HG2      ILE  59   1.248  11.210 -12.575
  430   2HG2  ILE  59          2HG2      ILE  59   1.947   9.905 -13.534
  431   3HG2  ILE  59          3HG2      ILE  59   2.828  10.552 -12.149
  432   1HD1  ILE  59          1HD1      ILE  59   0.995   6.966 -14.159
  433   2HD1  ILE  59          2HD1      ILE  59   2.196   6.968 -12.866
  434   3HD1  ILE  59          3HD1      ILE  59   2.061   8.356 -13.946
  435    H    ASP  60           H        ASP  60   1.604   9.514  -8.436
  436    HA   ASP  60           HA       ASP  60   3.810  11.538  -8.401
  437   1HB   ASP  60          2HB       ASP  60   2.323  12.620  -6.696
  438   2HB   ASP  60          1HB       ASP  60   1.534  12.410  -8.260
  439    H    HIS  61           H        HIS  61   2.755   8.592  -6.994
  440    HA   HIS  61           HA       HIS  61   3.628   7.319  -5.202
  441   1HB   HIS  61          2HB       HIS  61   5.868   9.354  -5.419
  442   2HB   HIS  61          1HB       HIS  61   5.989   7.718  -4.773
  443    HD1  HIS  61           HD1      HIS  61   5.325   5.766  -6.602
  444    HD2  HIS  61           HD2      HIS  61   6.410   9.489  -8.133
  445    HE1  HIS  61           HE1      HIS  61   5.917   5.394  -9.035
  446    H    ASP  62           H        ASP  62   1.743   9.252  -4.433
  447    HA   ASP  62           HA       ASP  62   2.932  10.476  -1.972
  448   1HB   ASP  62          2HB       ASP  62   1.106  12.058  -2.146
  449   2HB   ASP  62          1HB       ASP  62   1.822  11.901  -3.751
  450    H    GLY  63           H        GLY  63   1.714   7.641  -2.645
  451   1HA   GLY  63          2HA       GLY  63   0.683   6.042  -1.240
  452   2HA   GLY  63          1HA       GLY  63   0.421   7.318  -0.049
  453    H    MET  64           H        MET  64  -0.618   7.647  -3.391
  454    HA   MET  64           HA       MET  64  -3.422   6.999  -2.661
  455   1HB   MET  64          2HB       MET  64  -2.397   9.712  -3.537
  456   2HB   MET  64          1HB       MET  64  -4.102   9.273  -3.512
  457   1HG   MET  64          2HG       MET  64  -4.085   8.981  -1.144
  458   2HG   MET  64          1HG       MET  64  -2.324   9.086  -1.080
  459   1HE   MET  64          1HE       MET  64  -5.232  12.282  -0.375
  460   2HE   MET  64          2HE       MET  64  -4.686  10.888   0.556
  461   3HE   MET  64          3HE       MET  64  -5.603  10.643  -0.929
  462    H    LEU  65           H        LEU  65  -4.838   6.980  -4.584
  463    HA   LEU  65           HA       LEU  65  -3.308   6.707  -7.145
  464   1HB   LEU  65          2HB       LEU  65  -5.120   4.894  -5.652
  465   2HB   LEU  65          1HB       LEU  65  -5.354   4.936  -7.398
  466    HG   LEU  65           HG       LEU  65  -2.772   4.332  -5.930
  467   1HD1  LEU  65          1HD1      LEU  65  -3.314   2.164  -6.225
  468   2HD1  LEU  65          2HD1      LEU  65  -3.667   2.434  -7.932
  469   3HD1  LEU  65          3HD1      LEU  65  -4.921   2.697  -6.721
  470   1HD2  LEU  65          1HD2      LEU  65  -3.193   5.495  -8.506
  471   2HD2  LEU  65          2HD2      LEU  65  -2.652   3.836  -8.747
  472   3HD2  LEU  65          3HD2      LEU  65  -1.674   4.952  -7.791
  473    H    ASP  66           H        ASP  66  -4.015   8.514  -8.282
  474    HA   ASP  66           HA       ASP  66  -6.654   9.660  -8.029
  475   1HB   ASP  66          2HB       ASP  66  -4.320  10.533  -8.936
  476   2HB   ASP  66          1HB       ASP  66  -4.954   9.939 -10.469
  477    H    ARG  67           H        ARG  67  -8.243   9.692  -9.836
  478    HA   ARG  67           HA       ARG  67  -9.177   7.208 -10.681
  479   1HB   ARG  67          2HB       ARG  67 -10.198   8.601 -12.589
  480   2HB   ARG  67          1HB       ARG  67 -10.537   9.136 -10.945
  481   1HG   ARG  67          2HG       ARG  67  -8.129  10.407 -11.628
  482   2HG   ARG  67          1HG       ARG  67  -9.129  10.522 -13.075
  483   1HD   ARG  67          2HD       ARG  67 -10.469  11.100 -10.470
  484   2HD   ARG  67          1HD       ARG  67  -9.340  12.319 -11.095
  485    HE   ARG  67           HE       ARG  67 -11.081  11.335 -13.189
  486   1HH1  ARG  67          1HH2      ARG  67 -11.913  12.675 -10.247
  487   2HH1  ARG  67          2HH2      ARG  67 -12.667  14.094 -10.896
  488   1HH2  ARG  67          2HH1      ARG  67 -11.617  13.491 -14.145
  489   2HH2  ARG  67          1HH1      ARG  67 -12.499  14.555 -13.101
  490    H    ASP  68           H        ASP  68  -6.836   9.290 -12.351
  491    HA   ASP  68           HA       ASP  68  -6.550   7.522 -14.655
  492   1HB   ASP  68          2HB       ASP  68  -4.913   9.143 -15.309
  493   2HB   ASP  68          1HB       ASP  68  -6.161  10.047 -14.456
  494    H    GLU  69           H        GLU  69  -4.700   8.189 -11.720
  495    HA   GLU  69           HA       GLU  69  -2.504   6.404 -12.274
  496   1HB   GLU  69          2HB       GLU  69  -3.697   7.336  -9.643
  497   2HB   GLU  69          1HB       GLU  69  -2.052   6.749  -9.883
  498   1HG   GLU  69          2HG       GLU  69  -1.781   8.627 -11.595
  499   2HG   GLU  69          1HG       GLU  69  -3.291   9.284 -10.965
  500    H    PHE  70           H        PHE  70  -5.577   6.038 -10.543
  501    HA   PHE  70           HA       PHE  70  -5.203   3.356  -9.613
  502   1HB   PHE  70          2HB       PHE  70  -6.924   5.093  -8.935
  503   2HB   PHE  70          1HB       PHE  70  -7.753   4.774 -10.457
  504    HD1  PHE  70           HD1      PHE  70  -6.935   3.474  -7.124
  505    HD2  PHE  70           HD2      PHE  70  -8.822   2.599 -10.882
  506    HE1  PHE  70           HE1      PHE  70  -8.083   1.533  -6.094
  507    HE2  PHE  70           HE2      PHE  70  -9.974   0.663  -9.849
  508    HZ   PHE  70           HZ       PHE  70  -9.603   0.129  -7.459
  509    H    ALA  71           H        ALA  71  -5.905   4.739 -12.712
  510    HA   ALA  71           HA       ALA  71  -7.134   2.433 -13.959
  511   1HB   ALA  71          1HB       ALA  71  -5.546   4.692 -15.211
  512   2HB   ALA  71          2HB       ALA  71  -7.207   4.883 -14.649
  513   3HB   ALA  71          3HB       ALA  71  -6.842   3.761 -15.960
  514    H    VAL  72           H        VAL  72  -3.826   3.726 -13.830
  515    HA   VAL  72           HA       VAL  72  -2.593   1.803 -15.540
  516    HB   VAL  72           HB       VAL  72  -1.530   3.340 -13.144
  517   1HG1  VAL  72          1HG1      VAL  72  -0.287   1.506 -15.051
  518   2HG1  VAL  72          2HG1      VAL  72   0.366   2.180 -13.558
  519   3HG1  VAL  72          3HG1      VAL  72   0.477   3.097 -15.061
  520   1HG2  VAL  72          1HG2      VAL  72  -2.700   4.571 -15.120
  521   2HG2  VAL  72          2HG2      VAL  72  -1.266   4.122 -16.044
  522   3HG2  VAL  72          3HG2      VAL  72  -1.109   5.135 -14.609
  523    H    ALA  73           H        ALA  73  -3.576   1.697 -12.176
  524    HA   ALA  73           HA       ALA  73  -2.088  -0.803 -11.645
  525   1HB   ALA  73          1HB       ALA  73  -2.133   0.756  -9.877
  526   2HB   ALA  73          2HB       ALA  73  -3.348  -0.437  -9.411
  527   3HB   ALA  73          3HB       ALA  73  -3.846   1.104 -10.112
  528    H    MET  74           H        MET  74  -5.001  -0.079 -13.152
  529    HA   MET  74           HA       MET  74  -6.534  -2.335 -11.999
  530   1HB   MET  74          2HB       MET  74  -6.983  -0.237 -14.136
  531   2HB   MET  74          1HB       MET  74  -8.145  -1.532 -13.844
  532   1HG   MET  74          2HG       MET  74  -7.175   0.028 -11.488
  533   2HG   MET  74          1HG       MET  74  -8.334   0.801 -12.570
  534   1HE   MET  74          1HE       MET  74  -8.307  -2.884 -10.201
  535   2HE   MET  74          2HE       MET  74  -8.775  -1.533  -9.172
  536   3HE   MET  74          3HE       MET  74  -7.314  -1.420 -10.150
  537    H    PHE  75           H        PHE  75  -5.074  -1.437 -15.128
  538    HA   PHE  75           HA       PHE  75  -5.614  -4.070 -16.273
  539   1HB   PHE  75          2HB       PHE  75  -4.742  -3.117 -18.223
  540   2HB   PHE  75          1HB       PHE  75  -5.301  -1.685 -17.368
  541    HD1  PHE  75           HD1      PHE  75  -2.308  -3.778 -18.072
  542    HD2  PHE  75           HD2      PHE  75  -3.784  -0.002 -16.659
  543    HE1  PHE  75           HE1      PHE  75  -0.003  -2.865 -18.110
  544    HE2  PHE  75           HE2      PHE  75  -1.484   0.911 -16.696
  545    HZ   PHE  75           HZ       PHE  75   0.411  -0.518 -17.420
  546    H    LEU  76           H        LEU  76  -3.228  -2.617 -14.269
  547    HA   LEU  76           HA       LEU  76  -1.044  -4.469 -14.855
  548   1HB   LEU  76          2HB       LEU  76  -1.698  -2.229 -13.014
  549   2HB   LEU  76          1HB       LEU  76  -0.501  -3.381 -12.430
  550    HG   LEU  76           HG       LEU  76  -0.392  -1.873 -15.056
  551   1HD1  LEU  76          1HD1      LEU  76   1.415  -0.650 -14.098
  552   2HD1  LEU  76          2HD1      LEU  76   1.536  -1.755 -12.729
  553   3HD1  LEU  76          3HD1      LEU  76   0.159  -0.662 -12.860
  554   1HD2  LEU  76          1HD2      LEU  76   2.064  -3.018 -14.687
  555   2HD2  LEU  76          2HD2      LEU  76   0.792  -3.717 -15.688
  556   3HD2  LEU  76          3HD2      LEU  76   1.008  -4.266 -14.027
  557    H    VAL  77           H        VAL  77  -3.877  -4.396 -12.841
  558    HA   VAL  77           HA       VAL  77  -2.985  -6.676 -11.166
  559    HB   VAL  77           HB       VAL  77  -5.405  -4.839 -11.303
  560   1HG1  VAL  77          1HG1      VAL  77  -5.633  -6.276  -8.941
  561   2HG1  VAL  77          2HG1      VAL  77  -5.156  -7.517 -10.101
  562   3HG1  VAL  77          3HG1      VAL  77  -6.600  -6.548 -10.391
  563   1HG2  VAL  77          1HG2      VAL  77  -3.358  -3.949 -10.261
  564   2HG2  VAL  77          2HG2      VAL  77  -3.276  -5.350  -9.195
  565   3HG2  VAL  77          3HG2      VAL  77  -4.607  -4.204  -9.046
  566    H    TYR  78           H        TYR  78  -5.547  -5.898 -13.528
  567    HA   TYR  78           HA       TYR  78  -6.765  -8.468 -13.601
  568   1HB   TYR  78          2HB       TYR  78  -6.688  -5.977 -15.184
  569   2HB   TYR  78          1HB       TYR  78  -7.199  -7.413 -16.075
  570    HD1  TYR  78           HD1      TYR  78  -8.592  -4.760 -14.553
  571    HD2  TYR  78           HD2      TYR  78  -8.596  -9.038 -14.172
  572    HE1  TYR  78           HE1      TYR  78 -10.809  -4.658 -13.449
  573    HE2  TYR  78           HE2      TYR  78 -10.813  -8.937 -13.067
  574    HH   TYR  78           HH       TYR  78 -12.737  -6.112 -13.051
  575    H    CYS  79           H        CYS  79  -3.885  -7.244 -15.236
  576    HA   CYS  79           HA       CYS  79  -3.760  -9.498 -17.113
  577   1HB   CYS  79          2HB       CYS  79  -2.763  -6.931 -16.965
  578   2HB   CYS  79          1HB       CYS  79  -1.341  -7.903 -16.590
  579    HG   CYS  79           HG       CYS  79  -2.903  -7.980 -19.277
  580    H    ALA  80           H        ALA  80  -2.905  -8.986 -13.831
  581    HA   ALA  80           HA       ALA  80  -0.626 -10.834 -13.811
  582   1HB   ALA  80          1HB       ALA  80  -2.217  -9.218 -11.846
  583   2HB   ALA  80          2HB       ALA  80  -0.481  -9.193 -12.156
  584   3HB   ALA  80          3HB       ALA  80  -1.194 -10.520 -11.238
  585    H    LEU  81           H        LEU  81  -4.062 -11.006 -13.591
  586    HA   LEU  81           HA       LEU  81  -4.080 -13.640 -12.258
  587   1HB   LEU  81          2HB       LEU  81  -6.314 -12.063 -13.535
  588   2HB   LEU  81          1HB       LEU  81  -6.463 -13.318 -12.301
  589    HG   LEU  81           HG       LEU  81  -4.633 -11.361 -11.345
  590   1HD1  LEU  81          1HD1      LEU  81  -7.285 -10.231 -12.278
  591   2HD1  LEU  81          2HD1      LEU  81  -5.727  -9.905 -13.042
  592   3HD1  LEU  81          3HD1      LEU  81  -6.030  -9.368 -11.386
  593   1HD2  LEU  81          1HD2      LEU  81  -6.707 -11.041  -9.759
  594   2HD2  LEU  81          2HD2      LEU  81  -5.842 -12.582  -9.776
  595   3HD2  LEU  81          3HD2      LEU  81  -7.358 -12.412 -10.659
  596    H    GLU  82           H        GLU  82  -4.870 -12.227 -15.396
  597    HA   GLU  82           HA       GLU  82  -5.756 -14.650 -16.641
  598   1HB   GLU  82          2HB       GLU  82  -6.149 -12.201 -17.261
  599   2HB   GLU  82          1HB       GLU  82  -4.519 -12.211 -17.933
  600   1HG   GLU  82          2HG       GLU  82  -6.071 -12.683 -19.727
  601   2HG   GLU  82          1HG       GLU  82  -5.193 -14.169 -19.359
  602    H    LYS  83           H        LYS  83  -2.748 -12.804 -17.136
  603    HA   LYS  83           HA       LYS  83  -0.981 -15.036 -16.968
  604   1HB   LYS  83          2HB       LYS  83  -2.667 -15.249 -19.117
  605   2HB   LYS  83          1HB       LYS  83  -1.247 -14.502 -19.843
  606   1HG   LYS  83          2HG       LYS  83  -0.350 -16.546 -18.061
  607   2HG   LYS  83          1HG       LYS  83  -1.605 -17.233 -19.092
  608   1HD   LYS  83          2HD       LYS  83   0.142 -17.512 -20.544
  609   2HD   LYS  83          1HD       LYS  83  -0.212 -15.831 -20.942
  610   1HE   LYS  83          2HE       LYS  83   1.419 -15.421 -18.830
  611   2HE   LYS  83          1HE       LYS  83   2.079 -16.963 -19.412
  612   1HZ   LYS  83          1HZ       LYS  83   1.590 -14.529 -21.047
  613   2HZ   LYS  83          2HZ       LYS  83   2.106 -16.026 -21.665
  614   3HZ   LYS  83          3HZ       LYS  83   3.105 -15.150 -20.606
  615    H    GLU  84           H        GLU  84  -0.709 -12.315 -16.240
  616    HA   GLU  84           HA       GLU  84   1.668 -11.597 -17.870
  617   1HB   GLU  84          2HB       GLU  84  -0.653 -10.588 -18.651
  618   2HB   GLU  84          1HB       GLU  84  -0.372  -9.470 -17.315
  619   1HG   GLU  84          2HG       GLU  84   0.551  -8.585 -19.433
  620   2HG   GLU  84          1HG       GLU  84   1.827  -8.887 -18.253
  621    HA   PRO  85           HA       PRO  85   2.663 -10.829 -13.546
  622   1HB   PRO  85          2HB       PRO  85   5.361 -10.591 -13.983
  623   2HB   PRO  85          1HB       PRO  85   4.539 -12.157 -13.825
  624   1HG   PRO  85          2HG       PRO  85   5.380 -10.703 -16.290
  625   2HG   PRO  85          1HG       PRO  85   5.488 -12.431 -15.908
  626   1HD   PRO  85          2HD       PRO  85   3.554 -11.417 -17.501
  627   2HD   PRO  85          1HD       PRO  85   3.283 -12.824 -16.448
  628    H    VAL  86           H        VAL  86   3.725  -8.909 -12.479
  629    HA   VAL  86           HA       VAL  86   3.494  -6.496 -14.235
  630    HB   VAL  86           HB       VAL  86   3.149  -6.949 -11.257
  631   1HG1  VAL  86          1HG1      VAL  86   4.101  -4.740 -11.623
  632   2HG1  VAL  86          2HG1      VAL  86   2.386  -4.561 -11.251
  633   3HG1  VAL  86          3HG1      VAL  86   2.947  -4.419 -12.917
  634   1HG2  VAL  86          1HG2      VAL  86   0.876  -5.790 -12.506
  635   2HG2  VAL  86          2HG2      VAL  86   1.020  -7.413 -11.829
  636   3HG2  VAL  86          3HG2      VAL  86   1.389  -7.132 -13.531
  637    HA   PRO  87           HA       PRO  87   7.851  -6.151 -13.275
  638   1HB   PRO  87          2HB       PRO  87   8.393  -4.273 -15.188
  639   2HB   PRO  87          1HB       PRO  87   8.226  -5.999 -15.563
  640   1HG   PRO  87          2HG       PRO  87   6.362  -3.774 -16.072
  641   2HG   PRO  87          1HG       PRO  87   6.564  -5.303 -16.936
  642   1HD   PRO  87          2HD       PRO  87   4.543  -4.675 -15.080
  643   2HD   PRO  87          1HD       PRO  87   4.914  -6.280 -15.744
  644    H    MET  88           H        MET  88   9.232  -4.020 -12.823
  645    HA   MET  88           HA       MET  88   7.489  -2.196 -11.226
  646   1HB   MET  88          2HB       MET  88  10.499  -2.259 -11.341
  647   2HB   MET  88          1HB       MET  88   9.475  -1.684 -10.032
  648   1HG   MET  88          2HG       MET  88   9.115  -3.795  -9.200
  649   2HG   MET  88          1HG       MET  88   9.148  -4.545 -10.794
  650   1HE   MET  88          1HE       MET  88  11.147  -6.458 -10.924
  651   2HE   MET  88          2HE       MET  88  12.483  -5.537 -11.608
  652   3HE   MET  88          3HE       MET  88  10.828  -5.151 -12.072
  653    H    SER  89           H        SER  89   8.355  -2.192 -14.327
  654    HA   SER  89           HA       SER  89   9.499   0.537 -14.344
  655   1HB   SER  89          2HB       SER  89   9.034  -1.457 -16.573
  656   2HB   SER  89          1HB       SER  89  10.025  -0.003 -16.663
  657    HG   SER  89           HG       SER  89  11.313  -1.816 -16.243
  658    H    LEU  90           H        LEU  90   8.053   2.134 -14.375
  659    HA   LEU  90           HA       LEU  90   5.461   1.733 -15.790
  660   1HB   LEU  90          2HB       LEU  90   4.923   2.635 -13.740
  661   2HB   LEU  90          1HB       LEU  90   6.538   3.291 -13.504
  662    HG   LEU  90           HG       LEU  90   6.055   5.209 -14.817
  663   1HD1  LEU  90          1HD1      LEU  90   4.592   5.182 -16.546
  664   2HD1  LEU  90          2HD1      LEU  90   3.263   4.742 -15.471
  665   3HD1  LEU  90          3HD1      LEU  90   4.280   3.486 -16.176
  666   1HD2  LEU  90          1HD2      LEU  90   3.964   4.391 -12.843
  667   2HD2  LEU  90          2HD2      LEU  90   3.713   5.878 -13.755
  668   3HD2  LEU  90          3HD2      LEU  90   5.145   5.696 -12.743
  669    HA   PRO  91           HA       PRO  91   8.134   3.867 -18.870
  670   1HB   PRO  91          2HB       PRO  91   6.650   3.001 -21.017
  671   2HB   PRO  91          1HB       PRO  91   7.954   2.048 -20.276
  672   1HG   PRO  91          2HG       PRO  91   5.003   1.880 -19.816
  673   2HG   PRO  91          1HG       PRO  91   6.174   0.573 -20.072
  674   1HD   PRO  91          2HD       PRO  91   5.325   1.169 -17.615
  675   2HD   PRO  91          1HD       PRO  91   7.026   0.734 -17.915
  676    HA   PRO  92           HA       PRO  92   5.666   7.373 -19.697
  677   1HB   PRO  92          2HB       PRO  92   6.255   8.002 -22.296
  678   2HB   PRO  92          1HB       PRO  92   7.402   8.231 -20.961
  679   1HG   PRO  92          2HG       PRO  92   7.261   6.055 -22.985
  680   2HG   PRO  92          1HG       PRO  92   8.677   6.858 -22.287
  681   1HD   PRO  92          2HD       PRO  92   7.804   4.392 -21.507
  682   2HD   PRO  92          1HD       PRO  92   8.702   5.499 -20.445
  683    H    ALA  93           H        ALA  93   5.145   4.546 -21.600
  684    HA   ALA  93           HA       ALA  93   2.897   5.542 -23.155
  685   1HB   ALA  93          1HB       ALA  93   3.087   2.662 -22.513
  686   2HB   ALA  93          2HB       ALA  93   4.565   3.354 -23.183
  687   3HB   ALA  93          3HB       ALA  93   3.053   3.457 -24.086
  688    H    LEU  94           H        LEU  94   3.375   4.770 -19.885
  689    HA   LEU  94           HA       LEU  94   0.549   3.981 -19.444
  690   1HB   LEU  94          2HB       LEU  94   3.152   3.847 -17.969
  691   2HB   LEU  94          1HB       LEU  94   1.658   3.814 -17.032
  692    HG   LEU  94           HG       LEU  94   2.575   1.540 -17.752
  693   1HD1  LEU  94          1HD1      LEU  94  -0.179   2.602 -18.149
  694   2HD1  LEU  94          2HD1      LEU  94   0.391   1.331 -17.066
  695   3HD1  LEU  94          3HD1      LEU  94   0.149   0.987 -18.780
  696   1HD2  LEU  94          1HD2      LEU  94   2.135   0.880 -20.075
  697   2HD2  LEU  94          2HD2      LEU  94   3.216   2.274 -20.047
  698   3HD2  LEU  94          3HD2      LEU  94   1.511   2.491 -20.431
  699    H    VAL  95           H        VAL  95   2.732   6.669 -19.085
  700    HA   VAL  95           HA       VAL  95   1.338   8.100 -17.010
  701    HB   VAL  95           HB       VAL  95   3.119   9.015 -19.290
  702   1HG1  VAL  95          1HG1      VAL  95   2.685  11.094 -18.537
  703   2HG1  VAL  95          2HG1      VAL  95   3.450  10.638 -17.015
  704   3HG1  VAL  95          3HG1      VAL  95   1.706  10.460 -17.213
  705   1HG2  VAL  95          1HG2      VAL  95   4.723   7.899 -18.161
  706   2HG2  VAL  95          2HG2      VAL  95   3.600   7.504 -16.859
  707   3HG2  VAL  95          3HG2      VAL  95   4.483   9.030 -16.829
  708    HA   PRO  96           HA       PRO  96  -2.132   9.274 -19.545
  709   1HB   PRO  96          2HB       PRO  96  -3.347  10.855 -17.670
  710   2HB   PRO  96          1HB       PRO  96  -3.419   9.082 -17.629
  711   1HG   PRO  96          2HG       PRO  96  -1.698  10.943 -16.067
  712   2HG   PRO  96          1HG       PRO  96  -2.503   9.451 -15.555
  713   1HD   PRO  96          2HD       PRO  96   0.151   9.592 -16.159
  714   2HD   PRO  96          1HD       PRO  96  -0.820   8.116 -16.348
  715    HA   PRO  97           HA       PRO  97  -1.093  13.287 -20.997
  716   1HB   PRO  97          2HB       PRO  97  -3.531  14.397 -21.564
  717   2HB   PRO  97          1HB       PRO  97  -2.811  13.100 -22.539
  718   1HG   PRO  97          2HG       PRO  97  -4.932  12.947 -20.460
  719   2HG   PRO  97          1HG       PRO  97  -4.775  12.057 -21.982
  720   1HD   PRO  97          2HD       PRO  97  -4.157  11.006 -19.534
  721   2HD   PRO  97          1HD       PRO  97  -3.422  10.463 -21.058
  722    H    SER  98           H        SER  98  -3.261  13.028 -18.276
  723    HA   SER  98           HA       SER  98  -3.261  15.862 -17.600
  724   1HB   SER  98          2HB       SER  98  -4.867  15.105 -16.189
  725   2HB   SER  98          1HB       SER  98  -4.594  13.499 -16.855
  726    HG   SER  98           HG       SER  98  -2.968  13.221 -15.261
  727    H    LYS  99           H        LYS  99  -0.981  13.344 -17.342
  728    HA   LYS  99           HA       LYS  99   0.396  14.479 -14.981
  729   1HB   LYS  99          2HB       LYS  99   0.412  12.106 -15.130
  730   2HB   LYS  99          1HB       LYS  99   0.777  12.136 -16.855
  731   1HG   LYS  99          2HG       LYS  99   2.772  11.530 -15.516
  732   2HG   LYS  99          1HG       LYS  99   3.011  13.046 -16.384
  733   1HD   LYS  99          2HD       LYS  99   2.478  14.324 -14.366
  734   2HD   LYS  99          1HD       LYS  99   2.139  12.832 -13.487
  735   1HE   LYS  99          2HE       LYS  99   4.364  12.335 -13.215
  736   2HE   LYS  99          1HE       LYS  99   4.802  12.980 -14.808
  737   1HZ   LYS  99          1HZ       LYS  99   5.081  14.272 -12.391
  738   2HZ   LYS  99          2HZ       LYS  99   3.740  15.016 -13.123
  739   3HZ   LYS  99          3HZ       LYS  99   5.234  14.965 -13.931
  740    H    ARG 100           H        ARG 100   0.191  15.149 -18.272
  741    HA   ARG 100           HA       ARG 100   3.036  15.902 -18.638
  742   1HB   ARG 100          2HB       ARG 100   0.536  16.143 -20.350
  743   2HB   ARG 100          1HB       ARG 100   2.164  16.538 -20.902
  744   1HG   ARG 100          2HG       ARG 100   2.840  14.176 -20.285
  745   2HG   ARG 100          1HG       ARG 100   1.130  13.831 -20.025
  746   1HD   ARG 100          2HD       ARG 100   0.597  14.260 -22.327
  747   2HD   ARG 100          1HD       ARG 100   2.199  14.960 -22.632
  748    HE   ARG 100           HE       ARG 100   2.341  12.244 -21.583
  749   1HH1  ARG 100          1HH2      ARG 100   3.745  14.030 -23.871
  750   2HH1  ARG 100          2HH2      ARG 100   3.556  12.924 -25.190
  751   1HH2  ARG 100          2HH1      ARG 100   1.316  10.882 -23.509
  752   2HH2  ARG 100          1HH1      ARG 100   2.183  11.143 -24.985
  753    H    SER 107           1H       SER 107   4.512   5.791   4.639
  754    HA   SER 107           HA       SER 107   2.111   6.783   3.297
  755   1HB   SER 107          2HB       SER 107   3.456   8.584   4.727
  756   2HB   SER 107          1HB       SER 107   4.564   8.501   3.363
  757    HG   SER 107           HG       SER 107   2.876  10.078   3.125
  758    H    THR 108           H        THR 108   3.030   4.536   2.457
  759    HA   THR 108           HA       THR 108   4.560   5.121   0.018
  760    HB   THR 108           HB       THR 108   5.784   2.959   1.632
  761    HG1  THR 108           HG1      THR 108   6.678   4.277   3.105
  762   1HG2  THR 108          1HG2      THR 108   6.837   3.547  -0.418
  763   2HG2  THR 108          2HG2      THR 108   7.848   4.252   0.842
  764   3HG2  THR 108          3HG2      THR 108   6.731   5.272  -0.065
  765    H    ASN 109           H        ASN 109   5.124   2.660  -0.908
  766    HA   ASN 109           HA       ASN 109   2.774   1.506  -1.800
  767   1HB   ASN 109          2HB       ASN 109   5.161   1.025  -2.452
  768   2HB   ASN 109          1HB       ASN 109   5.285  -0.009  -1.025
  769   1HD2  ASN 109          1HD2      ASN 109   3.187   0.447  -3.914
  770   2HD2  ASN 109          2HD2      ASN 109   2.865  -1.200  -4.133
  771    HA   PRO 110           HA       PRO 110   1.210   0.148   2.207
  772   1HB   PRO 110          2HB       PRO 110  -1.328  -0.334   1.289
  773   2HB   PRO 110          1HB       PRO 110  -0.739   1.285   1.720
  774   1HG   PRO 110          2HG       PRO 110  -1.007   0.023  -0.965
  775   2HG   PRO 110          1HG       PRO 110  -1.355   1.683  -0.457
  776   1HD   PRO 110          2HD       PRO 110   0.907   0.994  -1.784
  777   2HD   PRO 110          1HD       PRO 110   0.837   2.339  -0.625
  778    H    PHE 111           H        PHE 111   2.012  -1.607  -0.507
  779    HA   PHE 111           HA       PHE 111   0.758  -4.132   0.484
  780   1HB   PHE 111          2HB       PHE 111   2.348  -3.798  -2.059
  781   2HB   PHE 111          1HB       PHE 111   1.073  -4.963  -1.712
  782    HD1  PHE 111           HD1      PHE 111   1.742  -1.341  -2.275
  783    HD2  PHE 111           HD2      PHE 111  -1.230  -4.454  -2.198
  784    HE1  PHE 111           HE1      PHE 111   0.080   0.217  -3.231
  785    HE2  PHE 111           HE2      PHE 111  -2.879  -2.882  -3.147
  786    HZ   PHE 111           HZ       PHE 111  -2.228  -0.547  -3.664
  787    H    ARG 112           HN       ARG 112   3.903  -2.971  -0.759
  788    HA   ARG 112           HA       ARG 112   5.473  -5.173   0.079
  789   1HB   ARG 112          2HB       ARG 112   5.928  -2.247  -0.450
  790   2HB   ARG 112          1HB       ARG 112   7.262  -3.239   0.142
  791   1HG   ARG 112          2HG       ARG 112   5.929  -4.683  -1.937
  792   2HG   ARG 112          1HG       ARG 112   6.264  -3.053  -2.524
  793   1HD   ARG 112          2HD       ARG 112   8.327  -4.861  -1.210
  794   2HD   ARG 112          1HD       ARG 112   8.182  -4.588  -2.957
  795    HE   ARG 112           HE       ARG 112   8.264  -2.064  -1.594
  796   1HH1  ARG 112          1HH2      ARG 112  10.453  -4.403  -0.897
  797   2HH1  ARG 112          2HH2      ARG 112  11.813  -3.657  -1.667
  798   1HH2  ARG 112          1HH1      ARG 112   9.921  -1.250  -3.288
  799   2HH2  ARG 112          2HH1      ARG 112  11.513  -1.876  -3.019
  Start of MODEL   12
    1    HA   PRO   6           HA       PRO   6  -1.757   7.156 -26.387
    2   1HB   PRO   6          2HB       PRO   6  -3.259   4.884 -26.651
    3   2HB   PRO   6          1HB       PRO   6  -3.046   6.058 -27.964
    4   1HG   PRO   6          2HG       PRO   6  -1.696   3.442 -27.528
    5   2HG   PRO   6          1HG       PRO   6  -2.251   4.189 -29.034
    6   1HD   PRO   6          2HD       PRO   6   0.358   4.173 -28.225
    7   2HD   PRO   6          1HD       PRO   6  -0.340   5.424 -29.278
    8    H    TRP   7           H        TRP   7  -3.228   5.958 -24.596
    9    HA   TRP   7           HA       TRP   7  -1.355   5.039 -22.508
   10   1HB   TRP   7          2HB       TRP   7  -3.103   6.788 -22.169
   11   2HB   TRP   7          1HB       TRP   7  -4.342   5.579 -22.498
   12    HD1  TRP   7           HD1      TRP   7  -1.482   4.143 -20.658
   13    HE1  TRP   7           HE1      TRP   7  -2.080   3.816 -18.171
   14    HE3  TRP   7           HE3      TRP   7  -5.805   6.839 -20.446
   15    HZ2  TRP   7           HZ2      TRP   7  -4.133   4.607 -16.331
   16    HZ3  TRP   7           HZ3      TRP   7  -7.062   7.041 -18.319
   17    HH2  TRP   7           HH2      TRP   7  -6.232   5.929 -16.265
   18    H    ALA   8           H        ALA   8  -1.123   2.892 -21.995
   19    HA   ALA   8           HA       ALA   8  -2.119   0.746 -23.450
   20   1HB   ALA   8          1HB       ALA   8  -1.794   0.431 -20.511
   21   2HB   ALA   8          2HB       ALA   8  -0.424   1.074 -21.420
   22   3HB   ALA   8          3HB       ALA   8  -1.082  -0.509 -21.824
   23    H    VAL   9           H        VAL   9  -3.726   2.548 -20.909
   24    HA   VAL   9           HA       VAL   9  -5.861   0.542 -20.583
   25    HB   VAL   9           HB       VAL   9  -5.417   3.348 -19.517
   26   1HG1  VAL   9          1HG1      VAL   9  -7.833   2.562 -19.612
   27   2HG1  VAL   9          2HG1      VAL   9  -7.232   2.935 -17.997
   28   3HG1  VAL   9          3HG1      VAL   9  -7.369   1.256 -18.522
   29   1HG2  VAL   9          1HG2      VAL   9  -4.848   2.116 -17.427
   30   2HG2  VAL   9          2HG2      VAL   9  -3.751   1.716 -18.749
   31   3HG2  VAL   9          3HG2      VAL   9  -5.033   0.593 -18.298
   32    H    LYS  10           H        LYS  10  -7.990   0.798 -21.296
   33    HA   LYS  10           HA       LYS  10  -8.391   2.716 -23.542
   34   1HB   LYS  10          2HB       LYS  10  -9.635   0.144 -22.563
   35   2HB   LYS  10          1HB       LYS  10 -10.451   1.131 -23.772
   36   1HG   LYS  10          2HG       LYS  10  -8.757   0.814 -25.362
   37   2HG   LYS  10          1HG       LYS  10  -7.561   0.382 -24.139
   38   1HD   LYS  10          2HD       LYS  10  -9.315  -1.598 -23.695
   39   2HD   LYS  10          1HD       LYS  10  -9.679  -1.299 -25.395
   40   1HE   LYS  10          2HE       LYS  10  -6.962  -1.292 -25.497
   41   2HE   LYS  10          1HE       LYS  10  -7.230  -2.445 -24.174
   42   1HZ   LYS  10          1HZ       LYS  10  -8.883  -3.569 -25.566
   43   2HZ   LYS  10          2HZ       LYS  10  -7.347  -3.587 -26.291
   44   3HZ   LYS  10          3HZ       LYS  10  -8.537  -2.508 -26.844
   45    HA   PRO  11           HA       PRO  11 -11.338   5.160 -21.364
   46   1HB   PRO  11          2HB       PRO  11 -13.496   5.261 -23.059
   47   2HB   PRO  11          1HB       PRO  11 -11.992   6.163 -23.347
   48   1HG   PRO  11          2HG       PRO  11 -12.889   3.562 -24.508
   49   2HG   PRO  11          1HG       PRO  11 -12.103   4.939 -25.303
   50   1HD   PRO  11          2HD       PRO  11 -10.733   2.732 -24.610
   51   2HD   PRO  11          1HD       PRO  11 -10.001   4.350 -24.540
   52    H    GLU  12           H        GLU  12 -12.588   2.146 -22.738
   53    HA   GLU  12           HA       GLU  12 -14.890   1.927 -20.988
   54   1HB   GLU  12          2HB       GLU  12 -14.941  -0.358 -21.903
   55   2HB   GLU  12          1HB       GLU  12 -14.591   0.795 -23.190
   56   1HG   GLU  12          2HG       GLU  12 -12.855  -0.614 -23.641
   57   2HG   GLU  12          1HG       GLU  12 -12.072   0.245 -22.314
   58    H    ASP  13           H        ASP  13 -11.487   1.133 -20.716
   59    HA   ASP  13           HA       ASP  13 -11.804  -0.640 -18.410
   60   1HB   ASP  13          2HB       ASP  13  -9.714   0.385 -20.201
   61   2HB   ASP  13          1HB       ASP  13  -9.176   0.265 -18.524
   62    H    LYS  14           H        LYS  14 -10.854   2.715 -19.033
   63    HA   LYS  14           HA       LYS  14 -10.304   3.425 -16.307
   64   1HB   LYS  14          2HB       LYS  14  -9.513   4.731 -18.195
   65   2HB   LYS  14          1HB       LYS  14 -11.164   4.985 -18.758
   66   1HG   LYS  14          2HG       LYS  14 -10.736   6.991 -17.640
   67   2HG   LYS  14          1HG       LYS  14 -11.520   6.040 -16.380
   68   1HD   LYS  14          2HD       LYS  14  -9.693   6.353 -15.102
   69   2HD   LYS  14          1HD       LYS  14  -8.793   5.353 -16.244
   70   1HE   LYS  14          2HE       LYS  14  -7.529   7.266 -16.471
   71   2HE   LYS  14          1HE       LYS  14  -8.827   7.731 -17.589
   72   1HZ   LYS  14          1HZ       LYS  14  -8.804   9.476 -16.082
   73   2HZ   LYS  14          2HZ       LYS  14  -8.478   8.470 -14.754
   74   3HZ   LYS  14          3HZ       LYS  14 -10.025   8.477 -15.456
   75    H    ALA  15           H        ALA  15 -13.184   2.790 -18.043
   76    HA   ALA  15           HA       ALA  15 -15.005   4.449 -16.476
   77   1HB   ALA  15          1HB       ALA  15 -15.056   2.437 -18.647
   78   2HB   ALA  15          2HB       ALA  15 -16.011   3.908 -18.465
   79   3HB   ALA  15          3HB       ALA  15 -16.488   2.435 -17.619
   80    H    LYS  16           H        LYS  16 -13.854   1.107 -16.452
   81    HA   LYS  16           HA       LYS  16 -15.518   0.342 -14.147
   82   1HB   LYS  16          2HB       LYS  16 -13.096  -1.171 -15.093
   83   2HB   LYS  16          1HB       LYS  16 -14.667  -1.799 -14.593
   84   1HG   LYS  16          2HG       LYS  16 -15.543  -0.540 -16.712
   85   2HG   LYS  16          1HG       LYS  16 -13.859  -0.598 -17.222
   86   1HD   LYS  16          2HD       LYS  16 -14.768  -3.170 -16.178
   87   2HD   LYS  16          1HD       LYS  16 -15.741  -2.637 -17.549
   88   1HE   LYS  16          2HE       LYS  16 -13.309  -2.049 -18.540
   89   2HE   LYS  16          1HE       LYS  16 -12.854  -3.384 -17.461
   90   1HZ   LYS  16          1HZ       LYS  16 -15.091  -3.460 -19.419
   91   2HZ   LYS  16          2HZ       LYS  16 -14.595  -4.734 -18.412
   92   3HZ   LYS  16          3HZ       LYS  16 -13.575  -4.184 -19.654
   93    H    TYR  17           H        TYR  17 -12.181   1.170 -14.919
   94    HA   TYR  17           HA       TYR  17 -11.053   0.834 -12.302
   95   1HB   TYR  17          2HB       TYR  17 -10.384   2.745 -14.574
   96   2HB   TYR  17          1HB       TYR  17  -9.305   2.335 -13.246
   97    HD1  TYR  17           HD1      TYR  17 -11.155  -0.570 -13.957
   98    HD2  TYR  17           HD2      TYR  17  -7.955   1.837 -15.515
   99    HE1  TYR  17           HE1      TYR  17 -10.311  -2.515 -15.233
  100    HE2  TYR  17           HE2      TYR  17  -7.098  -0.114 -16.781
  101    HH   TYR  17           HH       TYR  17  -8.712  -2.633 -17.581
  102    H    ASP  18           H        ASP  18 -13.088   3.194 -13.835
  103    HA   ASP  18           HA       ASP  18 -12.614   5.280 -11.790
  104   1HB   ASP  18          2HB       ASP  18 -13.052   6.058 -13.990
  105   2HB   ASP  18          1HB       ASP  18 -14.372   4.912 -14.223
  106    H    ALA  19           H        ALA  19 -14.824   2.629 -12.385
  107    HA   ALA  19           HA       ALA  19 -16.858   3.573 -10.487
  108   1HB   ALA  19          1HB       ALA  19 -18.018   1.986 -11.617
  109   2HB   ALA  19          2HB       ALA  19 -16.922   0.742 -11.018
  110   3HB   ALA  19          3HB       ALA  19 -16.555   1.592 -12.519
  111    H    ILE  20           H        ILE  20 -14.031   1.488 -10.537
  112    HA   ILE  20           HA       ILE  20 -14.434   0.423  -7.851
  113    HB   ILE  20           HB       ILE  20 -12.180   0.491  -9.881
  114   1HG1  ILE  20          2HG1      ILE  20 -13.754  -1.892  -8.895
  115   2HG1  ILE  20          1HG1      ILE  20 -14.327  -0.896 -10.234
  116   1HG2  ILE  20          1HG2      ILE  20 -12.286  -1.098  -7.310
  117   2HG2  ILE  20          2HG2      ILE  20 -11.355   0.383  -7.517
  118   3HG2  ILE  20          3HG2      ILE  20 -10.962  -1.045  -8.474
  119   1HD1  ILE  20          1HD1      ILE  20 -11.637  -2.294 -10.109
  120   2HD1  ILE  20          2HD1      ILE  20 -12.217  -1.301 -11.448
  121   3HD1  ILE  20          3HD1      ILE  20 -13.023  -2.822 -11.064
  122    H    PHE  21           H        PHE  21 -12.659   3.008  -9.452
  123    HA   PHE  21           HA       PHE  21 -11.123   3.853  -7.166
  124   1HB   PHE  21          2HB       PHE  21 -10.229   4.627  -9.150
  125   2HB   PHE  21          1HB       PHE  21 -11.811   4.777  -9.909
  126    HD1  PHE  21           HD1      PHE  21  -9.207   6.478  -8.017
  127    HD2  PHE  21           HD2      PHE  21 -13.275   6.734  -9.371
  128    HE1  PHE  21           HE1      PHE  21  -9.209   8.911  -7.547
  129    HE2  PHE  21           HE2      PHE  21 -13.279   9.168  -8.902
  130    HZ   PHE  21           HZ       PHE  21 -11.249  10.257  -7.987
  131    H    ASP  22           H        ASP  22 -14.230   4.778  -8.572
  132    HA   ASP  22           HA       ASP  22 -14.734   6.813  -6.502
  133   1HB   ASP  22          2HB       ASP  22 -15.465   7.312  -8.719
  134   2HB   ASP  22          1HB       ASP  22 -16.209   5.721  -8.908
  135    H    SER  23           H        SER  23 -14.871   3.509  -6.532
  136    HA   SER  23           HA       SER  23 -17.449   3.208  -5.106
  137   1HB   SER  23          2HB       SER  23 -16.912   1.441  -6.600
  138   2HB   SER  23          1HB       SER  23 -15.227   1.410  -6.088
  139    HG   SER  23           HG       SER  23 -17.512   0.368  -4.854
  140    H    LEU  24           H        LEU  24 -14.287   4.081  -4.389
  141    HA   LEU  24           HA       LEU  24 -14.372   3.003  -1.600
  142   1HB   LEU  24          2HB       LEU  24 -12.046   4.428  -2.862
  143   2HB   LEU  24          1HB       LEU  24 -12.033   3.112  -1.691
  144    HG   LEU  24           HG       LEU  24 -12.968   2.785  -4.550
  145   1HD1  LEU  24          1HD1      LEU  24 -10.339   3.242  -3.659
  146   2HD1  LEU  24          2HD1      LEU  24 -10.825   2.599  -5.230
  147   3HD1  LEU  24          3HD1      LEU  24 -10.450   1.500  -3.902
  148   1HD2  LEU  24          1HD2      LEU  24 -13.349   1.190  -2.346
  149   2HD2  LEU  24          2HD2      LEU  24 -11.851   0.536  -3.006
  150   3HD2  LEU  24          3HD2      LEU  24 -13.302   0.597  -4.006
  151    H    SER  25           H        SER  25 -14.816   5.790  -3.494
  152    HA   SER  25           HA       SER  25 -15.589   7.943  -2.760
  153   1HB   SER  25          2HB       SER  25 -14.374   7.399  -0.059
  154   2HB   SER  25          1HB       SER  25 -15.766   8.401  -0.460
  155    HG   SER  25           HG       SER  25 -16.876   6.466  -1.000
  156    HA   PRO  26           HA       PRO  26 -11.260   8.995  -3.635
  157   1HB   PRO  26          2HB       PRO  26 -11.869  10.748  -5.639
  158   2HB   PRO  26          1HB       PRO  26 -11.746   8.996  -5.893
  159   1HG   PRO  26          2HG       PRO  26 -14.159  10.699  -5.582
  160   2HG   PRO  26          1HG       PRO  26 -13.895   9.293  -6.624
  161   1HD   PRO  26          2HD       PRO  26 -15.289   9.214  -4.267
  162   2HD   PRO  26          1HD       PRO  26 -14.464   7.813  -4.982
  163    H    VAL  27           H        VAL  27 -10.122  10.903  -3.140
  164    HA   VAL  27           HA       VAL  27 -11.745  13.079  -1.868
  165    HB   VAL  27           HB       VAL  27  -8.947  12.066  -1.264
  166   1HG1  VAL  27          1HG1      VAL  27  -9.365  14.472  -0.731
  167   2HG1  VAL  27          2HG1      VAL  27  -9.092  13.493   0.711
  168   3HG1  VAL  27          3HG1      VAL  27 -10.730  13.980   0.273
  169   1HG2  VAL  27          1HG2      VAL  27 -11.056  11.774   0.763
  170   2HG2  VAL  27          2HG2      VAL  27  -9.862  10.600   0.209
  171   3HG2  VAL  27          3HG2      VAL  27 -11.358  10.832  -0.698
  172    H    ASN  28           H        ASN  28 -11.691  14.862  -3.202
  173    HA   ASN  28           HA       ASN  28 -10.841  16.483  -4.700
  174   1HB   ASN  28          2HB       ASN  28  -9.278  16.912  -2.905
  175   2HB   ASN  28          1HB       ASN  28  -8.343  15.472  -3.301
  176   1HD2  ASN  28          1HD2      ASN  28  -6.461  15.979  -4.414
  177   2HD2  ASN  28          2HD2      ASN  28  -6.285  17.269  -5.503
  178    H    GLY  29           H        GLY  29 -10.884  13.406  -5.275
  179   1HA   GLY  29          2HA       GLY  29 -10.698  12.372  -7.430
  180   2HA   GLY  29          1HA       GLY  29  -9.558  13.632  -7.909
  181    H    PHE  30           H        PHE  30  -9.387  11.690  -4.939
  182    HA   PHE  30           HA       PHE  30  -7.097  10.165  -6.055
  183   1HB   PHE  30          2HB       PHE  30  -7.000  12.134  -3.766
  184   2HB   PHE  30          1HB       PHE  30  -5.708  10.972  -4.108
  185    HD1  PHE  30           HD1      PHE  30  -7.006  14.194  -4.874
  186    HD2  PHE  30           HD2      PHE  30  -4.857  10.885  -6.557
  187    HE1  PHE  30           HE1      PHE  30  -6.151  15.668  -6.664
  188    HE2  PHE  30           HE2      PHE  30  -3.989  12.364  -8.355
  189    HZ   PHE  30           HZ       PHE  30  -4.637  14.760  -8.408
  190    H    LEU  31           H        LEU  31  -6.866   8.187  -5.160
  191    HA   LEU  31           HA       LEU  31  -8.635   7.462  -2.847
  192   1HB   LEU  31          2HB       LEU  31  -7.342   5.959  -5.132
  193   2HB   LEU  31          1HB       LEU  31  -7.956   5.104  -3.718
  194    HG   LEU  31           HG       LEU  31  -9.511   6.786  -5.683
  195   1HD1  LEU  31          1HD1      LEU  31 -10.833   4.465  -5.347
  196   2HD1  LEU  31          2HD1      LEU  31  -9.202   3.924  -4.933
  197   3HD1  LEU  31          3HD1      LEU  31  -9.523   4.641  -6.515
  198   1HD2  LEU  31          1HD2      LEU  31 -10.300   5.732  -2.950
  199   2HD2  LEU  31          2HD2      LEU  31 -11.474   6.221  -4.174
  200   3HD2  LEU  31          3HD2      LEU  31 -10.354   7.406  -3.502
  201    H    SER  32           H        SER  32  -7.637   6.503  -1.014
  202    HA   SER  32           HA       SER  32  -4.692   6.879  -0.885
  203   1HB   SER  32          2HB       SER  32  -5.049   6.896   1.485
  204   2HB   SER  32          1HB       SER  32  -6.398   7.792   0.795
  205    HG   SER  32           HG       SER  32  -7.371   6.363   2.097
  206    H    GLY  33           H        GLY  33  -3.286   5.203  -0.419
  207   1HA   GLY  33          2HA       GLY  33  -3.640   2.668  -1.441
  208   2HA   GLY  33          1HA       GLY  33  -2.593   2.959  -0.049
  209    H    ASP  34           H        ASP  34  -4.928   3.913   1.565
  210    HA   ASP  34           HA       ASP  34  -5.636   1.450   2.834
  211   1HB   ASP  34          2HB       ASP  34  -6.891   4.214   2.877
  212   2HB   ASP  34          1HB       ASP  34  -7.216   2.947   4.060
  213    H    LYS  35           H        LYS  35  -7.097   3.244   0.178
  214    HA   LYS  35           HA       LYS  35  -9.549   1.570   0.282
  215   1HB   LYS  35          2HB       LYS  35  -8.624   3.972  -1.328
  216   2HB   LYS  35          1HB       LYS  35 -10.177   3.178  -1.587
  217   1HG   LYS  35          2HG       LYS  35 -10.552   3.520   0.951
  218   2HG   LYS  35          1HG       LYS  35  -9.220   4.674   0.853
  219   1HD   LYS  35          2HD       LYS  35 -10.525   5.723  -1.114
  220   2HD   LYS  35          1HD       LYS  35 -11.897   4.783  -0.531
  221   1HE   LYS  35          2HE       LYS  35 -10.306   6.774   1.129
  222   2HE   LYS  35          1HE       LYS  35 -11.930   7.044   0.466
  223   1HZ   LYS  35          1HZ       LYS  35 -12.590   4.936   1.614
  224   2HZ   LYS  35          2HZ       LYS  35 -12.221   6.225   2.658
  225   3HZ   LYS  35          3HZ       LYS  35 -11.098   4.972   2.422
  226    H    VAL  36           H        VAL  36  -6.623   2.177  -1.578
  227    HA   VAL  36           HA       VAL  36  -7.378   0.442  -3.813
  228    HB   VAL  36           HB       VAL  36  -4.768   1.654  -2.881
  229   1HG1  VAL  36          1HG1      VAL  36  -3.743   0.579  -4.567
  230   2HG1  VAL  36          2HG1      VAL  36  -4.989   1.082  -5.711
  231   3HG1  VAL  36          3HG1      VAL  36  -5.206  -0.384  -4.754
  232   1HG2  VAL  36          1HG2      VAL  36  -6.762   3.153  -3.551
  233   2HG2  VAL  36          2HG2      VAL  36  -6.509   2.536  -5.184
  234   3HG2  VAL  36          3HG2      VAL  36  -5.229   3.439  -4.374
  235    H    LYS  37           H        LYS  37  -5.184   0.167  -0.994
  236    HA   LYS  37           HA       LYS  37  -3.925  -2.231  -1.470
  237   1HB   LYS  37          2HB       LYS  37  -3.820  -0.723   0.569
  238   2HB   LYS  37          1HB       LYS  37  -5.262  -1.543   1.159
  239   1HG   LYS  37          2HG       LYS  37  -4.161  -3.590   1.418
  240   2HG   LYS  37          1HG       LYS  37  -2.885  -3.156   0.280
  241   1HD   LYS  37          2HD       LYS  37  -1.781  -1.800   1.839
  242   2HD   LYS  37          1HD       LYS  37  -3.221  -1.607   2.839
  243   1HE   LYS  37          2HE       LYS  37  -2.835  -4.352   2.868
  244   2HE   LYS  37          1HE       LYS  37  -1.179  -3.717   2.915
  245   1HZ   LYS  37          1HZ       LYS  37  -1.624  -3.383   5.079
  246   2HZ   LYS  37          2HZ       LYS  37  -3.308  -3.454   4.862
  247   3HZ   LYS  37          3HZ       LYS  37  -2.467  -2.015   4.538
  248    HA   PRO  38           HA       PRO  38  -7.750  -4.759   0.018
  249   1HB   PRO  38          2HB       PRO  38 -10.167  -3.465  -0.085
  250   2HB   PRO  38          1HB       PRO  38  -9.169  -3.537   1.383
  251   1HG   PRO  38          2HG       PRO  38  -9.423  -1.350  -0.631
  252   2HG   PRO  38          1HG       PRO  38  -9.355  -1.250   1.137
  253   1HD   PRO  38          2HD       PRO  38  -7.218  -0.712  -0.391
  254   2HD   PRO  38          1HD       PRO  38  -7.065  -1.489   1.200
  255    H    VAL  39           H        VAL  39  -8.146  -2.226  -2.385
  256    HA   VAL  39           HA       VAL  39  -9.842  -3.666  -4.217
  257    HB   VAL  39           HB       VAL  39  -8.017  -1.276  -4.205
  258   1HG1  VAL  39          1HG1      VAL  39  -9.528  -1.881  -6.713
  259   2HG1  VAL  39          2HG1      VAL  39  -7.965  -2.660  -6.483
  260   3HG1  VAL  39          3HG1      VAL  39  -8.080  -0.907  -6.480
  261   1HG2  VAL  39          1HG2      VAL  39 -10.834  -1.855  -3.959
  262   2HG2  VAL  39          2HG2      VAL  39 -10.565  -0.737  -5.296
  263   3HG2  VAL  39          3HG2      VAL  39  -9.988  -0.332  -3.678
  264    H    LEU  40           H        LEU  40  -6.378  -3.533  -3.619
  265    HA   LEU  40           HA       LEU  40  -5.748  -5.073  -6.062
  266   1HB   LEU  40          2HB       LEU  40  -4.071  -4.014  -3.768
  267   2HB   LEU  40          1HB       LEU  40  -3.453  -4.608  -5.312
  268    HG   LEU  40           HG       LEU  40  -5.453  -2.354  -5.101
  269   1HD1  LEU  40          1HD1      LEU  40  -2.460  -2.358  -4.999
  270   2HD1  LEU  40          2HD1      LEU  40  -3.618  -1.357  -4.122
  271   3HD1  LEU  40          3HD1      LEU  40  -3.292  -1.039  -5.824
  272   1HD2  LEU  40          1HD2      LEU  40  -5.322  -3.638  -7.218
  273   2HD2  LEU  40          2HD2      LEU  40  -3.601  -3.253  -7.317
  274   3HD2  LEU  40          3HD2      LEU  40  -4.801  -1.963  -7.416
  275    H    LEU  41           H        LEU  41  -5.940  -5.544  -2.559
  276    HA   LEU  41           HA       LEU  41  -4.640  -8.123  -2.527
  277   1HB   LEU  41          2HB       LEU  41  -6.646  -6.763  -0.698
  278   2HB   LEU  41          1HB       LEU  41  -5.762  -8.230  -0.283
  279    HG   LEU  41           HG       LEU  41  -4.274  -5.777  -1.173
  280   1HD1  LEU  41          1HD1      LEU  41  -5.626  -6.317   1.449
  281   2HD1  LEU  41          2HD1      LEU  41  -5.434  -4.790   0.588
  282   3HD1  LEU  41          3HD1      LEU  41  -4.065  -5.495   1.450
  283   1HD2  LEU  41          1HD2      LEU  41  -2.527  -7.126  -0.710
  284   2HD2  LEU  41          2HD2      LEU  41  -3.651  -8.421  -0.291
  285   3HD2  LEU  41          3HD2      LEU  41  -3.095  -7.298   0.953
  286    H    ASN  42           H        ASN  42  -7.687  -6.991  -3.605
  287    HA   ASN  42           HA       ASN  42  -9.069  -9.545  -3.152
  288   1HB   ASN  42          2HB       ASN  42  -9.698  -6.769  -3.982
  289   2HB   ASN  42          1HB       ASN  42 -10.745  -8.020  -4.654
  290   1HD2  ASN  42          1HD2      ASN  42 -12.027  -6.361  -2.908
  291   2HD2  ASN  42          2HD2      ASN  42 -12.255  -7.102  -1.398
  292    H    SER  43           H        SER  43  -6.923  -8.389  -5.442
  293    HA   SER  43           HA       SER  43  -8.201  -9.527  -7.835
  294   1HB   SER  43          2HB       SER  43  -5.316  -8.884  -7.822
  295   2HB   SER  43          1HB       SER  43  -6.587  -8.307  -8.897
  296    HG   SER  43           HG       SER  43  -7.142  -6.781  -7.420
  297    H    LYS  44           H        LYS  44  -7.234 -11.147  -5.299
  298    HA   LYS  44           HA       LYS  44  -6.385 -13.331  -4.973
  299   1HB   LYS  44          2HB       LYS  44  -7.344 -13.071  -7.703
  300   2HB   LYS  44          1HB       LYS  44  -6.000 -14.210  -7.621
  301   1HG   LYS  44          2HG       LYS  44  -8.328 -14.320  -5.696
  302   2HG   LYS  44          1HG       LYS  44  -8.327 -15.195  -7.228
  303   1HD   LYS  44          2HD       LYS  44  -6.778 -16.714  -6.513
  304   2HD   LYS  44          1HD       LYS  44  -5.888 -15.513  -5.575
  305   1HE   LYS  44          2HE       LYS  44  -8.630 -16.358  -4.657
  306   2HE   LYS  44          1HE       LYS  44  -7.222 -17.374  -4.286
  307   1HZ   LYS  44          1HZ       LYS  44  -7.527 -15.706  -2.568
  308   2HZ   LYS  44          2HZ       LYS  44  -7.471 -14.464  -3.726
  309   3HZ   LYS  44          3HZ       LYS  44  -6.091 -15.408  -3.421
  310    H    LEU  45           H        LEU  45  -4.685 -10.818  -5.986
  311    HA   LEU  45           HA       LEU  45  -2.208 -12.265  -6.792
  312   1HB   LEU  45          2HB       LEU  45  -3.300  -9.470  -6.916
  313   2HB   LEU  45          1HB       LEU  45  -1.557  -9.720  -7.025
  314    HG   LEU  45           HG       LEU  45  -3.564 -11.183  -8.751
  315   1HD1  LEU  45          1HD1      LEU  45  -3.255  -9.590 -10.439
  316   2HD1  LEU  45          2HD1      LEU  45  -1.781  -8.955  -9.708
  317   3HD1  LEU  45          3HD1      LEU  45  -3.351  -8.584  -8.994
  318   1HD2  LEU  45          1HD2      LEU  45  -0.716 -10.767  -9.504
  319   2HD2  LEU  45          2HD2      LEU  45  -1.746 -12.178  -9.740
  320   3HD2  LEU  45          3HD2      LEU  45  -1.014 -11.874  -8.162
  321    HA   PRO  46           HA       PRO  46  -0.477 -11.664  -2.804
  322   1HB   PRO  46          2HB       PRO  46   2.175 -11.751  -3.462
  323   2HB   PRO  46          1HB       PRO  46   1.138 -13.189  -3.447
  324   1HG   PRO  46          2HG       PRO  46   2.123 -11.598  -5.734
  325   2HG   PRO  46          1HG       PRO  46   1.803 -13.333  -5.614
  326   1HD   PRO  46          2HD       PRO  46   0.136 -11.489  -6.819
  327   2HD   PRO  46          1HD       PRO  46  -0.359 -13.094  -6.251
  328    H    VAL  47           H        VAL  47   1.250 -10.108  -1.737
  329    HA   VAL  47           HA       VAL  47   0.635  -7.397  -2.543
  330    HB   VAL  47           HB       VAL  47   2.144  -8.844  -0.416
  331   1HG1  VAL  47          1HG1      VAL  47   3.791  -7.160  -1.169
  332   2HG1  VAL  47          2HG1      VAL  47   3.158  -6.775   0.430
  333   3HG1  VAL  47          3HG1      VAL  47   2.569  -5.902  -0.986
  334   1HG2  VAL  47          1HG2      VAL  47  -0.322  -7.798  -0.556
  335   2HG2  VAL  47          2HG2      VAL  47   0.542  -6.377   0.032
  336   3HG2  VAL  47          3HG2      VAL  47   0.579  -7.877   0.958
  337    H    ASP  48           H        ASP  48   2.794  -9.650  -3.767
  338    HA   ASP  48           HA       ASP  48   5.057  -7.875  -4.255
  339   1HB   ASP  48          2HB       ASP  48   4.170 -10.579  -5.306
  340   2HB   ASP  48          1HB       ASP  48   5.694  -9.822  -5.768
  341    H    ILE  49           H        ILE  49   2.098  -8.829  -5.853
  342    HA   ILE  49           HA       ILE  49   2.818  -7.519  -8.390
  343    HB   ILE  49           HB       ILE  49   0.097  -8.480  -7.489
  344   1HG1  ILE  49          2HG1      ILE  49   1.622 -10.277  -6.919
  345   2HG1  ILE  49          1HG1      ILE  49   0.778 -10.719  -8.402
  346   1HG2  ILE  49          1HG2      ILE  49   0.564  -9.250 -10.100
  347   2HG2  ILE  49          2HG2      ILE  49   1.414  -7.708  -9.990
  348   3HG2  ILE  49          3HG2      ILE  49  -0.305  -7.796  -9.606
  349   1HD1  ILE  49          1HD1      ILE  49   2.674 -10.029  -9.747
  350   2HD1  ILE  49          2HD1      ILE  49   3.229 -11.160  -8.511
  351   3HD1  ILE  49          3HD1      ILE  49   3.512  -9.428  -8.314
  352    H    LEU  50           H        LEU  50   0.728  -7.018  -5.592
  353    HA   LEU  50           HA       LEU  50  -0.393  -4.505  -6.542
  354   1HB   LEU  50          2HB       LEU  50  -0.175  -5.511  -3.700
  355   2HB   LEU  50          1HB       LEU  50  -1.438  -4.499  -4.394
  356    HG   LEU  50           HG       LEU  50  -0.921  -7.425  -4.993
  357   1HD1  LEU  50          1HD1      LEU  50  -3.246  -7.650  -4.109
  358   2HD1  LEU  50          2HD1      LEU  50  -3.212  -5.937  -3.690
  359   3HD1  LEU  50          3HD1      LEU  50  -2.103  -7.059  -2.904
  360   1HD2  LEU  50          1HD2      LEU  50  -3.362  -6.383  -6.111
  361   2HD2  LEU  50          2HD2      LEU  50  -2.022  -7.173  -6.943
  362   3HD2  LEU  50          3HD2      LEU  50  -2.000  -5.427  -6.695
  363    H    GLY  51           H        GLY  51   2.394  -5.559  -4.684
  364   1HA   GLY  51          2HA       GLY  51   3.068  -2.971  -3.580
  365   2HA   GLY  51          1HA       GLY  51   4.186  -4.328  -3.760
  366    H    ARG  52           H        ARG  52   3.436  -4.553  -6.615
  367    HA   ARG  52           HA       ARG  52   5.233  -2.416  -7.646
  368   1HB   ARG  52          2HB       ARG  52   4.848  -5.232  -8.056
  369   2HB   ARG  52          1HB       ARG  52   4.589  -4.393  -9.586
  370   1HG   ARG  52          2HG       ARG  52   6.739  -3.218  -9.301
  371   2HG   ARG  52          1HG       ARG  52   7.004  -4.077  -7.785
  372   1HD   ARG  52          2HD       ARG  52   6.409  -5.758 -10.177
  373   2HD   ARG  52          1HD       ARG  52   8.004  -4.981 -10.108
  374    HE   ARG  52           HE       ARG  52   7.254  -6.179  -7.566
  375   1HH1  ARG  52          1HH2      ARG  52   8.916  -6.497 -10.566
  376   2HH1  ARG  52          2HH2      ARG  52   9.679  -7.988 -10.137
  377   1HH2  ARG  52          2HH1      ARG  52   8.097  -8.231  -7.064
  378   2HH2  ARG  52          1HH1      ARG  52   9.217  -8.969  -8.160
  379    H    VAL  53           H        VAL  53   1.998  -3.854  -8.081
  380    HA   VAL  53           HA       VAL  53   1.311  -2.356 -10.440
  381    HB   VAL  53           HB       VAL  53  -0.269  -3.639  -8.195
  382   1HG1  VAL  53          1HG1      VAL  53  -2.199  -2.751  -8.970
  383   2HG1  VAL  53          2HG1      VAL  53  -1.763  -3.118 -10.638
  384   3HG1  VAL  53          3HG1      VAL  53  -1.217  -1.617  -9.897
  385   1HG2  VAL  53          1HG2      VAL  53   1.120  -4.799 -10.199
  386   2HG2  VAL  53          2HG2      VAL  53  -0.398  -4.504 -11.052
  387   3HG2  VAL  53          3HG2      VAL  53  -0.383  -5.479  -9.579
  388    H    TRP  54           H        TRP  54   0.989  -1.666  -6.953
  389    HA   TRP  54           HA       TRP  54  -0.446   0.806  -7.279
  390   1HB   TRP  54          2HB       TRP  54  -0.445  -0.148  -5.108
  391   2HB   TRP  54          1HB       TRP  54   1.302  -0.418  -5.134
  392    HD1  TRP  54           HD1      TRP  54   2.858   1.804  -5.077
  393    HE1  TRP  54           HE1      TRP  54   2.476   4.087  -3.983
  394    HE3  TRP  54           HE3      TRP  54  -2.174   1.549  -4.288
  395    HZ2  TRP  54           HZ2      TRP  54   0.316   5.606  -2.868
  396    HZ3  TRP  54           HZ3      TRP  54  -3.368   3.437  -3.192
  397    HH2  TRP  54           HH2      TRP  54  -2.134   5.446  -2.488
  398    H    GLU  55           H        GLU  55   3.051   0.151  -6.711
  399    HA   GLU  55           HA       GLU  55   3.956   2.822  -6.921
  400   1HB   GLU  55          2HB       GLU  55   5.212   0.173  -7.672
  401   2HB   GLU  55          1HB       GLU  55   6.110   1.686  -7.596
  402   1HG   GLU  55          2HG       GLU  55   4.603   1.439  -5.187
  403   2HG   GLU  55          1HG       GLU  55   5.463  -0.075  -5.450
  404    H    LEU  56           H        LEU  56   4.005   0.358  -9.519
  405    HA   LEU  56           HA       LEU  56   4.675   2.108 -11.649
  406   1HB   LEU  56          2HB       LEU  56   2.905  -0.366 -11.601
  407   2HB   LEU  56          1HB       LEU  56   3.668   0.307 -13.042
  408    HG   LEU  56           HG       LEU  56   5.469  -0.233 -10.740
  409   1HD1  LEU  56          1HD1      LEU  56   5.261  -2.495 -10.682
  410   2HD1  LEU  56          2HD1      LEU  56   4.984  -2.605 -12.420
  411   3HD1  LEU  56          3HD1      LEU  56   3.649  -2.201 -11.339
  412   1HD2  LEU  56          1HD2      LEU  56   6.814   0.284 -12.501
  413   2HD2  LEU  56          2HD2      LEU  56   5.539  -0.036 -13.676
  414   3HD2  LEU  56          3HD2      LEU  56   6.505  -1.367 -13.041
  415    H    SER  57           H        SER  57   1.761   1.768  -9.825
  416    HA   SER  57           HA       SER  57   0.053   3.118 -11.838
  417   1HB   SER  57          2HB       SER  57  -0.939   1.330 -10.613
  418   2HB   SER  57          1HB       SER  57  -0.318   1.937  -9.080
  419    HG   SER  57           HG       SER  57  -1.662   3.804  -9.440
  420    H    ASP  58           H        ASP  58   1.602   3.713  -8.710
  421    HA   ASP  58           HA       ASP  58   0.403   6.247  -8.127
  422   1HB   ASP  58          2HB       ASP  58   2.092   4.441  -6.927
  423   2HB   ASP  58          1HB       ASP  58   3.179   5.791  -7.259
  424    H    ILE  59           H        ILE  59   0.484   7.614  -9.985
  425    HA   ILE  59           HA       ILE  59   2.840   8.061 -11.575
  426    HB   ILE  59           HB       ILE  59   0.321   9.666 -11.048
  427   1HG1  ILE  59          2HG1      ILE  59  -0.270   7.608 -12.083
  428   2HG1  ILE  59          1HG1      ILE  59  -0.174   8.761 -13.412
  429   1HG2  ILE  59          1HG2      ILE  59   1.648  10.113 -13.604
  430   2HG2  ILE  59          2HG2      ILE  59   2.672  10.576 -12.246
  431   3HG2  ILE  59          3HG2      ILE  59   1.069  11.289 -12.425
  432   1HD1  ILE  59          1HD1      ILE  59   1.008   6.808 -14.136
  433   2HD1  ILE  59          2HD1      ILE  59   1.882   6.692 -12.608
  434   3HD1  ILE  59          3HD1      ILE  59   2.238   8.006 -13.729
  435    H    ASP  60           H        ASP  60   1.592   9.573  -8.618
  436    HA   ASP  60           HA       ASP  60   3.927  11.453  -8.657
  437   1HB   ASP  60          2HB       ASP  60   2.496  12.780  -7.101
  438   2HB   ASP  60          1HB       ASP  60   1.714  12.492  -8.655
  439    H    HIS  61           H        HIS  61   2.616   8.695  -7.066
  440    HA   HIS  61           HA       HIS  61   3.387   7.475  -5.203
  441   1HB   HIS  61          2HB       HIS  61   5.705   9.408  -5.526
  442   2HB   HIS  61          1HB       HIS  61   5.739   7.931  -4.568
  443    HD1  HIS  61           HD1      HIS  61   6.795   6.059  -5.809
  444    HD2  HIS  61           HD2      HIS  61   4.730   8.613  -8.378
  445    HE1  HIS  61           HE1      HIS  61   7.059   5.100  -8.139
  446    H    ASP  62           H        ASP  62   1.545   9.548  -4.675
  447    HA   ASP  62           HA       ASP  62   2.581  10.969  -2.276
  448   1HB   ASP  62          2HB       ASP  62   0.458  12.188  -2.470
  449   2HB   ASP  62          1HB       ASP  62   1.246  12.123  -4.047
  450    H    GLY  63           H        GLY  63   1.479   7.952  -2.867
  451   1HA   GLY  63          2HA       GLY  63   0.817   6.329  -1.253
  452   2HA   GLY  63          1HA       GLY  63   0.468   7.637  -0.124
  453    H    MET  64           H        MET  64  -0.783   7.879  -3.358
  454    HA   MET  64           HA       MET  64  -3.451   6.820  -2.557
  455   1HB   MET  64          2HB       MET  64  -2.957   9.653  -3.542
  456   2HB   MET  64          1HB       MET  64  -4.522   8.951  -3.174
  457   1HG   MET  64          2HG       MET  64  -2.627   8.784  -0.939
  458   2HG   MET  64          1HG       MET  64  -2.985  10.428  -1.431
  459   1HE   MET  64          1HE       MET  64  -6.779  10.630  -1.345
  460   2HE   MET  64          2HE       MET  64  -6.243   9.495  -2.582
  461   3HE   MET  64          3HE       MET  64  -5.316  10.963  -2.280
  462    H    LEU  65           H        LEU  65  -4.910   6.682  -4.491
  463    HA   LEU  65           HA       LEU  65  -3.391   6.695  -7.085
  464   1HB   LEU  65          2HB       LEU  65  -5.368   4.765  -5.860
  465   2HB   LEU  65          1HB       LEU  65  -5.094   4.794  -7.601
  466    HG   LEU  65           HG       LEU  65  -3.076   4.219  -5.425
  467   1HD1  LEU  65          1HD1      LEU  65  -3.121   2.426  -7.685
  468   2HD1  LEU  65          2HD1      LEU  65  -4.752   2.603  -7.035
  469   3HD1  LEU  65          3HD1      LEU  65  -3.436   2.069  -5.988
  470   1HD2  LEU  65          1HD2      LEU  65  -2.693   4.918  -8.338
  471   2HD2  LEU  65          2HD2      LEU  65  -1.515   3.939  -7.465
  472   3HD2  LEU  65          3HD2      LEU  65  -1.859   5.585  -6.934
  473    H    ASP  66           H        ASP  66  -4.198   8.558  -8.091
  474    HA   ASP  66           HA       ASP  66  -6.915   9.488  -7.723
  475   1HB   ASP  66          2HB       ASP  66  -6.143  11.312  -8.883
  476   2HB   ASP  66          1HB       ASP  66  -4.578  10.592  -8.521
  477    H    ARG  67           H        ARG  67  -8.542   9.624  -9.467
  478    HA   ARG  67           HA       ARG  67  -9.441   7.276 -10.555
  479   1HB   ARG  67          2HB       ARG  67 -10.540   8.722 -12.269
  480   2HB   ARG  67          1HB       ARG  67 -10.621   9.418 -10.650
  481   1HG   ARG  67          2HG       ARG  67  -8.646  10.816 -11.157
  482   2HG   ARG  67          1HG       ARG  67  -8.590  10.136 -12.784
  483   1HD   ARG  67          2HD       ARG  67 -10.616  11.183 -13.422
  484   2HD   ARG  67          1HD       ARG  67 -11.094  11.474 -11.737
  485    HE   ARG  67           HE       ARG  67  -8.681  12.813 -11.974
  486   1HH1  ARG  67          1HH2      ARG  67  -9.212  13.274 -14.826
  487   2HH1  ARG  67          2HH2      ARG  67 -10.179  14.711 -14.821
  488   1HH2  ARG  67          2HH1      ARG  67 -11.001  14.466 -11.461
  489   2HH2  ARG  67          1HH1      ARG  67 -11.193  15.386 -12.917
  490    H    ASP  68           H        ASP  68  -6.957   9.366 -11.994
  491    HA   ASP  68           HA       ASP  68  -6.667   7.649 -14.367
  492   1HB   ASP  68          2HB       ASP  68  -5.291  10.093 -13.228
  493   2HB   ASP  68          1HB       ASP  68  -4.687   9.289 -14.677
  494    H    GLU  69           H        GLU  69  -5.150   8.109 -11.249
  495    HA   GLU  69           HA       GLU  69  -2.776   6.504 -11.781
  496   1HB   GLU  69          2HB       GLU  69  -3.650   8.321  -9.902
  497   2HB   GLU  69          1HB       GLU  69  -3.801   6.800  -9.026
  498   1HG   GLU  69          2HG       GLU  69  -1.536   6.372  -9.094
  499   2HG   GLU  69          1HG       GLU  69  -1.300   7.298 -10.576
  500    H    PHE  70           H        PHE  70  -5.829   6.048 -10.028
  501    HA   PHE  70           HA       PHE  70  -5.468   3.324  -9.269
  502   1HB   PHE  70          2HB       PHE  70  -7.152   5.140  -8.546
  503   2HB   PHE  70          1HB       PHE  70  -8.062   4.711  -9.993
  504    HD1  PHE  70           HD1      PHE  70  -7.244   3.803  -6.591
  505    HD2  PHE  70           HD2      PHE  70  -8.849   2.317 -10.287
  506    HE1  PHE  70           HE1      PHE  70  -8.276   1.904  -5.379
  507    HE2  PHE  70           HE2      PHE  70  -9.882   0.420  -9.074
  508    HZ   PHE  70           HZ       PHE  70  -9.598   0.218  -6.621
  509    H    ALA  71           H        ALA  71  -6.067   4.805 -12.322
  510    HA   ALA  71           HA       ALA  71  -7.435   2.546 -13.571
  511   1HB   ALA  71          1HB       ALA  71  -7.134   3.887 -15.577
  512   2HB   ALA  71          2HB       ALA  71  -5.875   4.841 -14.792
  513   3HB   ALA  71          3HB       ALA  71  -7.549   4.972 -14.250
  514    H    VAL  72           H        VAL  72  -4.135   3.878 -13.755
  515    HA   VAL  72           HA       VAL  72  -3.003   1.900 -15.449
  516    HB   VAL  72           HB       VAL  72  -1.779   3.481 -13.155
  517   1HG1  VAL  72          1HG1      VAL  72   0.294   3.277 -14.596
  518   2HG1  VAL  72          2HG1      VAL  72  -0.578   2.087 -15.561
  519   3HG1  VAL  72          3HG1      VAL  72  -0.242   1.768 -13.859
  520   1HG2  VAL  72          1HG2      VAL  72  -1.979   4.156 -16.111
  521   2HG2  VAL  72          2HG2      VAL  72  -1.263   5.169 -14.856
  522   3HG2  VAL  72          3HG2      VAL  72  -3.001   4.859 -14.858
  523    H    ALA  73           H        ALA  73  -3.751   1.875 -12.008
  524    HA   ALA  73           HA       ALA  73  -2.252  -0.634 -11.532
  525   1HB   ALA  73          1HB       ALA  73  -3.407   1.582 -10.060
  526   2HB   ALA  73          2HB       ALA  73  -2.157   0.446  -9.554
  527   3HB   ALA  73          3HB       ALA  73  -3.862   0.041  -9.334
  528    H    MET  74           H        MET  74  -5.303   0.135 -12.777
  529    HA   MET  74           HA       MET  74  -6.796  -2.054 -11.488
  530   1HB   MET  74          2HB       MET  74  -7.251   0.094 -13.529
  531   2HB   MET  74          1HB       MET  74  -8.373  -1.265 -13.475
  532   1HG   MET  74          2HG       MET  74  -7.624   0.197 -10.954
  533   2HG   MET  74          1HG       MET  74  -8.900   0.813 -12.004
  534   1HE   MET  74          1HE       MET  74  -8.992  -1.615  -8.681
  535   2HE   MET  74          2HE       MET  74  -7.556  -1.193  -9.613
  536   3HE   MET  74          3HE       MET  74  -8.217  -2.824  -9.715
  537    H    PHE  75           H        PHE  75  -5.530  -1.361 -14.752
  538    HA   PHE  75           HA       PHE  75  -6.228  -4.014 -15.731
  539   1HB   PHE  75          2HB       PHE  75  -5.406  -3.174 -17.764
  540   2HB   PHE  75          1HB       PHE  75  -5.872  -1.689 -16.934
  541    HD1  PHE  75           HD1      PHE  75  -3.004  -3.919 -17.712
  542    HD2  PHE  75           HD2      PHE  75  -4.260  -0.062 -16.307
  543    HE1  PHE  75           HE1      PHE  75  -0.665  -3.111 -17.845
  544    HE2  PHE  75           HE2      PHE  75  -1.927   0.747 -16.444
  545    HZ   PHE  75           HZ       PHE  75  -0.126  -0.779 -17.212
  546    H    LEU  76           H        LEU  76  -3.509  -2.448 -14.193
  547    HA   LEU  76           HA       LEU  76  -1.509  -4.458 -14.711
  548   1HB   LEU  76          2HB       LEU  76  -1.954  -2.079 -13.018
  549   2HB   LEU  76          1HB       LEU  76  -0.841  -3.264 -12.334
  550    HG   LEU  76           HG       LEU  76  -0.613  -2.266 -15.178
  551   1HD1  LEU  76          1HD1      LEU  76  -0.344  -0.566 -13.136
  552   2HD1  LEU  76          2HD1      LEU  76   0.751  -0.524 -14.519
  553   3HD1  LEU  76          3HD1      LEU  76   1.241  -1.332 -13.030
  554   1HD2  LEU  76          1HD2      LEU  76   1.131  -3.696 -15.314
  555   2HD2  LEU  76          2HD2      LEU  76   0.571  -4.392 -13.794
  556   3HD2  LEU  76          3HD2      LEU  76   1.796  -3.124 -13.784
  557    H    VAL  77           H        VAL  77  -4.223  -4.195 -12.579
  558    HA   VAL  77           HA       VAL  77  -3.331  -6.407 -10.824
  559    HB   VAL  77           HB       VAL  77  -5.738  -4.565 -10.984
  560   1HG1  VAL  77          1HG1      VAL  77  -5.158  -6.782  -8.994
  561   2HG1  VAL  77          2HG1      VAL  77  -6.487  -6.749 -10.152
  562   3HG1  VAL  77          3HG1      VAL  77  -6.442  -5.584  -8.828
  563   1HG2  VAL  77          1HG2      VAL  77  -3.877  -4.822  -8.650
  564   2HG2  VAL  77          2HG2      VAL  77  -4.763  -3.410  -9.229
  565   3HG2  VAL  77          3HG2      VAL  77  -3.323  -3.956 -10.081
  566    H    TYR  78           H        TYR  78  -5.922  -5.679 -13.161
  567    HA   TYR  78           HA       TYR  78  -7.128  -8.293 -13.022
  568   1HB   TYR  78          2HB       TYR  78  -7.330  -5.790 -14.585
  569   2HB   TYR  78          1HB       TYR  78  -7.900  -7.242 -15.412
  570    HD1  TYR  78           HD1      TYR  78  -9.099  -4.630 -13.621
  571    HD2  TYR  78           HD2      TYR  78  -9.069  -8.922 -13.464
  572    HE1  TYR  78           HE1      TYR  78 -11.167  -4.589 -12.258
  573    HE2  TYR  78           HE2      TYR  78 -11.145  -8.885 -12.099
  574    HH   TYR  78           HH       TYR  78 -13.116  -6.229 -11.825
  575    H    CYS  79           H        CYS  79  -4.445  -6.970 -14.858
  576    HA   CYS  79           HA       CYS  79  -4.448  -9.162 -16.820
  577   1HB   CYS  79          2HB       CYS  79  -2.725  -6.782 -16.130
  578   2HB   CYS  79          1HB       CYS  79  -2.126  -8.008 -17.247
  579    HG   CYS  79           HG       CYS  79  -3.524  -6.050 -18.491
  580    H    ALA  80           H        ALA  80  -3.147  -8.521 -13.655
  581    HA   ALA  80           HA       ALA  80  -0.996 -10.496 -13.808
  582   1HB   ALA  80          1HB       ALA  80  -1.343 -10.088 -11.188
  583   2HB   ALA  80          2HB       ALA  80  -2.293  -8.721 -11.774
  584   3HB   ALA  80          3HB       ALA  80  -0.588  -8.861 -12.205
  585    H    LEU  81           H        LEU  81  -4.367 -10.576 -13.525
  586    HA   LEU  81           HA       LEU  81  -4.498 -13.068 -11.950
  587   1HB   LEU  81          2HB       LEU  81  -6.364 -11.035 -13.102
  588   2HB   LEU  81          1HB       LEU  81  -7.002 -12.628 -12.686
  589    HG   LEU  81           HG       LEU  81  -5.290 -11.734 -10.568
  590   1HD1  LEU  81          1HD1      LEU  81  -6.384  -9.558 -11.864
  591   2HD1  LEU  81          2HD1      LEU  81  -5.879  -9.583 -10.174
  592   3HD1  LEU  81          3HD1      LEU  81  -7.566  -9.882 -10.596
  593   1HD2  LEU  81          1HD2      LEU  81  -6.880 -13.058  -9.666
  594   2HD2  LEU  81          2HD2      LEU  81  -7.956 -12.814 -11.040
  595   3HD2  LEU  81          3HD2      LEU  81  -7.946 -11.653  -9.712
  596    H    GLU  82           H        GLU  82  -5.338 -11.947 -15.235
  597    HA   GLU  82           HA       GLU  82  -5.195 -14.807 -16.132
  598   1HB   GLU  82          2HB       GLU  82  -7.451 -14.433 -16.290
  599   2HB   GLU  82          1HB       GLU  82  -7.254 -12.684 -16.354
  600   1HG   GLU  82          2HG       GLU  82  -8.125 -13.442 -18.491
  601   2HG   GLU  82          1HG       GLU  82  -6.457 -12.915 -18.722
  602    H    LYS  83           H        LYS  83  -3.891 -11.677 -16.579
  603    HA   LYS  83           HA       LYS  83  -3.284 -12.216 -19.449
  604   1HB   LYS  83          2HB       LYS  83  -4.257 -10.042 -18.624
  605   2HB   LYS  83          1HB       LYS  83  -2.738  -9.744 -17.790
  606   1HG   LYS  83          2HG       LYS  83  -1.669  -9.179 -19.706
  607   2HG   LYS  83          1HG       LYS  83  -2.375 -10.532 -20.590
  608   1HD   LYS  83          2HD       LYS  83  -4.550  -8.865 -20.148
  609   2HD   LYS  83          1HD       LYS  83  -3.236  -7.736 -20.483
  610   1HE   LYS  83          2HE       LYS  83  -2.711  -9.427 -22.464
  611   2HE   LYS  83          1HE       LYS  83  -4.429  -9.831 -22.269
  612   1HZ   LYS  83          1HZ       LYS  83  -3.196  -7.281 -23.021
  613   2HZ   LYS  83          2HZ       LYS  83  -4.617  -7.231 -22.090
  614   3HZ   LYS  83          3HZ       LYS  83  -4.615  -8.005 -23.603
  615    H    GLU  84           H        GLU  84  -1.128 -10.336 -17.391
  616    HA   GLU  84           HA       GLU  84   0.906 -12.524 -17.497
  617   1HB   GLU  84          2HB       GLU  84   0.744 -10.164 -19.131
  618   2HB   GLU  84          1HB       GLU  84   2.159 -10.029 -18.086
  619   1HG   GLU  84          2HG       GLU  84   3.253 -11.454 -19.438
  620   2HG   GLU  84          1HG       GLU  84   2.090 -12.709 -19.011
  621    HA   PRO  85           HA       PRO  85   2.201 -11.081 -13.566
  622   1HB   PRO  85          2HB       PRO  85   4.923 -10.814 -13.763
  623   2HB   PRO  85          1HB       PRO  85   4.104 -12.388 -13.704
  624   1HG   PRO  85          2HG       PRO  85   5.150 -10.888 -16.058
  625   2HG   PRO  85          1HG       PRO  85   5.227 -12.621 -15.701
  626   1HD   PRO  85          2HD       PRO  85   3.439 -11.568 -17.439
  627   2HD   PRO  85          1HD       PRO  85   3.090 -13.011 -16.459
  628    H    VAL  86           H        VAL  86   4.199  -9.307 -12.753
  629    HA   VAL  86           HA       VAL  86   3.730  -6.798 -14.299
  630    HB   VAL  86           HB       VAL  86   3.073  -7.373 -11.401
  631   1HG1  VAL  86          1HG1      VAL  86   2.972  -4.676 -12.774
  632   2HG1  VAL  86          2HG1      VAL  86   4.327  -5.186 -11.767
  633   3HG1  VAL  86          3HG1      VAL  86   2.720  -5.024 -11.065
  634   1HG2  VAL  86          1HG2      VAL  86   1.547  -6.709 -13.896
  635   2HG2  VAL  86          2HG2      VAL  86   0.914  -6.155 -12.346
  636   3HG2  VAL  86          3HG2      VAL  86   1.166  -7.878 -12.632
  637    HA   PRO  87           HA       PRO  87   7.951  -6.390 -12.935
  638   1HB   PRO  87          2HB       PRO  87   8.563  -4.313 -14.598
  639   2HB   PRO  87          1HB       PRO  87   8.435  -5.989 -15.165
  640   1HG   PRO  87          2HG       PRO  87   6.638  -3.731 -15.624
  641   2HG   PRO  87          1HG       PRO  87   6.789  -5.251 -16.512
  642   1HD   PRO  87          2HD       PRO  87   4.824  -4.525 -14.551
  643   2HD   PRO  87          1HD       PRO  87   4.954  -6.039 -15.473
  644    H    MET  88           H        MET  88   9.198  -3.924 -12.771
  645    HA   MET  88           HA       MET  88   7.471  -2.427 -10.819
  646   1HB   MET  88          2HB       MET  88  10.040  -1.753 -10.221
  647   2HB   MET  88          1HB       MET  88   9.157  -3.053  -9.422
  648   1HG   MET  88          2HG       MET  88  10.162  -4.714 -10.837
  649   2HG   MET  88          1HG       MET  88  10.807  -3.486 -11.927
  650   1HE   MET  88          1HE       MET  88  12.646  -4.905 -11.856
  651   2HE   MET  88          2HE       MET  88  13.942  -4.943 -10.663
  652   3HE   MET  88          3HE       MET  88  13.714  -3.508 -11.660
  653    H    SER  89           H        SER  89   8.831  -2.212 -13.840
  654    HA   SER  89           HA       SER  89   9.458   0.690 -13.553
  655   1HB   SER  89          2HB       SER  89  10.169  -1.511 -15.453
  656   2HB   SER  89          1HB       SER  89  10.297   0.166 -15.967
  657    HG   SER  89           HG       SER  89  11.843   0.515 -14.497
  658    H    LEU  90           H        LEU  90   7.444   1.631 -13.691
  659    HA   LEU  90           HA       LEU  90   5.344   0.818 -15.455
  660   1HB   LEU  90          2HB       LEU  90   4.448   2.259 -13.948
  661   2HB   LEU  90          1HB       LEU  90   6.025   2.937 -13.568
  662    HG   LEU  90           HG       LEU  90   5.873   4.403 -15.523
  663   1HD1  LEU  90          1HD1      LEU  90   4.194   2.624 -16.614
  664   2HD1  LEU  90          2HD1      LEU  90   4.151   4.326 -17.074
  665   3HD1  LEU  90          3HD1      LEU  90   2.992   3.700 -15.903
  666   1HD2  LEU  90          1HD2      LEU  90   4.071   4.436 -13.239
  667   2HD2  LEU  90          2HD2      LEU  90   3.394   5.316 -14.608
  668   3HD2  LEU  90          3HD2      LEU  90   4.973   5.767 -13.964
  669    HA   PRO  91           HA       PRO  91   7.687   2.030 -19.096
  670   1HB   PRO  91          2HB       PRO  91   5.839   1.045 -20.877
  671   2HB   PRO  91          1HB       PRO  91   7.051   0.038 -20.057
  672   1HG   PRO  91          2HG       PRO  91   4.180   0.476 -19.367
  673   2HG   PRO  91          1HG       PRO  91   5.115  -1.028 -19.381
  674   1HD   PRO  91          2HD       PRO  91   4.580   0.275 -17.094
  675   2HD   PRO  91          1HD       PRO  91   6.119  -0.584 -17.343
  676    HA   PRO  92           HA       PRO  92   5.815   5.767 -20.345
  677   1HB   PRO  92          2HB       PRO  92   6.357   5.857 -23.029
  678   2HB   PRO  92          1HB       PRO  92   7.591   6.097 -21.777
  679   1HG   PRO  92          2HG       PRO  92   6.981   3.671 -23.392
  680   2HG   PRO  92          1HG       PRO  92   8.547   4.330 -22.891
  681   1HD   PRO  92          2HD       PRO  92   7.362   2.214 -21.661
  682   2HD   PRO  92          1HD       PRO  92   8.452   3.342 -20.825
  683    H    ALA  93           H        ALA  93   4.677   2.827 -21.772
  684    HA   ALA  93           HA       ALA  93   2.468   4.121 -23.240
  685   1HB   ALA  93          1HB       ALA  93   2.718   2.176 -24.364
  686   2HB   ALA  93          2HB       ALA  93   2.094   1.324 -22.950
  687   3HB   ALA  93          3HB       ALA  93   3.831   1.578 -23.133
  688    H    LEU  94           H        LEU  94   3.052   3.687 -20.050
  689    HA   LEU  94           HA       LEU  94   0.187   3.060 -19.451
  690   1HB   LEU  94          2HB       LEU  94   2.812   2.289 -18.201
  691   2HB   LEU  94          1HB       LEU  94   1.367   2.345 -17.193
  692    HG   LEU  94           HG       LEU  94   1.616   0.092 -18.034
  693   1HD1  LEU  94          1HD1      LEU  94  -0.517   1.532 -19.628
  694   2HD1  LEU  94          2HD1      LEU  94  -0.671   1.056 -17.943
  695   3HD1  LEU  94          3HD1      LEU  94  -0.511  -0.172 -19.197
  696   1HD2  LEU  94          1HD2      LEU  94   2.422  -0.381 -20.090
  697   2HD2  LEU  94          2HD2      LEU  94   2.745   1.344 -20.256
  698   3HD2  LEU  94          3HD2      LEU  94   1.242   0.666 -20.872
  699    H    VAL  95           H        VAL  95   2.376   5.546 -19.517
  700    HA   VAL  95           HA       VAL  95   1.108   6.876 -17.143
  701    HB   VAL  95           HB       VAL  95   3.562   6.182 -17.018
  702   1HG1  VAL  95          1HG1      VAL  95   4.007   6.804 -19.428
  703   2HG1  VAL  95          2HG1      VAL  95   5.172   7.465 -18.280
  704   3HG1  VAL  95          3HG1      VAL  95   3.904   8.496 -18.944
  705   1HG2  VAL  95          1HG2      VAL  95   2.960   7.800 -15.437
  706   2HG2  VAL  95          2HG2      VAL  95   2.554   8.995 -16.670
  707   3HG2  VAL  95          3HG2      VAL  95   4.242   8.624 -16.324
  708    HA   PRO  96           HA       PRO  96  -0.240   9.804 -20.179
  709   1HB   PRO  96          2HB       PRO  96  -1.058  11.752 -18.433
  710   2HB   PRO  96          1HB       PRO  96  -1.993  10.276 -18.742
  711   1HG   PRO  96          2HG       PRO  96  -0.185  10.926 -16.466
  712   2HG   PRO  96          1HG       PRO  96  -1.737  10.074 -16.466
  713   1HD   PRO  96          2HD       PRO  96   0.657   8.797 -16.308
  714   2HD   PRO  96          1HD       PRO  96  -0.787   8.064 -17.044
  715    HA   PRO  97           HA       PRO  97   3.055  12.676 -20.590
  716   1HB   PRO  97          2HB       PRO  97   1.831  14.933 -21.539
  717   2HB   PRO  97          1HB       PRO  97   2.052  13.467 -22.518
  718   1HG   PRO  97          2HG       PRO  97  -0.369  14.432 -21.074
  719   2HG   PRO  97          1HG       PRO  97  -0.235  13.657 -22.661
  720   1HD   PRO  97          2HD       PRO  97  -1.021  12.336 -20.413
  721   2HD   PRO  97          1HD       PRO  97  -0.192  11.545 -21.772
  722    H    SER  98           H        SER  98   0.629  13.218 -18.289
  723    HA   SER  98           HA       SER  98   1.665  15.793 -17.323
  724   1HB   SER  98          2HB       SER  98  -0.696  15.322 -17.099
  725   2HB   SER  98          1HB       SER  98  -0.365  13.774 -16.325
  726    HG   SER  98           HG       SER  98  -0.885  15.792 -15.005
  727    H    LYS  99           H        LYS  99   2.838  12.721 -17.216
  728    HA   LYS  99           HA       LYS  99   3.976  13.035 -14.466
  729   1HB   LYS  99          2HB       LYS  99   2.609  10.971 -15.385
  730   2HB   LYS  99          1HB       LYS  99   4.133  10.559 -16.169
  731   1HG   LYS  99          2HG       LYS  99   4.213  11.294 -13.276
  732   2HG   LYS  99          1HG       LYS  99   3.572   9.708 -13.705
  733   1HD   LYS  99          2HD       LYS  99   5.628   8.914 -14.165
  734   2HD   LYS  99          1HD       LYS  99   5.993  10.294 -15.198
  735   1HE   LYS  99          2HE       LYS  99   7.013  11.478 -13.489
  736   2HE   LYS  99          1HE       LYS  99   5.985  10.753 -12.238
  737   1HZ   LYS  99          1HZ       LYS  99   7.252   8.611 -13.295
  738   2HZ   LYS  99          2HZ       LYS  99   7.720   9.409 -11.871
  739   3HZ   LYS  99          3HZ       LYS  99   8.468   9.793 -13.346
  740    H    ARG 100           H        ARG 100   4.693  13.759 -17.614
  741    HA   ARG 100           HA       ARG 100   7.623  13.530 -17.076
  742   1HB   ARG 100          2HB       ARG 100   7.780  12.671 -19.499
  743   2HB   ARG 100          1HB       ARG 100   7.159  11.544 -18.294
  744   1HG   ARG 100          2HG       ARG 100   4.843  12.163 -18.926
  745   2HG   ARG 100          1HG       ARG 100   5.483  13.242 -20.167
  746   1HD   ARG 100          2HD       ARG 100   4.790  10.889 -20.958
  747   2HD   ARG 100          1HD       ARG 100   6.433  11.399 -21.397
  748    HE   ARG 100           HE       ARG 100   5.883   9.747 -18.958
  749   1HH1  ARG 100          1HH2      ARG 100   6.967   9.475 -22.098
  750   2HH1  ARG 100          2HH2      ARG 100   8.497   8.765 -21.707
  751   1HH2  ARG 100          2HH1      ARG 100   8.175   9.299 -18.295
  752   2HH2  ARG 100          1HH1      ARG 100   9.183   8.665 -19.554
  753    H    SER 107           1H       SER 107   9.332   3.028   1.920
  754    HA   SER 107           HA       SER 107   9.667   3.578  -0.929
  755   1HB   SER 107          2HB       SER 107  10.226   1.364  -1.206
  756   2HB   SER 107          1HB       SER 107   9.574   0.903   0.363
  757    HG   SER 107           HG       SER 107   8.300   0.090  -1.341
  758    H    THR 108           H        THR 108   7.728   4.467  -1.561
  759    HA   THR 108           HA       THR 108   5.534   4.656   0.376
  760    HB   THR 108           HB       THR 108   4.565   5.956  -1.659
  761    HG1  THR 108           HG1      THR 108   5.732   5.307  -3.337
  762   1HG2  THR 108          1HG2      THR 108   5.501   7.160   0.188
  763   2HG2  THR 108          2HG2      THR 108   6.238   7.828  -1.268
  764   3HG2  THR 108          3HG2      THR 108   7.143   6.698  -0.261
  765    H    ASN 109           H        ASN 109   5.039   2.288   0.405
  766    HA   ASN 109           HA       ASN 109   3.018   1.625  -1.651
  767   1HB   ASN 109          2HB       ASN 109   5.260   0.903  -2.508
  768   2HB   ASN 109          1HB       ASN 109   5.430  -0.135  -1.089
  769   1HD2  ASN 109          1HD2      ASN 109   3.468   0.373  -4.031
  770   2HD2  ASN 109          2HD2      ASN 109   2.847  -1.205  -4.086
  771    HA   PRO 110           HA       PRO 110   1.547   0.208   2.347
  772   1HB   PRO 110          2HB       PRO 110  -1.048  -0.134   1.560
  773   2HB   PRO 110          1HB       PRO 110  -0.356   1.450   1.958
  774   1HG   PRO 110          2HG       PRO 110  -0.851   0.218  -0.699
  775   2HG   PRO 110          1HG       PRO 110  -1.055   1.895  -0.179
  776   1HD   PRO 110          2HD       PRO 110   1.083   1.015  -1.634
  777   2HD   PRO 110          1HD       PRO 110   1.146   2.411  -0.535
  778    H    PHE 111           H        PHE 111   2.106  -1.512  -0.448
  779    HA   PHE 111           HA       PHE 111   0.818  -4.022   0.548
  780   1HB   PHE 111          2HB       PHE 111   2.325  -3.642  -2.052
  781   2HB   PHE 111          1HB       PHE 111   1.081  -4.833  -1.681
  782    HD1  PHE 111           HD1      PHE 111   1.664  -1.177  -2.139
  783    HD2  PHE 111           HD2      PHE 111  -1.230  -4.361  -2.092
  784    HE1  PHE 111           HE1      PHE 111  -0.063   0.382  -2.967
  785    HE2  PHE 111           HE2      PHE 111  -2.949  -2.789  -2.927
  786    HZ   PHE 111           HZ       PHE 111  -2.367  -0.419  -3.354
  787    H    ARG 112           HN       ARG 112   3.918  -3.058  -0.928
  788    HA   ARG 112           HA       ARG 112   5.327  -5.241   0.456
  789   1HB   ARG 112          2HB       ARG 112   5.583  -3.953  -1.938
  790   2HB   ARG 112          1HB       ARG 112   6.809  -3.116  -0.982
  791   1HG   ARG 112          2HG       ARG 112   7.208  -5.751  -0.278
  792   2HG   ARG 112          1HG       ARG 112   6.783  -5.875  -1.985
  793   1HD   ARG 112          2HD       ARG 112   8.686  -3.696  -1.333
  794   2HD   ARG 112          1HD       ARG 112   9.312  -5.345  -1.125
  795    HE   ARG 112           HE       ARG 112   8.506  -4.131  -3.669
  796   1HH1  ARG 112          1HH2      ARG 112  10.827  -6.030  -3.239
  797   2HH1  ARG 112          2HH2      ARG 112  10.245  -7.467  -4.010
  798   1HH2  ARG 112          1HH1      ARG 112   6.940  -6.413  -4.074
  799   2HH2  ARG 112          2HH1      ARG 112   8.042  -7.685  -4.482
  Start of MODEL   13
    1    HA   PRO   6           HA       PRO   6  -1.839   5.222 -27.589
    2   1HB   PRO   6          2HB       PRO   6  -4.187   3.967 -26.965
    3   2HB   PRO   6          1HB       PRO   6  -3.773   4.464 -28.619
    4   1HG   PRO   6          2HG       PRO   6  -3.616   1.773 -27.355
    5   2HG   PRO   6          1HG       PRO   6  -4.101   2.223 -28.998
    6   1HD   PRO   6          2HD       PRO   6  -1.645   1.206 -28.367
    7   2HD   PRO   6          1HD       PRO   6  -1.944   2.269 -29.759
    8    H    TRP   7           H        TRP   7  -3.458   5.192 -25.398
    9    HA   TRP   7           HA       TRP   7  -1.740   4.839 -23.178
   10   1HB   TRP   7          2HB       TRP   7  -3.813   6.227 -23.299
   11   2HB   TRP   7          1HB       TRP   7  -4.775   4.750 -23.301
   12    HD1  TRP   7           HD1      TRP   7  -1.788   4.394 -21.190
   13    HE1  TRP   7           HE1      TRP   7  -2.396   4.592 -18.694
   14    HE3  TRP   7           HE3      TRP   7  -6.539   6.208 -21.593
   15    HZ2  TRP   7           HZ2      TRP   7  -4.611   5.416 -17.082
   16    HZ3  TRP   7           HZ3      TRP   7  -7.876   6.691 -19.563
   17    HH2  TRP   7           HH2      TRP   7  -6.919   6.299 -17.309
   18    H    ALA   8           H        ALA   8  -0.995   2.928 -22.338
   19    HA   ALA   8           HA       ALA   8  -1.560   0.336 -23.085
   20   1HB   ALA   8          1HB       ALA   8   0.042   1.433 -21.304
   21   2HB   ALA   8          2HB       ALA   8  -0.442  -0.251 -21.112
   22   3HB   ALA   8          3HB       ALA   8  -1.243   1.011 -20.174
   23    H    VAL   9           H        VAL   9  -3.571   2.428 -21.120
   24    HA   VAL   9           HA       VAL   9  -5.379   0.182 -20.390
   25    HB   VAL   9           HB       VAL   9  -5.019   3.077 -19.619
   26   1HG1  VAL   9          1HG1      VAL   9  -7.059   2.134 -18.006
   27   2HG1  VAL   9          2HG1      VAL   9  -7.504   1.515 -19.597
   28   3HG1  VAL   9          3HG1      VAL   9  -7.265   3.246 -19.359
   29   1HG2  VAL   9          1HG2      VAL   9  -3.707   1.206 -18.542
   30   2HG2  VAL   9          2HG2      VAL   9  -5.235   0.550 -17.956
   31   3HG2  VAL   9          3HG2      VAL   9  -4.690   2.137 -17.413
   32    H    LYS  10           H        LYS  10  -7.545   0.100 -21.145
   33    HA   LYS  10           HA       LYS  10  -8.065   1.642 -23.635
   34   1HB   LYS  10          2HB       LYS  10  -9.800  -0.534 -22.478
   35   2HB   LYS  10          1HB       LYS  10  -9.492  -0.154 -24.170
   36   1HG   LYS  10          2HG       LYS  10  -7.565  -1.446 -22.223
   37   2HG   LYS  10          1HG       LYS  10  -8.319  -2.200 -23.628
   38   1HD   LYS  10          2HD       LYS  10  -7.194  -0.334 -25.007
   39   2HD   LYS  10          1HD       LYS  10  -6.207  -0.045 -23.573
   40   1HE   LYS  10          2HE       LYS  10  -6.192  -2.847 -23.947
   41   2HE   LYS  10          1HE       LYS  10  -5.924  -2.136 -25.551
   42   1HZ   LYS  10          1HZ       LYS  10  -4.575  -0.917 -23.257
   43   2HZ   LYS  10          2HZ       LYS  10  -4.062  -1.042 -24.872
   44   3HZ   LYS  10          3HZ       LYS  10  -3.960  -2.387 -23.837
   45    HA   PRO  11           HA       PRO  11 -11.220   4.131 -21.851
   46   1HB   PRO  11          2HB       PRO  11 -13.278   3.930 -23.649
   47   2HB   PRO  11          1HB       PRO  11 -11.803   4.863 -23.972
   48   1HG   PRO  11          2HG       PRO  11 -12.555   2.129 -24.887
   49   2HG   PRO  11          1HG       PRO  11 -11.734   3.428 -25.768
   50   1HD   PRO  11          2HD       PRO  11 -10.419   1.310 -24.712
   51   2HD   PRO  11          1HD       PRO  11  -9.679   2.916 -24.875
   52    H    GLU  12           H        GLU  12 -12.204   0.907 -22.905
   53    HA   GLU  12           HA       GLU  12 -14.555   0.834 -21.143
   54   1HB   GLU  12          2HB       GLU  12 -14.906  -1.292 -22.155
   55   2HB   GLU  12          1HB       GLU  12 -14.174  -0.317 -23.428
   56   1HG   GLU  12          2HG       GLU  12 -11.922  -1.248 -22.652
   57   2HG   GLU  12          1HG       GLU  12 -12.846  -2.410 -21.699
   58    H    ASP  13           H        ASP  13 -11.180  -0.114 -21.043
   59    HA   ASP  13           HA       ASP  13 -11.459  -1.826 -18.682
   60   1HB   ASP  13          2HB       ASP  13  -9.263  -0.695 -20.400
   61   2HB   ASP  13          1HB       ASP  13  -8.850  -1.396 -18.835
   62    H    LYS  14           H        LYS  14 -10.748   1.530 -19.429
   63    HA   LYS  14           HA       LYS  14  -9.921   2.205 -16.697
   64   1HB   LYS  14          2HB       LYS  14  -9.402   3.254 -19.105
   65   2HB   LYS  14          1HB       LYS  14 -10.831   4.211 -18.716
   66   1HG   LYS  14          2HG       LYS  14  -8.879   3.960 -16.518
   67   2HG   LYS  14          1HG       LYS  14  -8.305   4.867 -17.918
   68   1HD   LYS  14          2HD       LYS  14 -10.087   6.437 -17.763
   69   2HD   LYS  14          1HD       LYS  14 -11.001   5.403 -16.663
   70   1HE   LYS  14          2HE       LYS  14  -9.612   5.900 -14.831
   71   2HE   LYS  14          1HE       LYS  14  -8.268   6.409 -15.870
   72   1HZ   LYS  14          1HZ       LYS  14  -9.064   8.468 -15.886
   73   2HZ   LYS  14          2HZ       LYS  14 -10.304   8.006 -14.821
   74   3HZ   LYS  14          3HZ       LYS  14 -10.552   7.931 -16.501
   75    H    ALA  15           H        ALA  15 -12.834   2.029 -18.563
   76    HA   ALA  15           HA       ALA  15 -14.483   3.840 -17.043
   77   1HB   ALA  15          1HB       ALA  15 -14.968   1.439 -18.827
   78   2HB   ALA  15          2HB       ALA  15 -15.176   3.144 -19.227
   79   3HB   ALA  15          3HB       ALA  15 -16.297   2.355 -18.118
   80    H    LYS  16           H        LYS  16 -13.760   0.362 -16.793
   81    HA   LYS  16           HA       LYS  16 -15.566  -0.055 -14.548
   82   1HB   LYS  16          2HB       LYS  16 -15.029  -2.231 -14.981
   83   2HB   LYS  16          1HB       LYS  16 -14.214  -1.594 -16.405
   84   1HG   LYS  16          2HG       LYS  16 -12.100  -1.554 -15.282
   85   2HG   LYS  16          1HG       LYS  16 -12.853  -1.877 -13.721
   86   1HD   LYS  16          2HD       LYS  16 -12.206  -4.025 -14.230
   87   2HD   LYS  16          1HD       LYS  16 -13.766  -4.018 -15.050
   88   1HE   LYS  16          2HE       LYS  16 -11.659  -2.900 -16.740
   89   2HE   LYS  16          1HE       LYS  16 -11.316  -4.573 -16.256
   90   1HZ   LYS  16          1HZ       LYS  16 -13.792  -3.528 -17.515
   91   2HZ   LYS  16          2HZ       LYS  16 -13.693  -5.067 -16.801
   92   3HZ   LYS  16          3HZ       LYS  16 -12.725  -4.686 -18.144
   93    H    TYR  17           H        TYR  17 -12.253   0.952 -15.026
   94    HA   TYR  17           HA       TYR  17 -11.257   0.571 -12.356
   95   1HB   TYR  17          2HB       TYR  17 -10.600   2.573 -14.549
   96   2HB   TYR  17          1HB       TYR  17  -9.591   2.279 -13.137
   97    HD1  TYR  17           HD1      TYR  17  -8.105   1.896 -15.423
   98    HD2  TYR  17           HD2      TYR  17 -11.037  -0.794 -13.808
   99    HE1  TYR  17           HE1      TYR  17  -7.005   0.002 -16.587
  100    HE2  TYR  17           HE2      TYR  17  -9.945  -2.685 -14.975
  101    HH   TYR  17           HH       TYR  17  -8.232  -2.631 -17.355
  102    H    ASP  18           H        ASP  18 -13.042   3.158 -13.976
  103    HA   ASP  18           HA       ASP  18 -12.872   5.095 -11.835
  104   1HB   ASP  18          2HB       ASP  18 -13.995   4.788 -14.463
  105   2HB   ASP  18          1HB       ASP  18 -15.260   5.386 -13.387
  106    H    ALA  19           H        ALA  19 -14.843   2.266 -12.374
  107    HA   ALA  19           HA       ALA  19 -16.942   3.051 -10.473
  108   1HB   ALA  19          1HB       ALA  19 -17.156   1.516 -12.509
  109   2HB   ALA  19          2HB       ALA  19 -17.826   0.876 -11.008
  110   3HB   ALA  19          3HB       ALA  19 -16.256   0.315 -11.583
  111    H    ILE  20           H        ILE  20 -14.052   0.999 -10.556
  112    HA   ILE  20           HA       ILE  20 -14.375   0.025  -7.842
  113    HB   ILE  20           HB       ILE  20 -12.128   0.101  -9.877
  114   1HG1  ILE  20          2HG1      ILE  20 -13.629  -2.317  -8.887
  115   2HG1  ILE  20          1HG1      ILE  20 -14.308  -1.305 -10.162
  116   1HG2  ILE  20          1HG2      ILE  20 -12.143  -1.682  -7.464
  117   2HG2  ILE  20          2HG2      ILE  20 -11.533  -0.033  -7.329
  118   3HG2  ILE  20          3HG2      ILE  20 -10.780  -1.163  -8.455
  119   1HD1  ILE  20          1HD1      ILE  20 -12.951  -3.221 -11.042
  120   2HD1  ILE  20          2HD1      ILE  20 -11.533  -2.523 -10.256
  121   3HD1  ILE  20          3HD1      ILE  20 -12.346  -1.646 -11.552
  122    H    PHE  21           H        PHE  21 -12.853   2.705  -9.491
  123    HA   PHE  21           HA       PHE  21 -11.226   3.602  -7.277
  124   1HB   PHE  21          2HB       PHE  21 -10.463   4.453  -9.284
  125   2HB   PHE  21          1HB       PHE  21 -12.080   4.506  -9.981
  126    HD1  PHE  21           HD1      PHE  21  -9.476   6.404  -8.359
  127    HD2  PHE  21           HD2      PHE  21 -13.691   6.320  -9.179
  128    HE1  PHE  21           HE1      PHE  21  -9.622   8.831  -7.862
  129    HE2  PHE  21           HE2      PHE  21 -13.838   8.745  -8.682
  130    HZ   PHE  21           HZ       PHE  21 -11.805   9.999  -8.022
  131    H    ASP  22           H        ASP  22 -14.434   4.343  -8.533
  132    HA   ASP  22           HA       ASP  22 -14.981   6.344  -6.442
  133   1HB   ASP  22          2HB       ASP  22 -15.866   6.819  -8.587
  134   2HB   ASP  22          1HB       ASP  22 -16.422   5.159  -8.816
  135    H    SER  23           H        SER  23 -14.862   3.043  -6.456
  136    HA   SER  23           HA       SER  23 -17.345   2.565  -4.903
  137   1HB   SER  23          2HB       SER  23 -15.298   1.032  -6.379
  138   2HB   SER  23          1HB       SER  23 -15.856   0.248  -4.903
  139    HG   SER  23           HG       SER  23 -18.034   0.788  -5.739
  140    H    LEU  24           H        LEU  24 -14.217   3.632  -4.361
  141    HA   LEU  24           HA       LEU  24 -14.062   2.491  -1.601
  142   1HB   LEU  24          2HB       LEU  24 -11.878   4.113  -2.818
  143   2HB   LEU  24          1HB       LEU  24 -11.771   2.642  -1.857
  144    HG   LEU  24           HG       LEU  24 -12.614   2.826  -4.758
  145   1HD1  LEU  24          1HD1      LEU  24 -10.079   2.917  -3.731
  146   2HD1  LEU  24          2HD1      LEU  24 -10.474   2.235  -5.310
  147   3HD1  LEU  24          3HD1      LEU  24 -10.305   1.177  -3.908
  148   1HD2  LEU  24          1HD2      LEU  24 -13.061   0.551  -4.710
  149   2HD2  LEU  24          2HD2      LEU  24 -13.596   1.011  -3.094
  150   3HD2  LEU  24          3HD2      LEU  24 -12.012   0.271  -3.322
  151    H    SER  25           H        SER  25 -14.977   5.228  -3.334
  152    HA   SER  25           HA       SER  25 -15.816   7.300  -2.505
  153   1HB   SER  25          2HB       SER  25 -14.399   6.818   0.098
  154   2HB   SER  25          1HB       SER  25 -15.932   7.632  -0.200
  155    HG   SER  25           HG       SER  25 -16.928   5.764  -0.171
  156    HA   PRO  26           HA       PRO  26 -11.597   8.712  -3.534
  157   1HB   PRO  26          2HB       PRO  26 -12.390  10.195  -5.680
  158   2HB   PRO  26          1HB       PRO  26 -12.045   8.458  -5.783
  159   1HG   PRO  26          2HG       PRO  26 -14.654   9.863  -5.657
  160   2HG   PRO  26          1HG       PRO  26 -14.198   8.400  -6.543
  161   1HD   PRO  26          2HD       PRO  26 -15.614   8.413  -4.181
  162   2HD   PRO  26          1HD       PRO  26 -14.653   7.041  -4.770
  163    H    VAL  27           H        VAL  27 -10.714  10.738  -3.181
  164    HA   VAL  27           HA       VAL  27 -12.586  12.826  -2.123
  165    HB   VAL  27           HB       VAL  27  -9.790  11.932  -1.363
  166   1HG1  VAL  27          1HG1      VAL  27  -9.391  14.032  -0.665
  167   2HG1  VAL  27          2HG1      VAL  27 -10.744  13.871   0.458
  168   3HG1  VAL  27          3HG1      VAL  27 -11.006  14.539  -1.155
  169   1HG2  VAL  27          1HG2      VAL  27 -12.301  11.074  -0.542
  170   2HG2  VAL  27          2HG2      VAL  27 -11.849  12.242   0.703
  171   3HG2  VAL  27          3HG2      VAL  27 -10.801  10.866   0.363
  172    H    ASN  28           H        ASN  28 -12.625  14.566  -3.516
  173    HA   ASN  28           HA       ASN  28 -11.867  16.140  -5.119
  174   1HB   ASN  28          2HB       ASN  28  -9.256  15.344  -3.779
  175   2HB   ASN  28          1HB       ASN  28  -9.482  16.784  -4.775
  176   1HD2  ASN  28          1HD2      ASN  28  -9.521  15.675  -1.613
  177   2HD2  ASN  28          2HD2      ASN  28 -10.447  16.912  -0.906
  178    H    GLY  29           H        GLY  29 -11.742  13.044  -5.505
  179   1HA   GLY  29          2HA       GLY  29 -11.464  11.855  -7.553
  180   2HA   GLY  29          1HA       GLY  29 -10.444  13.167  -8.147
  181    H    PHE  30           H        PHE  30  -9.981  11.596  -4.993
  182    HA   PHE  30           HA       PHE  30  -7.544  10.255  -6.113
  183   1HB   PHE  30          2HB       PHE  30  -7.782  12.103  -3.728
  184   2HB   PHE  30          1HB       PHE  30  -6.344  11.138  -4.080
  185    HD1  PHE  30           HD1      PHE  30  -7.765  14.291  -4.511
  186    HD2  PHE  30           HD2      PHE  30  -5.640  11.259  -6.682
  187    HE1  PHE  30           HE1      PHE  30  -7.024  15.991  -6.149
  188    HE2  PHE  30           HE2      PHE  30  -4.891  12.963  -8.327
  189    HZ   PHE  30           HZ       PHE  30  -5.582  15.332  -8.060
  190    H    LEU  31           H        LEU  31  -7.144   8.263  -5.277
  191    HA   LEU  31           HA       LEU  31  -8.863   7.323  -2.999
  192   1HB   LEU  31          2HB       LEU  31  -7.573   5.996  -5.384
  193   2HB   LEU  31          1HB       LEU  31  -8.017   5.043  -3.970
  194    HG   LEU  31           HG       LEU  31  -9.832   6.617  -5.788
  195   1HD1  LEU  31          1HD1      LEU  31  -9.218   3.791  -5.114
  196   2HD1  LEU  31          2HD1      LEU  31  -9.730   4.495  -6.652
  197   3HD1  LEU  31          3HD1      LEU  31 -10.920   4.176  -5.388
  198   1HD2  LEU  31          1HD2      LEU  31 -11.644   5.847  -4.169
  199   2HD2  LEU  31          2HD2      LEU  31 -10.615   7.148  -3.570
  200   3HD2  LEU  31          3HD2      LEU  31 -10.353   5.494  -3.020
  201    H    SER  32           H        SER  32  -7.780   6.593  -1.165
  202    HA   SER  32           HA       SER  32  -4.889   7.121  -1.058
  203   1HB   SER  32          2HB       SER  32  -5.214   7.014   1.285
  204   2HB   SER  32          1HB       SER  32  -6.737   7.666   0.686
  205    HG   SER  32           HG       SER  32  -7.135   5.958   2.102
  206    H    GLY  33           H        GLY  33  -3.287   5.556  -0.762
  207   1HA   GLY  33          2HA       GLY  33  -3.538   3.033  -1.913
  208   2HA   GLY  33          1HA       GLY  33  -2.377   3.377  -0.631
  209    H    ASP  34           H        ASP  34  -4.661   4.106   1.184
  210    HA   ASP  34           HA       ASP  34  -5.042   1.513   2.398
  211   1HB   ASP  34          2HB       ASP  34  -5.946   4.335   2.830
  212   2HB   ASP  34          1HB       ASP  34  -6.736   3.041   3.729
  213    H    LYS  35           H        LYS  35  -6.791   3.294  -0.044
  214    HA   LYS  35           HA       LYS  35  -9.245   1.662   0.361
  215   1HB   LYS  35          2HB       LYS  35  -8.502   3.952  -1.500
  216   2HB   LYS  35          1HB       LYS  35 -10.107   3.235  -1.380
  217   1HG   LYS  35          2HG       LYS  35  -9.644   3.762   1.234
  218   2HG   LYS  35          1HG       LYS  35  -8.709   5.061   0.492
  219   1HD   LYS  35          2HD       LYS  35 -11.008   5.127  -0.997
  220   2HD   LYS  35          1HD       LYS  35 -11.629   4.669   0.589
  221   1HE   LYS  35          2HE       LYS  35 -11.504   6.865   1.153
  222   2HE   LYS  35          1HE       LYS  35  -9.737   6.695   1.102
  223   1HZ   LYS  35          1HZ       LYS  35  -9.621   7.460  -1.031
  224   2HZ   LYS  35          2HZ       LYS  35 -10.968   8.350  -0.502
  225   3HZ   LYS  35          3HZ       LYS  35 -11.187   6.945  -1.432
  226    H    VAL  36           H        VAL  36  -6.556   2.290  -1.817
  227    HA   VAL  36           HA       VAL  36  -7.447   0.451  -3.910
  228    HB   VAL  36           HB       VAL  36  -4.793   1.728  -3.213
  229   1HG1  VAL  36          1HG1      VAL  36  -5.337  -0.361  -5.001
  230   2HG1  VAL  36          2HG1      VAL  36  -3.878   0.628  -4.942
  231   3HG1  VAL  36          3HG1      VAL  36  -5.211   1.086  -6.004
  232   1HG2  VAL  36          1HG2      VAL  36  -5.443   3.553  -4.456
  233   2HG2  VAL  36          2HG2      VAL  36  -7.033   3.039  -3.890
  234   3HG2  VAL  36          3HG2      VAL  36  -6.486   2.595  -5.508
  235    H    LYS  37           H        LYS  37  -5.074   0.362  -1.259
  236    HA   LYS  37           HA       LYS  37  -3.729  -1.985  -1.653
  237   1HB   LYS  37          2HB       LYS  37  -3.254  -0.741   0.284
  238   2HB   LYS  37          1HB       LYS  37  -4.942  -0.703   0.786
  239   1HG   LYS  37          2HG       LYS  37  -4.737  -2.638   1.931
  240   2HG   LYS  37          1HG       LYS  37  -3.934  -3.433   0.577
  241   1HD   LYS  37          2HD       LYS  37  -1.978  -3.282   1.673
  242   2HD   LYS  37          1HD       LYS  37  -2.108  -1.523   1.625
  243   1HE   LYS  37          2HE       LYS  37  -3.646  -3.073   3.704
  244   2HE   LYS  37          1HE       LYS  37  -1.933  -2.686   3.966
  245   1HZ   LYS  37          1HZ       LYS  37  -2.325  -0.432   3.852
  246   2HZ   LYS  37          2HZ       LYS  37  -3.734  -0.964   4.640
  247   3HZ   LYS  37          3HZ       LYS  37  -3.769  -0.606   2.979
  248    HA   PRO  38           HA       PRO  38  -7.326  -4.648   0.095
  249   1HB   PRO  38          2HB       PRO  38  -9.792  -3.454   0.224
  250   2HB   PRO  38          1HB       PRO  38  -8.654  -3.482   1.586
  251   1HG   PRO  38          2HG       PRO  38  -9.224  -1.306  -0.368
  252   2HG   PRO  38          1HG       PRO  38  -8.932  -1.209   1.378
  253   1HD   PRO  38          2HD       PRO  38  -7.039  -0.597  -0.452
  254   2HD   PRO  38          1HD       PRO  38  -6.650  -1.293   1.138
  255    H    VAL  39           H        VAL  39  -8.037  -2.179  -2.305
  256    HA   VAL  39           HA       VAL  39  -9.879  -3.678  -3.926
  257    HB   VAL  39           HB       VAL  39  -8.069  -1.296  -4.169
  258   1HG1  VAL  39          1HG1      VAL  39  -9.523  -1.315  -6.543
  259   2HG1  VAL  39          2HG1      VAL  39  -8.912  -2.960  -6.415
  260   3HG1  VAL  39          3HG1      VAL  39  -7.790  -1.597  -6.386
  261   1HG2  VAL  39          1HG2      VAL  39 -10.469  -0.460  -4.967
  262   2HG2  VAL  39          2HG2      VAL  39 -10.089  -0.653  -3.256
  263   3HG2  VAL  39          3HG2      VAL  39 -10.992  -1.907  -4.106
  264    H    LEU  40           H        LEU  40  -6.349  -3.371  -3.864
  265    HA   LEU  40           HA       LEU  40  -5.961  -5.058  -6.232
  266   1HB   LEU  40          2HB       LEU  40  -4.032  -4.054  -4.111
  267   2HB   LEU  40          1HB       LEU  40  -3.619  -4.588  -5.744
  268    HG   LEU  40           HG       LEU  40  -5.549  -2.323  -5.228
  269   1HD1  LEU  40          1HD1      LEU  40  -2.562  -2.352  -5.317
  270   2HD1  LEU  40          2HD1      LEU  40  -3.653  -1.342  -4.368
  271   3HD1  LEU  40          3HD1      LEU  40  -3.411  -1.006  -6.080
  272   1HD2  LEU  40          1HD2      LEU  40  -3.844  -2.921  -7.634
  273   2HD2  LEU  40          2HD2      LEU  40  -5.259  -1.868  -7.532
  274   3HD2  LEU  40          3HD2      LEU  40  -5.450  -3.619  -7.419
  275    H    LEU  41           H        LEU  41  -6.138  -5.437  -2.772
  276    HA   LEU  41           HA       LEU  41  -4.789  -7.993  -2.626
  277   1HB   LEU  41          2HB       LEU  41  -6.628  -6.345  -0.903
  278   2HB   LEU  41          1HB       LEU  41  -6.151  -7.968  -0.408
  279    HG   LEU  41           HG       LEU  41  -4.128  -5.885  -1.228
  280   1HD1  LEU  41          1HD1      LEU  41  -3.789  -5.545   1.235
  281   2HD1  LEU  41          2HD1      LEU  41  -5.250  -6.489   1.524
  282   3HD1  LEU  41          3HD1      LEU  41  -5.349  -4.955   0.659
  283   1HD2  LEU  41          1HD2      LEU  41  -2.644  -7.536  -0.818
  284   2HD2  LEU  41          2HD2      LEU  41  -4.011  -8.643  -0.677
  285   3HD2  LEU  41          3HD2      LEU  41  -3.361  -7.854   0.762
  286    H    ASN  42           H        ASN  42  -7.788  -6.948  -3.850
  287    HA   ASN  42           HA       ASN  42  -9.226  -9.453  -3.277
  288   1HB   ASN  42          2HB       ASN  42  -9.770  -6.757  -4.436
  289   2HB   ASN  42          1HB       ASN  42 -10.836  -8.073  -4.926
  290   1HD2  ASN  42          1HD2      ASN  42 -11.504  -5.757  -3.157
  291   2HD2  ASN  42          2HD2      ASN  42 -12.004  -6.432  -1.682
  292    H    SER  43           H        SER  43  -7.003  -8.370  -5.576
  293    HA   SER  43           HA       SER  43  -8.102  -9.667  -7.951
  294   1HB   SER  43          2HB       SER  43  -5.198  -9.098  -7.651
  295   2HB   SER  43          1HB       SER  43  -6.293  -8.672  -8.961
  296    HG   SER  43           HG       SER  43  -5.467  -6.977  -7.379
  297    H    LYS  44           H        LYS  44  -7.115 -11.044  -5.159
  298    HA   LYS  44           HA       LYS  44  -6.410 -13.240  -4.638
  299   1HB   LYS  44          2HB       LYS  44  -7.738 -13.358  -7.033
  300   2HB   LYS  44          1HB       LYS  44  -6.160 -14.002  -7.489
  301   1HG   LYS  44          2HG       LYS  44  -6.400 -15.451  -5.330
  302   2HG   LYS  44          1HG       LYS  44  -8.116 -15.065  -5.464
  303   1HD   LYS  44          2HD       LYS  44  -7.066 -15.826  -8.047
  304   2HD   LYS  44          1HD       LYS  44  -6.716 -17.080  -6.856
  305   1HE   LYS  44          2HE       LYS  44  -9.350 -16.326  -6.280
  306   2HE   LYS  44          1HE       LYS  44  -9.276 -16.364  -8.053
  307   1HZ   LYS  44          1HZ       LYS  44  -8.285 -18.497  -6.235
  308   2HZ   LYS  44          2HZ       LYS  44  -8.193 -18.520  -7.931
  309   3HZ   LYS  44          3HZ       LYS  44  -9.706 -18.574  -7.160
  310    H    LEU  45           H        LEU  45  -4.640 -10.905  -5.937
  311    HA   LEU  45           HA       LEU  45  -2.216 -12.512  -6.587
  312   1HB   LEU  45          2HB       LEU  45  -3.190  -9.694  -6.960
  313   2HB   LEU  45          1HB       LEU  45  -1.457 -10.014  -7.018
  314    HG   LEU  45           HG       LEU  45  -3.544 -11.422  -8.706
  315   1HD1  LEU  45          1HD1      LEU  45  -1.405  -9.577  -9.736
  316   2HD1  LEU  45          2HD1      LEU  45  -2.913  -8.902  -9.127
  317   3HD1  LEU  45          3HD1      LEU  45  -2.935 -10.026 -10.485
  318   1HD2  LEU  45          1HD2      LEU  45  -1.012 -12.283  -7.937
  319   2HD2  LEU  45          2HD2      LEU  45  -0.726 -11.535  -9.506
  320   3HD2  LEU  45          3HD2      LEU  45  -1.899 -12.841  -9.356
  321    HA   PRO  46           HA       PRO  46  -0.449 -11.651  -2.668
  322   1HB   PRO  46          2HB       PRO  46   2.206 -11.678  -3.327
  323   2HB   PRO  46          1HB       PRO  46   1.218 -13.149  -3.261
  324   1HG   PRO  46          2HG       PRO  46   2.127 -11.588  -5.608
  325   2HG   PRO  46          1HG       PRO  46   1.908 -13.333  -5.426
  326   1HD   PRO  46          2HD       PRO  46   0.138 -11.656  -6.701
  327   2HD   PRO  46          1HD       PRO  46  -0.284 -13.242  -6.021
  328    H    VAL  47           H        VAL  47   1.178  -9.993  -1.652
  329    HA   VAL  47           HA       VAL  47   0.520  -7.340  -2.604
  330    HB   VAL  47           HB       VAL  47   1.992  -8.653  -0.378
  331   1HG1  VAL  47          1HG1      VAL  47   3.069  -6.560   0.345
  332   2HG1  VAL  47          2HG1      VAL  47   2.532  -5.769  -1.139
  333   3HG1  VAL  47          3HG1      VAL  47   3.707  -7.080  -1.214
  334   1HG2  VAL  47          1HG2      VAL  47   0.129  -6.270  -0.588
  335   2HG2  VAL  47          2HG2      VAL  47   0.700  -6.978   0.923
  336   3HG2  VAL  47          3HG2      VAL  47  -0.336  -7.915  -0.154
  337    H    ASP  48           H        ASP  48   2.752  -9.621  -3.658
  338    HA   ASP  48           HA       ASP  48   4.998  -7.877  -4.228
  339   1HB   ASP  48          2HB       ASP  48   4.117 -10.576  -5.317
  340   2HB   ASP  48          1HB       ASP  48   5.714  -9.867  -5.561
  341    H    ILE  49           H        ILE  49   2.027  -8.839  -5.792
  342    HA   ILE  49           HA       ILE  49   2.778  -7.616  -8.364
  343    HB   ILE  49           HB       ILE  49   0.039  -8.540  -7.482
  344   1HG1  ILE  49          2HG1      ILE  49   1.504 -10.339  -6.812
  345   2HG1  ILE  49          1HG1      ILE  49   0.738 -10.816  -8.328
  346   1HG2  ILE  49          1HG2      ILE  49   1.368  -7.788  -9.953
  347   2HG2  ILE  49          2HG2      ILE  49  -0.351  -8.016  -9.634
  348   3HG2  ILE  49          3HG2      ILE  49   0.656  -9.397 -10.070
  349   1HD1  ILE  49          1HD1      ILE  49   2.778  -9.885  -9.519
  350   2HD1  ILE  49          2HD1      ILE  49   3.063 -11.333  -8.552
  351   3HD1  ILE  49          3HD1      ILE  49   3.539  -9.751  -7.933
  352    H    LEU  50           H        LEU  50   0.723  -7.022  -5.572
  353    HA   LEU  50           HA       LEU  50  -0.403  -4.531  -6.617
  354   1HB   LEU  50          2HB       LEU  50  -0.281  -5.471  -3.753
  355   2HB   LEU  50          1HB       LEU  50  -1.535  -4.510  -4.531
  356    HG   LEU  50           HG       LEU  50  -0.929  -7.438  -5.014
  357   1HD1  LEU  50          1HD1      LEU  50  -3.307  -5.960  -3.860
  358   2HD1  LEU  50          2HD1      LEU  50  -2.221  -7.049  -2.999
  359   3HD1  LEU  50          3HD1      LEU  50  -3.298  -7.681  -4.244
  360   1HD2  LEU  50          1HD2      LEU  50  -2.023  -5.471  -6.784
  361   2HD2  LEU  50          2HD2      LEU  50  -3.326  -6.555  -6.293
  362   3HD2  LEU  50          3HD2      LEU  50  -1.870  -7.208  -7.047
  363    H    GLY  51           H        GLY  51   2.317  -5.569  -4.667
  364   1HA   GLY  51          2HA       GLY  51   2.940  -2.927  -3.614
  365   2HA   GLY  51          1HA       GLY  51   4.033  -4.318  -3.619
  366    H    ARG  52           H        ARG  52   3.467  -4.697  -6.514
  367    HA   ARG  52           HA       ARG  52   5.418  -2.708  -7.549
  368   1HB   ARG  52          2HB       ARG  52   5.401  -5.394  -7.581
  369   2HB   ARG  52          1HB       ARG  52   4.487  -5.098  -9.058
  370   1HG   ARG  52          2HG       ARG  52   6.433  -3.391  -9.559
  371   2HG   ARG  52          1HG       ARG  52   7.329  -4.398  -8.418
  372   1HD   ARG  52          2HD       ARG  52   5.757  -5.740 -10.593
  373   2HD   ARG  52          1HD       ARG  52   7.336  -5.038 -10.981
  374    HE   ARG  52           HE       ARG  52   6.856  -7.265  -9.090
  375   1HH1  ARG  52          1HH2      ARG  52   8.898  -7.059 -11.399
  376   2HH1  ARG  52          2HH2      ARG  52  10.374  -6.925 -10.501
  377   1HH2  ARG  52          2HH1      ARG  52   8.790  -6.173  -7.509
  378   2HH2  ARG  52          1HH1      ARG  52  10.312  -6.425  -8.298
  379    H    VAL  53           H        VAL  53   2.152  -4.033  -8.086
  380    HA   VAL  53           HA       VAL  53   1.734  -2.622 -10.591
  381    HB   VAL  53           HB       VAL  53   0.021  -4.005  -8.528
  382   1HG1  VAL  53          1HG1      VAL  53  -1.595  -3.497 -10.763
  383   2HG1  VAL  53          2HG1      VAL  53  -0.828  -1.951 -10.404
  384   3HG1  VAL  53          3HG1      VAL  53  -1.766  -2.779  -9.162
  385   1HG2  VAL  53          1HG2      VAL  53  -0.090  -5.700 -10.113
  386   2HG2  VAL  53          2HG2      VAL  53   1.493  -5.025 -10.504
  387   3HG2  VAL  53          3HG2      VAL  53   0.081  -4.583 -11.471
  388    H    TRP  54           H        TRP  54   1.118  -1.912  -7.168
  389    HA   TRP  54           HA       TRP  54  -0.365   0.507  -7.588
  390   1HB   TRP  54          2HB       TRP  54  -0.425  -0.352  -5.393
  391   2HB   TRP  54          1HB       TRP  54   1.313  -0.670  -5.371
  392    HD1  TRP  54           HD1      TRP  54   2.940   1.504  -5.247
  393    HE1  TRP  54           HE1      TRP  54   2.569   3.807  -4.185
  394    HE3  TRP  54           HE3      TRP  54  -2.141   1.417  -4.706
  395    HZ2  TRP  54           HZ2      TRP  54   0.410   5.406  -3.197
  396    HZ3  TRP  54           HZ3      TRP  54  -3.330   3.345  -3.686
  397    HH2  TRP  54           HH2      TRP  54  -2.056   5.336  -2.934
  398    H    GLU  55           H        GLU  55   3.134  -0.053  -6.961
  399    HA   GLU  55           HA       GLU  55   4.019   2.599  -7.062
  400   1HB   GLU  55          2HB       GLU  55   5.190  -0.018  -7.986
  401   2HB   GLU  55          1HB       GLU  55   6.122   1.479  -8.010
  402   1HG   GLU  55          2HG       GLU  55   4.968   1.487  -5.488
  403   2HG   GLU  55          1HG       GLU  55   5.387  -0.206  -5.740
  404    H    LEU  56           H        LEU  56   3.824   0.375  -9.865
  405    HA   LEU  56           HA       LEU  56   4.412   2.353 -11.853
  406   1HB   LEU  56          2HB       LEU  56   2.681  -0.139 -12.043
  407   2HB   LEU  56          1HB       LEU  56   3.514   0.657 -13.378
  408    HG   LEU  56           HG       LEU  56   5.251  -0.054 -11.097
  409   1HD1  LEU  56          1HD1      LEU  56   4.459  -2.318 -12.898
  410   2HD1  LEU  56          2HD1      LEU  56   3.465  -1.965 -11.485
  411   3HD1  LEU  56          3HD1      LEU  56   5.170  -2.369 -11.284
  412   1HD2  LEU  56          1HD2      LEU  56   6.309  -1.136 -13.384
  413   2HD2  LEU  56          2HD2      LEU  56   6.570   0.533 -12.873
  414   3HD2  LEU  56          3HD2      LEU  56   5.310   0.155 -14.046
  415    H    SER  57           H        SER  57   1.659   1.833  -9.879
  416    HA   SER  57           HA       SER  57  -0.218   3.248 -11.699
  417   1HB   SER  57          2HB       SER  57  -1.221   1.424 -10.618
  418   2HB   SER  57          1HB       SER  57  -0.339   1.706  -9.120
  419    HG   SER  57           HG       SER  57  -2.214   3.555 -10.155
  420    H    ASP  58           H        ASP  58   1.336   3.602  -8.523
  421    HA   ASP  58           HA       ASP  58   0.184   6.198  -7.939
  422   1HB   ASP  58          2HB       ASP  58   1.161   4.266  -6.438
  423   2HB   ASP  58          1HB       ASP  58   2.694   5.094  -6.713
  424    H    ILE  59           H        ILE  59   0.740   7.618  -9.653
  425    HA   ILE  59           HA       ILE  59   3.608   7.983 -10.304
  426    HB   ILE  59           HB       ILE  59   0.961   8.975 -11.384
  427   1HG1  ILE  59          2HG1      ILE  59   2.918   7.767 -13.187
  428   2HG1  ILE  59          1HG1      ILE  59   2.520   6.709 -11.834
  429   1HG2  ILE  59          1HG2      ILE  59   1.959  10.741 -12.366
  430   2HG2  ILE  59          2HG2      ILE  59   3.165   9.676 -13.085
  431   3HG2  ILE  59          3HG2      ILE  59   3.445  10.371 -11.491
  432   1HD1  ILE  59          1HD1      ILE  59   0.710   6.127 -13.062
  433   2HD1  ILE  59          2HD1      ILE  59   0.856   7.537 -14.111
  434   3HD1  ILE  59          3HD1      ILE  59   0.046   7.680 -12.551
  435    H    ASP  60           H        ASP  60   1.166   9.285  -8.256
  436    HA   ASP  60           HA       ASP  60   2.467  11.935  -8.000
  437   1HB   ASP  60          2HB       ASP  60   0.241  10.801  -6.299
  438   2HB   ASP  60          1HB       ASP  60   0.546  12.486  -6.721
  439    H    HIS  61           H        HIS  61   2.936   8.838  -6.791
  440    HA   HIS  61           HA       HIS  61   3.948   7.963  -4.845
  441   1HB   HIS  61          2HB       HIS  61   6.103   9.040  -4.485
  442   2HB   HIS  61          1HB       HIS  61   5.732   9.073  -6.207
  443    HD1  HIS  61           HD1      HIS  61   5.783  11.316  -3.156
  444    HD2  HIS  61           HD2      HIS  61   5.436  11.645  -7.298
  445    HE1  HIS  61           HE1      HIS  61   5.927  13.787  -3.694
  446    H    ASP  62           H        ASP  62   1.613   9.261  -4.082
  447    HA   ASP  62           HA       ASP  62   2.452  10.568  -1.517
  448   1HB   ASP  62          2HB       ASP  62   0.312  11.904  -1.828
  449   2HB   ASP  62          1HB       ASP  62   1.569  12.251  -3.015
  450    H    GLY  63           H        GLY  63   1.695   7.727  -2.332
  451   1HA   GLY  63          2HA       GLY  63   0.403   5.977  -1.445
  452   2HA   GLY  63          1HA       GLY  63   0.112   7.039  -0.065
  453    H    MET  64           H        MET  64  -0.752   7.574  -3.481
  454    HA   MET  64           HA       MET  64  -3.642   7.276  -2.776
  455   1HB   MET  64          2HB       MET  64  -2.115   9.761  -3.378
  456   2HB   MET  64          1HB       MET  64  -3.755   9.640  -4.007
  457   1HG   MET  64          2HG       MET  64  -3.177   9.016  -1.124
  458   2HG   MET  64          1HG       MET  64  -3.401  10.682  -1.656
  459   1HE   MET  64          1HE       MET  64  -6.477  10.242   0.131
  460   2HE   MET  64          2HE       MET  64  -6.294  11.511  -1.076
  461   3HE   MET  64          3HE       MET  64  -4.899  10.996  -0.132
  462    H    LEU  65           H        LEU  65  -5.035   7.344  -4.696
  463    HA   LEU  65           HA       LEU  65  -3.633   7.005  -7.319
  464   1HB   LEU  65          2HB       LEU  65  -5.582   5.173  -5.902
  465   2HB   LEU  65          1HB       LEU  65  -5.303   5.071  -7.640
  466    HG   LEU  65           HG       LEU  65  -3.174   4.818  -5.495
  467   1HD1  LEU  65          1HD1      LEU  65  -3.844   2.668  -5.416
  468   2HD1  LEU  65          2HD1      LEU  65  -3.319   2.507  -7.091
  469   3HD1  LEU  65          3HD1      LEU  65  -4.995   2.921  -6.728
  470   1HD2  LEU  65          1HD2      LEU  65  -3.105   4.762  -8.520
  471   2HD2  LEU  65          2HD2      LEU  65  -1.824   4.049  -7.540
  472   3HD2  LEU  65          3HD2      LEU  65  -2.159   5.776  -7.431
  473    H    ASP  66           H        ASP  66  -4.518   8.808  -8.385
  474    HA   ASP  66           HA       ASP  66  -7.239   9.713  -7.875
  475   1HB   ASP  66          2HB       ASP  66  -6.673  11.420  -9.480
  476   2HB   ASP  66          1HB       ASP  66  -5.222  11.107  -8.528
  477    H    ARG  67           H        ARG  67  -8.892   9.849  -9.594
  478    HA   ARG  67           HA       ARG  67  -9.892   7.559 -10.633
  479   1HB   ARG  67          2HB       ARG  67 -10.630   9.114 -12.630
  480   2HB   ARG  67          1HB       ARG  67 -11.169   9.477 -10.991
  481   1HG   ARG  67          2HG       ARG  67 -10.063  11.441 -10.984
  482   2HG   ARG  67          1HG       ARG  67  -8.571  10.673 -11.521
  483   1HD   ARG  67          2HD       ARG  67  -8.869  11.456 -13.625
  484   2HD   ARG  67          1HD       ARG  67 -10.505  10.765 -13.690
  485    HE   ARG  67           HE       ARG  67 -11.135  12.831 -12.233
  486   1HH1  ARG  67          1HH2      ARG  67  -9.899  12.812 -15.301
  487   2HH1  ARG  67          2HH2      ARG  67  -9.380  14.464 -15.316
  488   1HH2  ARG  67          2HH1      ARG  67  -9.908  14.942 -11.924
  489   2HH2  ARG  67          1HH1      ARG  67  -9.384  15.669 -13.406
  490    H    ASP  68           H        ASP  68  -7.461   9.501 -12.397
  491    HA   ASP  68           HA       ASP  68  -7.273   7.560 -14.568
  492   1HB   ASP  68          2HB       ASP  68  -6.585  10.228 -14.047
  493   2HB   ASP  68          1HB       ASP  68  -5.040   9.403 -14.255
  494    H    GLU  69           H        GLU  69  -5.382   8.347 -11.678
  495    HA   GLU  69           HA       GLU  69  -3.153   6.609 -12.213
  496   1HB   GLU  69          2HB       GLU  69  -3.594   8.571 -10.511
  497   2HB   GLU  69          1HB       GLU  69  -4.192   7.280  -9.467
  498   1HG   GLU  69          2HG       GLU  69  -2.096   6.160  -9.484
  499   2HG   GLU  69          1HG       GLU  69  -1.503   7.132 -10.830
  500    H    PHE  70           H        PHE  70  -6.151   6.202 -10.344
  501    HA   PHE  70           HA       PHE  70  -5.707   3.563  -9.367
  502   1HB   PHE  70          2HB       PHE  70  -7.468   5.338  -8.790
  503   2HB   PHE  70          1HB       PHE  70  -8.331   4.814 -10.234
  504    HD1  PHE  70           HD1      PHE  70  -7.221   3.850  -6.853
  505    HD2  PHE  70           HD2      PHE  70  -9.410   2.641 -10.345
  506    HE1  PHE  70           HE1      PHE  70  -8.246   1.993  -5.568
  507    HE2  PHE  70           HE2      PHE  70 -10.430   0.784  -9.062
  508    HZ   PHE  70           HZ       PHE  70  -9.850   0.466  -6.673
  509    H    ALA  71           H        ALA  71  -6.528   4.768 -12.530
  510    HA   ALA  71           HA       ALA  71  -7.685   2.303 -13.567
  511   1HB   ALA  71          1HB       ALA  71  -6.469   4.798 -14.795
  512   2HB   ALA  71          2HB       ALA  71  -8.187   4.458 -14.562
  513   3HB   ALA  71          3HB       ALA  71  -7.257   3.537 -15.744
  514    H    VAL  72           H        VAL  72  -4.487   3.796 -13.551
  515    HA   VAL  72           HA       VAL  72  -3.179   1.932 -15.300
  516    HB   VAL  72           HB       VAL  72  -2.096   3.594 -12.999
  517   1HG1  VAL  72          1HG1      VAL  72  -0.864   2.326 -15.447
  518   2HG1  VAL  72          2HG1      VAL  72  -0.357   2.183 -13.765
  519   3HG1  VAL  72          3HG1      VAL  72  -0.101   3.695 -14.635
  520   1HG2  VAL  72          1HG2      VAL  72  -3.462   4.995 -14.474
  521   2HG2  VAL  72          2HG2      VAL  72  -2.659   4.329 -15.893
  522   3HG2  VAL  72          3HG2      VAL  72  -1.755   5.340 -14.765
  523    H    ALA  73           H        ALA  73  -4.029   1.874 -11.902
  524    HA   ALA  73           HA       ALA  73  -2.297  -0.459 -11.329
  525   1HB   ALA  73          1HB       ALA  73  -2.408   0.542  -9.314
  526   2HB   ALA  73          2HB       ALA  73  -4.137   0.190  -9.244
  527   3HB   ALA  73          3HB       ALA  73  -3.572   1.705  -9.951
  528    H    MET  74           H        MET  74  -5.393   0.032 -12.641
  529    HA   MET  74           HA       MET  74  -6.611  -2.378 -11.436
  530   1HB   MET  74          2HB       MET  74  -7.469  -0.427 -13.600
  531   2HB   MET  74          1HB       MET  74  -8.494  -1.708 -12.954
  532   1HG   MET  74          2HG       MET  74  -7.240   0.008 -10.909
  533   2HG   MET  74          1HG       MET  74  -8.403   0.832 -11.950
  534   1HE   MET  74          1HE       MET  74  -7.627  -1.178  -9.123
  535   2HE   MET  74          2HE       MET  74  -7.979  -2.669  -9.994
  536   3HE   MET  74          3HE       MET  74  -9.024  -2.163  -8.668
  537    H    PHE  75           H        PHE  75  -5.544  -1.317 -14.675
  538    HA   PHE  75           HA       PHE  75  -5.996  -3.962 -15.813
  539   1HB   PHE  75          2HB       PHE  75  -5.416  -2.916 -17.819
  540   2HB   PHE  75          1HB       PHE  75  -5.959  -1.535 -16.870
  541    HD1  PHE  75           HD1      PHE  75  -3.373  -2.767 -18.897
  542    HD2  PHE  75           HD2      PHE  75  -4.040  -0.435 -15.354
  543    HE1  PHE  75           HE1      PHE  75  -1.145  -1.720 -19.168
  544    HE2  PHE  75           HE2      PHE  75  -1.812   0.615 -15.631
  545    HZ   PHE  75           HZ       PHE  75  -0.363  -0.033 -17.534
  546    H    LEU  76           H        LEU  76  -3.504  -2.375 -14.041
  547    HA   LEU  76           HA       LEU  76  -1.278  -4.045 -14.909
  548   1HB   LEU  76          2HB       LEU  76  -1.887  -1.899 -12.988
  549   2HB   LEU  76          1HB       LEU  76  -0.707  -3.063 -12.383
  550    HG   LEU  76           HG       LEU  76  -0.550  -1.541 -15.001
  551   1HD1  LEU  76          1HD1      LEU  76   1.425  -1.475 -12.726
  552   2HD1  LEU  76          2HD1      LEU  76   0.012  -0.421 -12.722
  553   3HD1  LEU  76          3HD1      LEU  76   1.196  -0.303 -14.023
  554   1HD2  LEU  76          1HD2      LEU  76   1.858  -2.930 -14.227
  555   2HD2  LEU  76          2HD2      LEU  76   0.924  -3.090 -15.714
  556   3HD2  LEU  76          3HD2      LEU  76   0.517  -4.074 -14.308
  557    H    VAL  77           H        VAL  77  -3.900  -4.239 -12.644
  558    HA   VAL  77           HA       VAL  77  -2.783  -6.571 -11.194
  559    HB   VAL  77           HB       VAL  77  -5.279  -4.837 -11.069
  560   1HG1  VAL  77          1HG1      VAL  77  -4.613  -7.323  -9.448
  561   2HG1  VAL  77          2HG1      VAL  77  -6.000  -7.102 -10.513
  562   3HG1  VAL  77          3HG1      VAL  77  -5.875  -6.167  -9.022
  563   1HG2  VAL  77          1HG2      VAL  77  -3.303  -3.836 -10.091
  564   2HG2  VAL  77          2HG2      VAL  77  -2.913  -5.328  -9.232
  565   3HG2  VAL  77          3HG2      VAL  77  -4.333  -4.394  -8.773
  566    H    TYR  78           H        TYR  78  -5.821  -5.823 -12.928
  567    HA   TYR  78           HA       TYR  78  -6.876  -8.348 -13.280
  568   1HB   TYR  78          2HB       TYR  78  -6.855  -5.779 -14.750
  569   2HB   TYR  78          1HB       TYR  78  -7.427  -7.171 -15.669
  570    HD1  TYR  78           HD1      TYR  78  -8.771  -4.569 -14.140
  571    HD2  TYR  78           HD2      TYR  78  -8.698  -8.833 -13.622
  572    HE1  TYR  78           HE1      TYR  78 -10.939  -4.457 -12.943
  573    HE2  TYR  78           HE2      TYR  78 -10.870  -8.722 -12.425
  574    HH   TYR  78           HH       TYR  78 -12.456  -5.593 -11.783
  575    H    CYS  79           H        CYS  79  -4.013  -7.060 -14.845
  576    HA   CYS  79           HA       CYS  79  -3.965  -9.111 -16.944
  577   1HB   CYS  79          2HB       CYS  79  -2.251  -6.837 -15.983
  578   2HB   CYS  79          1HB       CYS  79  -1.560  -8.023 -17.089
  579    HG   CYS  79           HG       CYS  79  -3.798  -6.009 -17.788
  580    H    ALA  80           H        ALA  80  -2.902  -8.815 -13.656
  581    HA   ALA  80           HA       ALA  80  -0.826 -10.885 -13.905
  582   1HB   ALA  80          1HB       ALA  80  -1.061 -10.519 -11.286
  583   2HB   ALA  80          2HB       ALA  80  -1.966  -9.092 -11.793
  584   3HB   ALA  80          3HB       ALA  80  -0.286  -9.298 -12.294
  585    H    LEU  81           H        LEU  81  -4.204 -10.761 -13.516
  586    HA   LEU  81           HA       LEU  81  -4.391 -13.291 -12.000
  587   1HB   LEU  81          2HB       LEU  81  -6.376 -11.338 -13.191
  588   2HB   LEU  81          1HB       LEU  81  -6.864 -12.817 -12.360
  589    HG   LEU  81           HG       LEU  81  -5.277 -11.945 -10.465
  590   1HD1  LEU  81          1HD1      LEU  81  -5.930  -9.436 -12.022
  591   2HD1  LEU  81          2HD1      LEU  81  -4.328 -10.101 -11.711
  592   3HD1  LEU  81          3HD1      LEU  81  -5.284  -9.451 -10.381
  593   1HD2  LEU  81          1HD2      LEU  81  -7.205 -10.631  -9.527
  594   2HD2  LEU  81          2HD2      LEU  81  -7.675 -12.206 -10.167
  595   3HD2  LEU  81          3HD2      LEU  81  -7.988 -10.744 -11.104
  596    H    GLU  82           H        GLU  82  -5.017 -11.978 -15.221
  597    HA   GLU  82           HA       GLU  82  -6.036 -14.416 -16.377
  598   1HB   GLU  82          2HB       GLU  82  -4.911 -11.799 -17.354
  599   2HB   GLU  82          1HB       GLU  82  -5.302 -13.077 -18.503
  600   1HG   GLU  82          2HG       GLU  82  -7.256 -12.023 -16.442
  601   2HG   GLU  82          1HG       GLU  82  -7.181 -11.439 -18.105
  602    H    LYS  83           H        LYS  83  -2.860 -12.789 -16.679
  603    HA   LYS  83           HA       LYS  83  -1.324 -15.182 -16.399
  604   1HB   LYS  83          2HB       LYS  83  -2.405 -15.965 -18.374
  605   2HB   LYS  83          1HB       LYS  83  -2.195 -14.415 -19.190
  606   1HG   LYS  83          2HG       LYS  83   0.275 -14.754 -19.114
  607   2HG   LYS  83          1HG       LYS  83   0.007 -16.345 -18.403
  608   1HD   LYS  83          2HD       LYS  83  -1.515 -15.785 -20.884
  609   2HD   LYS  83          1HD       LYS  83   0.234 -15.925 -21.077
  610   1HE   LYS  83          2HE       LYS  83  -0.012 -18.178 -21.024
  611   2HE   LYS  83          1HE       LYS  83  -0.540 -18.030 -19.336
  612   1HZ   LYS  83          1HZ       LYS  83  -2.445 -17.317 -21.439
  613   2HZ   LYS  83          2HZ       LYS  83  -2.727 -18.006 -19.911
  614   3HZ   LYS  83          3HZ       LYS  83  -2.145 -18.966 -21.185
  615    H    GLU  84           H        GLU  84  -1.559 -11.901 -17.623
  616    HA   GLU  84           HA       GLU  84   1.322 -11.647 -18.118
  617   1HB   GLU  84          2HB       GLU  84  -1.157 -10.182 -18.543
  618   2HB   GLU  84          1HB       GLU  84   0.137  -9.117 -17.991
  619   1HG   GLU  84          2HG       GLU  84   1.191 -10.968 -19.929
  620   2HG   GLU  84          1HG       GLU  84  -0.232 -10.169 -20.598
  621    HA   PRO  85           HA       PRO  85   2.054 -10.797 -13.769
  622   1HB   PRO  85          2HB       PRO  85   4.776 -10.583 -14.019
  623   2HB   PRO  85          1HB       PRO  85   3.931 -12.142 -13.930
  624   1HG   PRO  85          2HG       PRO  85   4.965 -10.685 -16.317
  625   2HG   PRO  85          1HG       PRO  85   5.014 -12.416 -15.945
  626   1HD   PRO  85          2HD       PRO  85   3.217 -11.337 -17.662
  627   2HD   PRO  85          1HD       PRO  85   2.863 -12.770 -16.672
  628    H    VAL  86           H        VAL  86   3.943  -8.992 -12.912
  629    HA   VAL  86           HA       VAL  86   3.462  -6.522 -14.543
  630    HB   VAL  86           HB       VAL  86   3.155  -6.875 -11.548
  631   1HG1  VAL  86          1HG1      VAL  86   1.900  -4.529 -12.365
  632   2HG1  VAL  86          2HG1      VAL  86   3.402  -4.544 -13.290
  633   3HG1  VAL  86          3HG1      VAL  86   3.450  -4.636 -11.529
  634   1HG2  VAL  86          1HG2      VAL  86   1.218  -7.855 -12.336
  635   2HG2  VAL  86          2HG2      VAL  86   1.262  -6.963 -13.857
  636   3HG2  VAL  86          3HG2      VAL  86   0.714  -6.165 -12.383
  637    HA   PRO  87           HA       PRO  87   7.809  -6.149 -13.537
  638   1HB   PRO  87          2HB       PRO  87   8.336  -4.207 -15.385
  639   2HB   PRO  87          1HB       PRO  87   8.167  -5.919 -15.816
  640   1HG   PRO  87          2HG       PRO  87   6.318  -3.679 -16.268
  641   2HG   PRO  87          1HG       PRO  87   6.484  -5.203 -17.145
  642   1HD   PRO  87          2HD       PRO  87   4.516  -4.540 -15.219
  643   2HD   PRO  87          1HD       PRO  87   4.794  -6.124 -15.974
  644    H    MET  88           H        MET  88   9.206  -4.063 -13.001
  645    HA   MET  88           HA       MET  88   7.513  -2.299 -11.298
  646   1HB   MET  88          2HB       MET  88  10.472  -2.054 -11.439
  647   2HB   MET  88          1HB       MET  88   9.417  -2.009 -10.033
  648   1HG   MET  88          2HG       MET  88   9.034  -4.553 -10.585
  649   2HG   MET  88          1HG       MET  88  10.545  -4.394 -11.475
  650   1HE   MET  88          1HE       MET  88   8.735  -3.143  -8.636
  651   2HE   MET  88          2HE       MET  88   9.993  -2.493  -7.586
  652   3HE   MET  88          3HE       MET  88   9.340  -4.100  -7.276
  653    H    SER  89           H        SER  89   8.261  -2.149 -14.427
  654    HA   SER  89           HA       SER  89   9.200   0.682 -14.326
  655   1HB   SER  89          2HB       SER  89   9.129  -1.277 -16.625
  656   2HB   SER  89          1HB       SER  89   9.976   0.264 -16.577
  657    HG   SER  89           HG       SER  89  11.574  -0.810 -15.744
  658    H    LEU  90           H        LEU  90   7.357   1.881 -14.195
  659    HA   LEU  90           HA       LEU  90   4.871   1.251 -15.479
  660   1HB   LEU  90          2HB       LEU  90   4.457   2.850 -13.913
  661   2HB   LEU  90          1HB       LEU  90   6.142   3.358 -13.897
  662    HG   LEU  90           HG       LEU  90   5.753   4.723 -15.894
  663   1HD1  LEU  90          1HD1      LEU  90   2.797   4.327 -15.644
  664   2HD1  LEU  90          2HD1      LEU  90   3.725   3.096 -16.501
  665   3HD1  LEU  90          3HD1      LEU  90   3.749   4.767 -17.063
  666   1HD2  LEU  90          1HD2      LEU  90   3.801   6.161 -14.733
  667   2HD2  LEU  90          2HD2      LEU  90   5.439   6.105 -14.082
  668   3HD2  LEU  90          3HD2      LEU  90   4.179   5.081 -13.392
  669    HA   PRO  91           HA       PRO  91   6.641   1.976 -19.535
  670   1HB   PRO  91          2HB       PRO  91   4.372   1.232 -20.901
  671   2HB   PRO  91          1HB       PRO  91   5.555   0.080 -20.247
  672   1HG   PRO  91          2HG       PRO  91   2.955   0.978 -19.083
  673   2HG   PRO  91          1HG       PRO  91   3.640  -0.653 -19.178
  674   1HD   PRO  91          2HD       PRO  91   3.746   0.777 -16.910
  675   2HD   PRO  91          1HD       PRO  91   5.079  -0.302 -17.392
  676    HA   PRO  92           HA       PRO  92   5.177   6.049 -20.292
  677   1HB   PRO  92          2HB       PRO  92   6.169   6.340 -22.821
  678   2HB   PRO  92          1HB       PRO  92   7.191   6.392 -21.372
  679   1HG   PRO  92          2HG       PRO  92   6.736   4.163 -23.292
  680   2HG   PRO  92          1HG       PRO  92   8.232   4.678 -22.496
  681   1HD   PRO  92          2HD       PRO  92   6.779   2.538 -21.675
  682   2HD   PRO  92          1HD       PRO  92   7.756   3.529 -20.568
  683    H    ALA  93           H        ALA  93   4.038   3.304 -21.845
  684    HA   ALA  93           HA       ALA  93   2.253   4.752 -23.731
  685   1HB   ALA  93          1HB       ALA  93   2.117   1.807 -23.221
  686   2HB   ALA  93          2HB       ALA  93   3.595   2.433 -23.951
  687   3HB   ALA  93          3HB       ALA  93   2.043   2.678 -24.752
  688    H    LEU  94           H        LEU  94   2.350   3.506 -20.565
  689    HA   LEU  94           HA       LEU  94  -0.600   3.258 -20.313
  690   1HB   LEU  94          2HB       LEU  94   0.562   1.449 -19.350
  691   2HB   LEU  94          1HB       LEU  94   1.891   2.469 -18.816
  692    HG   LEU  94           HG       LEU  94   0.319   1.588 -17.006
  693   1HD1  LEU  94          1HD1      LEU  94   1.678   4.036 -17.355
  694   2HD1  LEU  94          2HD1      LEU  94   1.249   3.253 -15.831
  695   3HD1  LEU  94          3HD1      LEU  94   0.149   4.426 -16.560
  696   1HD2  LEU  94          1HD2      LEU  94  -1.549   3.738 -17.204
  697   2HD2  LEU  94          2HD2      LEU  94  -1.881   2.011 -17.217
  698   3HD2  LEU  94          3HD2      LEU  94  -1.574   2.860 -18.729
  699    H    VAL  95           H        VAL  95   1.990   5.459 -19.803
  700    HA   VAL  95           HA       VAL  95   0.789   6.935 -17.582
  701    HB   VAL  95           HB       VAL  95   3.254   6.796 -19.099
  702   1HG1  VAL  95          1HG1      VAL  95   3.885   9.128 -19.167
  703   2HG1  VAL  95          2HG1      VAL  95   2.357   9.614 -18.434
  704   3HG1  VAL  95          3HG1      VAL  95   2.379   8.957 -20.070
  705   1HG2  VAL  95          1HG2      VAL  95   2.955   6.491 -16.646
  706   2HG2  VAL  95          2HG2      VAL  95   2.570   8.205 -16.505
  707   3HG2  VAL  95          3HG2      VAL  95   4.177   7.704 -17.029
  708    HA   PRO  96           HA       PRO  96  -1.943   9.359 -20.057
  709   1HB   PRO  96          2HB       PRO  96  -2.369  11.388 -18.269
  710   2HB   PRO  96          1HB       PRO  96  -3.103   9.781 -18.098
  711   1HG   PRO  96          2HG       PRO  96  -0.727  10.931 -16.722
  712   2HG   PRO  96          1HG       PRO  96  -2.007   9.887 -16.084
  713   1HD   PRO  96          2HD       PRO  96   0.468   8.974 -16.767
  714   2HD   PRO  96          1HD       PRO  96  -0.999   7.970 -16.830
  715    HA   PRO  97           HA       PRO  97   0.411  12.624 -21.821
  716   1HB   PRO  97          2HB       PRO  97  -1.458  14.558 -22.334
  717   2HB   PRO  97          1HB       PRO  97  -1.364  13.042 -23.252
  718   1HG   PRO  97          2HG       PRO  97  -3.222  13.816 -21.062
  719   2HG   PRO  97          1HG       PRO  97  -3.527  12.852 -22.515
  720   1HD   PRO  97          2HD       PRO  97  -3.164  11.786 -20.017
  721   2HD   PRO  97          1HD       PRO  97  -2.833  10.915 -21.529
  722    H    SER  98           H        SER  98  -0.870  12.959 -18.764
  723    HA   SER  98           HA       SER  98  -0.088  15.789 -18.394
  724   1HB   SER  98          2HB       SER  98  -0.779  15.015 -15.959
  725   2HB   SER  98          1HB       SER  98  -2.018  15.248 -17.189
  726    HG   SER  98           HG       SER  98  -1.212  12.982 -15.923
  727    H    LYS  99           H        LYS  99   1.101  12.552 -17.736
  728    HA   LYS  99           HA       LYS  99   3.309  13.562 -16.049
  729   1HB   LYS  99          2HB       LYS  99   1.888  11.336 -15.915
  730   2HB   LYS  99          1HB       LYS  99   3.038  10.766 -17.125
  731   1HG   LYS  99          2HG       LYS  99   4.723  11.934 -15.322
  732   2HG   LYS  99          1HG       LYS  99   3.452  11.334 -14.255
  733   1HD   LYS  99          2HD       LYS  99   3.766   9.097 -14.935
  734   2HD   LYS  99          1HD       LYS  99   4.632   9.571 -16.396
  735   1HE   LYS  99          2HE       LYS  99   5.971  10.595 -14.021
  736   2HE   LYS  99          1HE       LYS  99   5.810   8.828 -13.967
  737   1HZ   LYS  99          1HZ       LYS  99   6.617  10.218 -16.446
  738   2HZ   LYS  99          2HZ       LYS  99   6.840   8.588 -16.024
  739   3HZ   LYS  99          3HZ       LYS  99   7.770   9.797 -15.275
  740    H    ARG 100           H        ARG 100   2.717  13.689 -19.266
  741    HA   ARG 100           HA       ARG 100   5.317  12.660 -20.238
  742   1HB   ARG 100          2HB       ARG 100   3.093  14.201 -21.610
  743   2HB   ARG 100          1HB       ARG 100   4.377  13.291 -22.408
  744   1HG   ARG 100          2HG       ARG 100   3.472  11.311 -20.910
  745   2HG   ARG 100          1HG       ARG 100   1.996  12.277 -20.901
  746   1HD   ARG 100          2HD       ARG 100   1.554  11.828 -23.097
  747   2HD   ARG 100          1HD       ARG 100   3.260  11.986 -23.563
  748    HE   ARG 100           HE       ARG 100   3.451   9.708 -22.220
  749   1HH1  ARG 100          1HH2      ARG 100   0.278  10.286 -22.879
  750   2HH1  ARG 100          2HH2      ARG 100   0.033   8.930 -23.928
  751   1HH2  ARG 100          2HH1      ARG 100   3.408   8.163 -24.157
  752   2HH2  ARG 100          1HH1      ARG 100   1.806   7.726 -24.650
  753    H    SER 107           1H       SER 107   5.298   9.577   1.137
  754    HA   SER 107           HA       SER 107   4.740   8.346  -1.441
  755   1HB   SER 107          2HB       SER 107   6.470  10.183  -0.213
  756   2HB   SER 107          1HB       SER 107   7.477   8.777  -0.540
  757    HG   SER 107           HG       SER 107   7.484   9.997  -2.377
  758    H    THR 108           H        THR 108   4.062   6.182  -0.604
  759    HA   THR 108           HA       THR 108   6.373   4.399  -0.283
  760    HB   THR 108           HB       THR 108   4.388   4.122   1.907
  761    HG1  THR 108           HG1      THR 108   6.349   6.040   2.322
  762   1HG2  THR 108          1HG2      THR 108   6.087   2.856   2.653
  763   2HG2  THR 108          2HG2      THR 108   7.090   4.301   2.781
  764   3HG2  THR 108          3HG2      THR 108   7.081   3.364   1.287
  765    H    ASN 109           H        ASN 109   5.560   2.062  -0.076
  766    HA   ASN 109           HA       ASN 109   3.088   1.737  -1.726
  767   1HB   ASN 109          2HB       ASN 109   5.292   0.874  -2.516
  768   2HB   ASN 109          1HB       ASN 109   5.377  -0.156  -1.087
  769   1HD2  ASN 109          1HD2      ASN 109   3.820   0.281  -4.207
  770   2HD2  ASN 109          2HD2      ASN 109   3.004  -1.204  -4.227
  771    HA   PRO 110           HA       PRO 110   1.343   0.347   2.161
  772   1HB   PRO 110          2HB       PRO 110  -1.223   0.110   1.242
  773   2HB   PRO 110          1HB       PRO 110  -0.486   1.664   1.681
  774   1HG   PRO 110          2HG       PRO 110  -0.939   0.480  -0.996
  775   2HG   PRO 110          1HG       PRO 110  -1.024   2.164  -0.476
  776   1HD   PRO 110          2HD       PRO 110   1.095   1.074  -1.846
  777   2HD   PRO 110          1HD       PRO 110   1.197   2.517  -0.815
  778    H    PHE 111           H        PHE 111   2.124  -1.468  -0.465
  779    HA   PHE 111           HA       PHE 111   0.586  -3.875   0.447
  780   1HB   PHE 111          2HB       PHE 111   2.249  -3.576  -2.066
  781   2HB   PHE 111          1HB       PHE 111   0.981  -4.756  -1.749
  782    HD1  PHE 111           HD1      PHE 111   1.585  -1.092  -2.157
  783    HD2  PHE 111           HD2      PHE 111  -1.285  -4.295  -2.365
  784    HE1  PHE 111           HE1      PHE 111  -0.081   0.455  -3.118
  785    HE2  PHE 111           HE2      PHE 111  -2.939  -2.734  -3.312
  786    HZ   PHE 111           HZ       PHE 111  -2.337  -0.356  -3.699
  787    H    ARG 112           HN       ARG 112   3.790  -3.233  -0.971
  788    HA   ARG 112           HA       ARG 112   5.224  -5.409  -0.050
  789   1HB   ARG 112          2HB       ARG 112   6.048  -2.487  -0.126
  790   2HB   ARG 112          1HB       ARG 112   7.169  -3.850  -0.115
  791   1HG   ARG 112          2HG       ARG 112   5.475  -4.532  -2.169
  792   2HG   ARG 112          1HG       ARG 112   5.543  -2.778  -2.325
  793   1HD   ARG 112          2HD       ARG 112   8.186  -3.919  -1.805
  794   2HD   ARG 112          1HD       ARG 112   7.459  -4.552  -3.294
  795    HE   ARG 112           HE       ARG 112   6.912  -1.813  -3.337
  796   1HH1  ARG 112          1HH2      ARG 112   9.825  -3.128  -2.271
  797   2HH1  ARG 112          2HH2      ARG 112  10.813  -2.330  -3.447
  798   1HH2  ARG 112          1HH1      ARG 112   8.125  -1.074  -5.242
  799   2HH2  ARG 112          2HH1      ARG 112   9.851  -1.168  -5.130
  Start of MODEL   14
    1    HA   PRO   6           HA       PRO   6  -1.512   6.127 -27.256
    2   1HB   PRO   6          2HB       PRO   6  -3.921   4.888 -26.861
    3   2HB   PRO   6          1HB       PRO   6  -3.415   5.535 -28.435
    4   1HG   PRO   6          2HG       PRO   6  -3.400   2.731 -27.449
    5   2HG   PRO   6          1HG       PRO   6  -3.776   3.359 -29.060
    6   1HD   PRO   6          2HD       PRO   6  -1.389   2.199 -28.401
    7   2HD   PRO   6          1HD       PRO   6  -1.583   3.399 -29.698
    8    H    TRP   7           H        TRP   7  -3.237   5.941 -25.154
    9    HA   TRP   7           HA       TRP   7  -1.580   5.266 -22.925
   10   1HB   TRP   7          2HB       TRP   7  -3.462   6.910 -22.991
   11   2HB   TRP   7          1HB       TRP   7  -4.597   5.563 -23.096
   12    HD1  TRP   7           HD1      TRP   7  -1.595   4.919 -20.991
   13    HE1  TRP   7           HE1      TRP   7  -2.239   4.937 -18.502
   14    HE3  TRP   7           HE3      TRP   7  -6.323   6.804 -21.329
   15    HZ2  TRP   7           HZ2      TRP   7  -4.474   5.660 -16.860
   16    HZ3  TRP   7           HZ3      TRP   7  -7.688   7.147 -19.290
   17    HH2  TRP   7           HH2      TRP   7  -6.772   6.578 -17.058
   18    H    ALA   8           H        ALA   8  -1.101   3.223 -22.232
   19    HA   ALA   8           HA       ALA   8  -1.990   0.785 -23.165
   20   1HB   ALA   8          1HB       ALA   8  -1.480   1.430 -20.249
   21   2HB   ALA   8          2HB       ALA   8  -0.197   1.329 -21.455
   22   3HB   ALA   8          3HB       ALA   8  -1.162  -0.097 -21.071
   23    H    VAL   9           H        VAL   9  -3.716   2.981 -21.043
   24    HA   VAL   9           HA       VAL   9  -5.827   0.926 -20.559
   25    HB   VAL   9           HB       VAL   9  -5.143   3.632 -19.388
   26   1HG1  VAL   9          1HG1      VAL   9  -7.518   3.645 -19.380
   27   2HG1  VAL   9          2HG1      VAL   9  -7.078   3.031 -17.786
   28   3HG1  VAL   9          3HG1      VAL   9  -7.607   1.916 -19.046
   29   1HG2  VAL   9          1HG2      VAL   9  -4.592   0.857 -18.747
   30   2HG2  VAL   9          2HG2      VAL   9  -5.472   1.634 -17.429
   31   3HG2  VAL   9          3HG2      VAL   9  -3.948   2.317 -17.996
   32    H    LYS  10           H        LYS  10  -8.013   1.371 -21.143
   33    HA   LYS  10           HA       LYS  10  -8.324   3.454 -23.277
   34   1HB   LYS  10          2HB       LYS  10  -9.546   0.742 -22.718
   35   2HB   LYS  10          1HB       LYS  10 -10.248   1.843 -23.901
   36   1HG   LYS  10          2HG       LYS  10  -7.634   1.933 -24.645
   37   2HG   LYS  10          1HG       LYS  10  -7.736   0.281 -24.036
   38   1HD   LYS  10          2HD       LYS  10  -9.865   0.066 -25.465
   39   2HD   LYS  10          1HD       LYS  10  -9.338   1.551 -26.257
   40   1HE   LYS  10          2HE       LYS  10  -7.174   0.474 -26.829
   41   2HE   LYS  10          1HE       LYS  10  -7.741  -1.030 -26.074
   42   1HZ   LYS  10          1HZ       LYS  10  -8.241  -1.076 -28.422
   43   2HZ   LYS  10          2HZ       LYS  10  -9.050   0.415 -28.318
   44   3HZ   LYS  10          3HZ       LYS  10  -9.687  -0.955 -27.544
   45    HA   PRO  11           HA       PRO  11 -11.457   5.520 -21.000
   46   1HB   PRO  11          2HB       PRO  11 -13.568   5.681 -22.757
   47   2HB   PRO  11          1HB       PRO  11 -12.110   6.688 -22.885
   48   1HG   PRO  11          2HG       PRO  11 -12.799   4.167 -24.335
   49   2HG   PRO  11          1HG       PRO  11 -12.095   5.668 -24.964
   50   1HD   PRO  11          2HD       PRO  11 -10.568   3.531 -24.467
   51   2HD   PRO  11          1HD       PRO  11  -9.979   5.177 -24.143
   52    H    GLU  12           H        GLU  12 -12.536   2.588 -22.683
   53    HA   GLU  12           HA       GLU  12 -14.871   2.130 -21.038
   54   1HB   GLU  12          2HB       GLU  12 -14.895   0.008 -22.180
   55   2HB   GLU  12          1HB       GLU  12 -14.274   1.183 -23.340
   56   1HG   GLU  12          2HG       GLU  12 -11.938   0.480 -22.291
   57   2HG   GLU  12          1HG       GLU  12 -12.820  -0.992 -21.885
   58    H    ASP  13           H        ASP  13 -11.446   1.373 -20.742
   59    HA   ASP  13           HA       ASP  13 -11.821  -0.447 -18.467
   60   1HB   ASP  13          2HB       ASP  13  -9.718   0.480 -20.279
   61   2HB   ASP  13          1HB       ASP  13  -9.157   0.390 -18.609
   62    H    LYS  14           H        LYS  14 -10.811   2.891 -19.072
   63    HA   LYS  14           HA       LYS  14 -10.227   3.513 -16.303
   64   1HB   LYS  14          2HB       LYS  14  -9.218   4.829 -18.021
   65   2HB   LYS  14          1HB       LYS  14 -10.765   5.088 -18.827
   66   1HG   LYS  14          2HG       LYS  14 -10.233   7.122 -17.661
   67   2HG   LYS  14          1HG       LYS  14 -11.525   6.331 -16.758
   68   1HD   LYS  14          2HD       LYS  14 -10.148   5.783 -14.993
   69   2HD   LYS  14          1HD       LYS  14  -8.715   5.654 -16.013
   70   1HE   LYS  14          2HE       LYS  14 -10.084   8.279 -15.313
   71   2HE   LYS  14          1HE       LYS  14  -8.618   7.662 -14.525
   72   1HZ   LYS  14          1HZ       LYS  14  -8.731   9.076 -16.891
   73   2HZ   LYS  14          2HZ       LYS  14  -8.419   7.473 -17.359
   74   3HZ   LYS  14          3HZ       LYS  14  -7.386   8.258 -16.263
   75    H    ALA  15           H        ALA  15 -13.087   3.133 -18.150
   76    HA   ALA  15           HA       ALA  15 -14.801   4.937 -16.624
   77   1HB   ALA  15          1HB       ALA  15 -15.292   2.586 -18.487
   78   2HB   ALA  15          2HB       ALA  15 -15.322   4.295 -18.922
   79   3HB   ALA  15          3HB       ALA  15 -16.571   3.630 -17.869
   80    H    LYS  16           H        LYS  16 -14.004   1.474 -16.601
   81    HA   LYS  16           HA       LYS  16 -15.798   0.919 -14.351
   82   1HB   LYS  16          2HB       LYS  16 -15.334  -1.262 -14.914
   83   2HB   LYS  16          1HB       LYS  16 -14.751  -0.522 -16.401
   84   1HG   LYS  16          2HG       LYS  16 -12.479  -0.508 -15.566
   85   2HG   LYS  16          1HG       LYS  16 -13.018  -1.081 -13.988
   86   1HD   LYS  16          2HD       LYS  16 -12.182  -3.003 -15.166
   87   2HD   LYS  16          1HD       LYS  16 -13.941  -3.129 -15.170
   88   1HE   LYS  16          2HE       LYS  16 -13.330  -1.609 -17.457
   89   2HE   LYS  16          1HE       LYS  16 -12.141  -2.927 -17.435
   90   1HZ   LYS  16          1HZ       LYS  16 -15.080  -3.216 -17.100
   91   2HZ   LYS  16          2HZ       LYS  16 -13.955  -4.483 -16.981
   92   3HZ   LYS  16          3HZ       LYS  16 -14.185  -3.683 -18.462
   93    H    TYR  17           H        TYR  17 -12.495   1.872 -14.899
   94    HA   TYR  17           HA       TYR  17 -11.441   1.174 -12.283
   95   1HB   TYR  17          2HB       TYR  17 -10.624   3.170 -14.427
   96   2HB   TYR  17          1HB       TYR  17  -9.627   2.751 -13.037
   97    HD1  TYR  17           HD1      TYR  17 -11.428  -0.132 -13.837
   98    HD2  TYR  17           HD2      TYR  17  -8.152   2.249 -15.262
   99    HE1  TYR  17           HE1      TYR  17 -10.541  -2.091 -15.064
  100    HE2  TYR  17           HE2      TYR  17  -7.253   0.286 -16.484
  101    HH   TYR  17           HH       TYR  17  -7.960  -1.813 -17.358
  102    H    ASP  18           H        ASP  18 -13.005   3.990 -13.749
  103    HA   ASP  18           HA       ASP  18 -12.565   5.795 -11.522
  104   1HB   ASP  18          2HB       ASP  18 -13.951   5.683 -14.101
  105   2HB   ASP  18          1HB       ASP  18 -14.861   6.596 -12.896
  106    H    ALA  19           H        ALA  19 -14.792   3.196 -12.111
  107    HA   ALA  19           HA       ALA  19 -16.804   4.112 -10.175
  108   1HB   ALA  19          1HB       ALA  19 -16.415   2.033 -12.181
  109   2HB   ALA  19          2HB       ALA  19 -17.924   2.660 -11.516
  110   3HB   ALA  19          3HB       ALA  19 -17.068   1.358 -10.689
  111    H    ILE  20           H        ILE  20 -14.105   1.822 -10.334
  112    HA   ILE  20           HA       ILE  20 -14.493   0.802  -7.643
  113    HB   ILE  20           HB       ILE  20 -12.245   0.751  -9.684
  114   1HG1  ILE  20          2HG1      ILE  20 -14.003  -1.540  -8.806
  115   2HG1  ILE  20          1HG1      ILE  20 -14.519  -0.435 -10.079
  116   1HG2  ILE  20          1HG2      ILE  20 -12.505  -0.982  -7.224
  117   2HG2  ILE  20          2HG2      ILE  20 -11.526   0.483  -7.263
  118   3HG2  ILE  20          3HG2      ILE  20 -11.133  -0.867  -8.327
  119   1HD1  ILE  20          1HD1      ILE  20 -12.615  -0.979 -11.441
  120   2HD1  ILE  20          2HD1      ILE  20 -13.304  -2.509 -10.896
  121   3HD1  ILE  20          3HD1      ILE  20 -11.852  -1.870 -10.123
  122    H    PHE  21           H        PHE  21 -12.771   3.392  -9.236
  123    HA   PHE  21           HA       PHE  21 -11.043   4.092  -7.023
  124   1HB   PHE  21          2HB       PHE  21 -10.240   4.911  -9.027
  125   2HB   PHE  21          1HB       PHE  21 -11.856   5.115  -9.697
  126    HD1  PHE  21           HD1      PHE  21  -9.094   6.727  -7.984
  127    HD2  PHE  21           HD2      PHE  21 -13.261   7.080  -8.961
  128    HE1  PHE  21           HE1      PHE  21  -9.010   9.150  -7.465
  129    HE2  PHE  21           HE2      PHE  21 -13.177   9.503  -8.444
  130    HZ   PHE  21           HZ       PHE  21 -11.053  10.537  -7.696
  131    H    ASP  22           H        ASP  22 -14.231   5.075  -8.168
  132    HA   ASP  22           HA       ASP  22 -14.543   7.088  -6.028
  133   1HB   ASP  22          2HB       ASP  22 -15.402   7.712  -8.145
  134   2HB   ASP  22          1HB       ASP  22 -16.125   6.123  -8.414
  135    H    SER  23           H        SER  23 -14.793   3.780  -6.155
  136    HA   SER  23           HA       SER  23 -17.299   3.519  -4.599
  137   1HB   SER  23          2HB       SER  23 -16.717   1.857  -6.297
  138   2HB   SER  23          1HB       SER  23 -15.152   1.584  -5.535
  139    HG   SER  23           HG       SER  23 -16.448   0.002  -4.756
  140    H    LEU  24           H        LEU  24 -14.067   4.248  -4.030
  141    HA   LEU  24           HA       LEU  24 -14.067   3.119  -1.262
  142   1HB   LEU  24          2HB       LEU  24 -11.737   4.474  -2.580
  143   2HB   LEU  24          1HB       LEU  24 -11.741   3.116  -1.459
  144    HG   LEU  24           HG       LEU  24 -12.825   2.905  -4.272
  145   1HD1  LEU  24          1HD1      LEU  24 -10.152   3.369  -3.578
  146   2HD1  LEU  24          2HD1      LEU  24 -10.738   2.726  -5.111
  147   3HD1  LEU  24          3HD1      LEU  24 -10.254   1.628  -3.819
  148   1HD2  LEU  24          1HD2      LEU  24 -11.605   0.615  -2.855
  149   2HD2  LEU  24          2HD2      LEU  24 -13.098   0.688  -3.792
  150   3HD2  LEU  24          3HD2      LEU  24 -13.080   1.238  -2.116
  151    H    SER  25           H        SER  25 -14.559   5.931  -3.075
  152    HA   SER  25           HA       SER  25 -15.236   8.082  -2.272
  153   1HB   SER  25          2HB       SER  25 -15.401   8.423   0.010
  154   2HB   SER  25          1HB       SER  25 -15.265   6.668   0.011
  155    HG   SER  25           HG       SER  25 -13.276   8.618   0.505
  156    HA   PRO  26           HA       PRO  26 -11.021   9.196  -3.481
  157   1HB   PRO  26          2HB       PRO  26 -11.811  11.141  -5.224
  158   2HB   PRO  26          1HB       PRO  26 -11.782   9.418  -5.653
  159   1HG   PRO  26          2HG       PRO  26 -14.078  11.139  -4.877
  160   2HG   PRO  26          1HG       PRO  26 -13.991   9.849  -6.087
  161   1HD   PRO  26          2HD       PRO  26 -15.096   9.541  -3.603
  162   2HD   PRO  26          1HD       PRO  26 -14.398   8.209  -4.548
  163    H    VAL  27           H        VAL  27  -9.778  11.004  -2.897
  164    HA   VAL  27           HA       VAL  27 -11.208  13.188  -1.425
  165    HB   VAL  27           HB       VAL  27  -8.559  11.838  -0.803
  166   1HG1  VAL  27          1HG1      VAL  27  -8.471  14.115  -0.054
  167   2HG1  VAL  27          2HG1      VAL  27  -8.853  13.143   1.367
  168   3HG1  VAL  27          3HG1      VAL  27 -10.127  14.048   0.548
  169   1HG2  VAL  27          1HG2      VAL  27  -9.670  10.704   0.959
  170   2HG2  VAL  27          2HG2      VAL  27 -10.778  10.559  -0.406
  171   3HG2  VAL  27          3HG2      VAL  27 -11.083  11.754   0.854
  172    H    ASN  28           H        ASN  28 -10.996  14.928  -2.826
  173    HA   ASN  28           HA       ASN  28  -9.902  16.593  -4.101
  174   1HB   ASN  28          2HB       ASN  28  -8.423  16.375  -2.015
  175   2HB   ASN  28          1HB       ASN  28  -7.370  15.357  -2.995
  176   1HD2  ASN  28          1HD2      ASN  28  -6.739  16.440  -5.210
  177   2HD2  ASN  28          2HD2      ASN  28  -6.381  18.098  -5.151
  178    H    GLY  29           H        GLY  29 -10.106  13.535  -4.852
  179   1HA   GLY  29          2HA       GLY  29  -9.881  12.629  -7.065
  180   2HA   GLY  29          1HA       GLY  29  -8.650  13.845  -7.412
  181    H    PHE  30           H        PHE  30  -8.756  11.724  -4.571
  182    HA   PHE  30           HA       PHE  30  -6.480  10.149  -5.661
  183   1HB   PHE  30          2HB       PHE  30  -6.467  11.944  -3.226
  184   2HB   PHE  30          1HB       PHE  30  -5.233  10.705  -3.506
  185    HD1  PHE  30           HD1      PHE  30  -6.440  13.995  -4.414
  186    HD2  PHE  30           HD2      PHE  30  -3.884  10.766  -5.616
  187    HE1  PHE  30           HE1      PHE  30  -5.279  15.511  -5.981
  188    HE2  PHE  30           HE2      PHE  30  -2.701  12.289  -7.186
  189    HZ   PHE  30           HZ       PHE  30  -3.400  14.666  -7.369
  190    H    LEU  31           H        LEU  31  -6.278   8.132  -4.753
  191    HA   LEU  31           HA       LEU  31  -8.296   7.385  -2.653
  192   1HB   LEU  31          2HB       LEU  31  -7.045   5.942  -4.989
  193   2HB   LEU  31          1HB       LEU  31  -7.688   5.033  -3.620
  194    HG   LEU  31           HG       LEU  31  -9.178   6.867  -5.496
  195   1HD1  LEU  31          1HD1      LEU  31  -8.994   3.965  -4.892
  196   2HD1  LEU  31          2HD1      LEU  31  -9.339   4.774  -6.424
  197   3HD1  LEU  31          3HD1      LEU  31 -10.614   4.589  -5.218
  198   1HD2  LEU  31          1HD2      LEU  31 -11.132   6.053  -3.888
  199   2HD2  LEU  31          2HD2      LEU  31 -10.207   7.507  -3.510
  200   3HD2  LEU  31          3HD2      LEU  31  -9.826   5.985  -2.705
  201    H    SER  32           H        SER  32  -7.409   6.712  -0.748
  202    HA   SER  32           HA       SER  32  -4.494   6.730  -0.463
  203   1HB   SER  32          2HB       SER  32  -6.505   5.832   1.595
  204   2HB   SER  32          1HB       SER  32  -4.985   6.684   1.849
  205    HG   SER  32           HG       SER  32  -6.886   8.025   2.010
  206    H    GLY  33           H        GLY  33  -3.193   4.898   0.003
  207   1HA   GLY  33          2HA       GLY  33  -3.711   2.475  -1.261
  208   2HA   GLY  33          1HA       GLY  33  -2.675   2.590   0.167
  209    H    ASP  34           H        ASP  34  -4.916   3.661   1.774
  210    HA   ASP  34           HA       ASP  34  -5.888   1.270   2.971
  211   1HB   ASP  34          2HB       ASP  34  -5.734   3.650   3.878
  212   2HB   ASP  34          1HB       ASP  34  -7.208   3.996   2.976
  213    H    LYS  35           H        LYS  35  -7.051   3.141   0.242
  214    HA   LYS  35           HA       LYS  35  -9.622   1.650   0.178
  215   1HB   LYS  35          2HB       LYS  35  -8.411   4.024  -1.267
  216   2HB   LYS  35          1HB       LYS  35  -9.955   3.324  -1.744
  217   1HG   LYS  35          2HG       LYS  35 -10.908   3.779   0.436
  218   2HG   LYS  35          1HG       LYS  35  -9.341   4.298   1.057
  219   1HD   LYS  35          2HD       LYS  35  -9.336   6.120  -0.679
  220   2HD   LYS  35          1HD       LYS  35 -10.991   5.665  -1.083
  221   1HE   LYS  35          2HE       LYS  35 -10.843   7.572   0.571
  222   2HE   LYS  35          1HE       LYS  35 -11.731   6.169   1.197
  223   1HZ   LYS  35          1HZ       LYS  35  -8.829   6.177   1.527
  224   2HZ   LYS  35          2HZ       LYS  35 -10.035   5.571   2.558
  225   3HZ   LYS  35          3HZ       LYS  35  -9.711   7.239   2.513
  226    H    VAL  36           H        VAL  36  -6.609   2.196  -1.572
  227    HA   VAL  36           HA       VAL  36  -7.304   0.492  -3.834
  228    HB   VAL  36           HB       VAL  36  -4.708   1.621  -2.768
  229   1HG1  VAL  36          1HG1      VAL  36  -5.087  -0.417  -4.630
  230   2HG1  VAL  36          2HG1      VAL  36  -3.627   0.552  -4.433
  231   3HG1  VAL  36          3HG1      VAL  36  -4.848   1.023  -5.613
  232   1HG2  VAL  36          1HG2      VAL  36  -6.379   2.541  -5.119
  233   2HG2  VAL  36          2HG2      VAL  36  -5.046   3.395  -4.342
  234   3HG2  VAL  36          3HG2      VAL  36  -6.581   3.203  -3.495
  235    H    LYS  37           H        LYS  37  -5.355   0.110  -0.869
  236    HA   LYS  37           HA       LYS  37  -4.088  -2.292  -1.311
  237   1HB   LYS  37          2HB       LYS  37  -4.100  -0.820   0.752
  238   2HB   LYS  37          1HB       LYS  37  -5.585  -1.634   1.233
  239   1HG   LYS  37          2HG       LYS  37  -4.400  -3.363   2.045
  240   2HG   LYS  37          1HG       LYS  37  -3.652  -3.611   0.467
  241   1HD   LYS  37          2HD       LYS  37  -1.718  -2.660   1.135
  242   2HD   LYS  37          1HD       LYS  37  -2.562  -1.274   1.825
  243   1HE   LYS  37          2HE       LYS  37  -3.155  -3.445   3.537
  244   2HE   LYS  37          1HE       LYS  37  -1.413  -3.542   3.204
  245   1HZ   LYS  37          1HZ       LYS  37  -1.165  -1.237   3.744
  246   2HZ   LYS  37          2HZ       LYS  37  -1.962  -1.995   5.039
  247   3HZ   LYS  37          3HZ       LYS  37  -2.839  -1.041   3.939
  248    HA   PRO  38           HA       PRO  38  -8.013  -4.799  -0.151
  249   1HB   PRO  38          2HB       PRO  38 -10.416  -3.496  -0.362
  250   2HB   PRO  38          1HB       PRO  38  -9.501  -3.601   1.156
  251   1HG   PRO  38          2HG       PRO  38  -9.658  -1.366  -0.809
  252   2HG   PRO  38          1HG       PRO  38  -9.657  -1.315   0.962
  253   1HD   PRO  38          2HD       PRO  38  -7.463  -0.751  -0.499
  254   2HD   PRO  38          1HD       PRO  38  -7.375  -1.513   1.104
  255    H    VAL  39           H        VAL  39  -8.291  -2.206  -2.522
  256    HA   VAL  39           HA       VAL  39  -9.878  -3.579  -4.475
  257    HB   VAL  39           HB       VAL  39  -8.038  -1.232  -4.288
  258   1HG1  VAL  39          1HG1      VAL  39  -8.493  -2.777  -6.768
  259   2HG1  VAL  39          2HG1      VAL  39  -7.225  -1.613  -6.381
  260   3HG1  VAL  39          3HG1      VAL  39  -8.814  -1.047  -6.899
  261   1HG2  VAL  39          1HG2      VAL  39 -10.742  -1.624  -4.092
  262   2HG2  VAL  39          2HG2      VAL  39 -10.585  -1.103  -5.770
  263   3HG2  VAL  39          3HG2      VAL  39  -9.983  -0.077  -4.469
  264    H    LEU  40           H        LEU  40  -6.386  -3.470  -3.833
  265    HA   LEU  40           HA       LEU  40  -5.774  -5.135  -6.196
  266   1HB   LEU  40          2HB       LEU  40  -4.002  -4.174  -3.932
  267   2HB   LEU  40          1HB       LEU  40  -3.503  -4.647  -5.556
  268    HG   LEU  40           HG       LEU  40  -5.430  -2.379  -5.067
  269   1HD1  LEU  40          1HD1      LEU  40  -3.615  -1.448  -4.047
  270   2HD1  LEU  40          2HD1      LEU  40  -3.183  -1.099  -5.723
  271   3HD1  LEU  40          3HD1      LEU  40  -2.461  -2.480  -4.893
  272   1HD2  LEU  40          1HD2      LEU  40  -4.581  -1.756  -7.353
  273   2HD2  LEU  40          2HD2      LEU  40  -5.468  -3.281  -7.301
  274   3HD2  LEU  40          3HD2      LEU  40  -3.705  -3.287  -7.379
  275    H    LEU  41           H        LEU  41  -6.063  -5.446  -2.699
  276    HA   LEU  41           HA       LEU  41  -4.808  -8.037  -2.498
  277   1HB   LEU  41          2HB       LEU  41  -6.783  -6.462  -0.826
  278   2HB   LEU  41          1HB       LEU  41  -6.096  -7.999  -0.303
  279    HG   LEU  41           HG       LEU  41  -4.347  -5.708  -1.182
  280   1HD1  LEU  41          1HD1      LEU  41  -4.103  -5.218   1.272
  281   2HD1  LEU  41          2HD1      LEU  41  -5.450  -6.313   1.577
  282   3HD1  LEU  41          3HD1      LEU  41  -5.706  -4.842   0.637
  283   1HD2  LEU  41          1HD2      LEU  41  -3.491  -7.591   0.908
  284   2HD2  LEU  41          2HD2      LEU  41  -2.641  -7.070  -0.549
  285   3HD2  LEU  41          3HD2      LEU  41  -3.841  -8.364  -0.639
  286    H    ASN  42           H        ASN  42  -7.743  -6.936  -3.832
  287    HA   ASN  42           HA       ASN  42  -9.235  -9.406  -3.256
  288   1HB   ASN  42          2HB       ASN  42  -9.811  -6.710  -3.817
  289   2HB   ASN  42          1HB       ASN  42 -10.404  -7.610  -5.214
  290   1HD2  ASN  42          1HD2      ASN  42 -12.385  -6.493  -3.700
  291   2HD2  ASN  42          2HD2      ASN  42 -13.162  -7.657  -2.741
  292    H    SER  43           H        SER  43  -7.012  -8.321  -5.581
  293    HA   SER  43           HA       SER  43  -8.117  -9.727  -7.899
  294   1HB   SER  43          2HB       SER  43  -6.060  -8.960  -8.936
  295   2HB   SER  43          1HB       SER  43  -6.676  -7.664  -7.916
  296    HG   SER  43           HG       SER  43  -4.383  -8.182  -7.689
  297    H    LYS  44           H        LYS  44  -7.073 -11.029  -5.138
  298    HA   LYS  44           HA       LYS  44  -6.207 -13.153  -4.584
  299   1HB   LYS  44          2HB       LYS  44  -7.449 -13.294  -7.115
  300   2HB   LYS  44          1HB       LYS  44  -5.920 -14.156  -7.291
  301   1HG   LYS  44          2HG       LYS  44  -6.480 -15.415  -5.176
  302   2HG   LYS  44          1HG       LYS  44  -8.078 -14.669  -5.226
  303   1HD   LYS  44          2HD       LYS  44  -8.592 -16.551  -6.426
  304   2HD   LYS  44          1HD       LYS  44  -7.940 -15.598  -7.759
  305   1HE   LYS  44          2HE       LYS  44  -5.633 -16.654  -6.821
  306   2HE   LYS  44          1HE       LYS  44  -6.759 -17.952  -6.376
  307   1HZ   LYS  44          1HZ       LYS  44  -7.694 -17.402  -8.761
  308   2HZ   LYS  44          2HZ       LYS  44  -6.411 -18.496  -8.549
  309   3HZ   LYS  44          3HZ       LYS  44  -6.097 -16.896  -9.026
  310    H    LEU  45           H        LEU  45  -4.546 -10.779  -5.958
  311    HA   LEU  45           HA       LEU  45  -2.100 -12.258  -6.753
  312   1HB   LEU  45          2HB       LEU  45  -3.122  -9.432  -6.750
  313   2HB   LEU  45          1HB       LEU  45  -1.384  -9.712  -6.872
  314    HG   LEU  45           HG       LEU  45  -3.508 -10.847  -8.706
  315   1HD1  LEU  45          1HD1      LEU  45  -1.265  -9.149  -9.669
  316   2HD1  LEU  45          2HD1      LEU  45  -2.519  -8.333  -8.735
  317   3HD1  LEU  45          3HD1      LEU  45  -2.943  -9.206 -10.205
  318   1HD2  LEU  45          1HD2      LEU  45  -1.985 -12.400  -9.304
  319   2HD2  LEU  45          2HD2      LEU  45  -0.892 -11.804  -8.056
  320   3HD2  LEU  45          3HD2      LEU  45  -0.827 -11.127  -9.682
  321    HA   PRO  46           HA       PRO  46  -0.298 -11.796  -2.778
  322   1HB   PRO  46          2HB       PRO  46   2.353 -11.803  -3.458
  323   2HB   PRO  46          1HB       PRO  46   1.345 -13.261  -3.498
  324   1HG   PRO  46          2HG       PRO  46   2.290 -11.560  -5.718
  325   2HG   PRO  46          1HG       PRO  46   1.987 -13.300  -5.675
  326   1HD   PRO  46          2HD       PRO  46   0.294 -11.408  -6.777
  327   2HD   PRO  46          1HD       PRO  46  -0.178 -13.050  -6.305
  328    H    VAL  47           H        VAL  47   1.256 -10.237  -1.626
  329    HA   VAL  47           HA       VAL  47   0.619  -7.515  -2.288
  330    HB   VAL  47           HB       VAL  47   2.442  -8.935  -0.333
  331   1HG1  VAL  47          1HG1      VAL  47   3.401  -6.728  -0.797
  332   2HG1  VAL  47          2HG1      VAL  47   2.666  -6.746   0.807
  333   3HG1  VAL  47          3HG1      VAL  47   1.827  -5.978  -0.539
  334   1HG2  VAL  47          1HG2      VAL  47   0.719  -8.210   1.280
  335   2HG2  VAL  47          2HG2      VAL  47  -0.001  -9.167  -0.015
  336   3HG2  VAL  47          3HG2      VAL  47  -0.164  -7.411  -0.019
  337    H    ASP  48           H        ASP  48   2.872  -9.627  -3.608
  338    HA   ASP  48           HA       ASP  48   5.073  -7.744  -3.936
  339   1HB   ASP  48          2HB       ASP  48   5.234 -10.266  -3.791
  340   2HB   ASP  48          1HB       ASP  48   4.457 -10.346  -5.373
  341    H    ILE  49           H        ILE  49   2.265  -8.853  -5.746
  342    HA   ILE  49           HA       ILE  49   3.010  -7.435  -8.203
  343    HB   ILE  49           HB       ILE  49   0.269  -8.418  -7.394
  344   1HG1  ILE  49          2HG1      ILE  49   1.809 -10.228  -6.857
  345   2HG1  ILE  49          1HG1      ILE  49   0.944 -10.628  -8.340
  346   1HG2  ILE  49          1HG2      ILE  49   0.583  -9.090  -9.975
  347   2HG2  ILE  49          2HG2      ILE  49   1.729  -7.749  -9.903
  348   3HG2  ILE  49          3HG2      ILE  49   0.037  -7.486  -9.481
  349   1HD1  ILE  49          1HD1      ILE  49   3.411 -11.058  -8.458
  350   2HD1  ILE  49          2HD1      ILE  49   3.668  -9.319  -8.279
  351   3HD1  ILE  49          3HD1      ILE  49   2.817  -9.948  -9.696
  352    H    LEU  50           H        LEU  50   0.765  -7.051  -5.505
  353    HA   LEU  50           HA       LEU  50  -0.461  -4.625  -6.390
  354   1HB   LEU  50          2HB       LEU  50   0.066  -5.502  -3.542
  355   2HB   LEU  50          1HB       LEU  50  -1.283  -4.543  -4.149
  356    HG   LEU  50           HG       LEU  50  -0.756  -7.475  -4.637
  357   1HD1  LEU  50          1HD1      LEU  50  -1.952  -6.529  -2.528
  358   2HD1  LEU  50          2HD1      LEU  50  -2.713  -7.855  -3.405
  359   3HD1  LEU  50          3HD1      LEU  50  -3.288  -6.203  -3.632
  360   1HD2  LEU  50          1HD2      LEU  50  -1.777  -7.240  -6.634
  361   2HD2  LEU  50          2HD2      LEU  50  -2.078  -5.530  -6.329
  362   3HD2  LEU  50          3HD2      LEU  50  -3.226  -6.741  -5.762
  363    H    GLY  51           H        GLY  51   2.565  -5.329  -4.648
  364   1HA   GLY  51          2HA       GLY  51   3.042  -2.544  -3.944
  365   2HA   GLY  51          1HA       GLY  51   4.247  -3.835  -3.919
  366    H    ARG  52           H        ARG  52   3.262  -4.442  -6.763
  367    HA   ARG  52           HA       ARG  52   5.129  -2.566  -8.110
  368   1HB   ARG  52          2HB       ARG  52   5.171  -5.171  -8.081
  369   2HB   ARG  52          1HB       ARG  52   3.837  -5.049  -9.227
  370   1HG   ARG  52          2HG       ARG  52   5.328  -4.733 -10.870
  371   2HG   ARG  52          1HG       ARG  52   5.817  -3.224 -10.098
  372   1HD   ARG  52          2HD       ARG  52   7.008  -5.982  -9.700
  373   2HD   ARG  52          1HD       ARG  52   7.825  -4.499 -10.235
  374    HE   ARG  52           HE       ARG  52   7.163  -3.588  -7.903
  375   1HH1  ARG  52          1HH2      ARG  52   9.409  -5.799  -8.250
  376   2HH1  ARG  52          2HH2      ARG  52   9.122  -6.703  -6.801
  377   1HH2  ARG  52          2HH1      ARG  52   6.044  -5.240  -6.177
  378   2HH2  ARG  52          1HH1      ARG  52   7.220  -6.388  -5.629
  379    H    VAL  53           H        VAL  53   1.748  -3.672  -8.120
  380    HA   VAL  53           HA       VAL  53   1.099  -2.267 -10.604
  381    HB   VAL  53           HB       VAL  53  -0.455  -3.551  -8.345
  382   1HG1  VAL  53          1HG1      VAL  53  -2.002  -2.950 -10.746
  383   2HG1  VAL  53          2HG1      VAL  53  -1.447  -1.485  -9.942
  384   3HG1  VAL  53          3HG1      VAL  53  -2.409  -2.665  -9.054
  385   1HG2  VAL  53          1HG2      VAL  53  -0.679  -5.355  -9.776
  386   2HG2  VAL  53          2HG2      VAL  53   0.859  -4.726 -10.363
  387   3HG2  VAL  53          3HG2      VAL  53  -0.634  -4.349 -11.227
  388    H    TRP  54           H        TRP  54   0.988  -1.573  -7.136
  389    HA   TRP  54           HA       TRP  54  -0.468   0.923  -7.372
  390   1HB   TRP  54          2HB       TRP  54  -0.436  -0.079  -5.225
  391   2HB   TRP  54          1HB       TRP  54   1.300  -0.386  -5.304
  392    HD1  TRP  54           HD1      TRP  54   2.910   1.849  -5.268
  393    HE1  TRP  54           HE1      TRP  54   2.591   4.078  -4.055
  394    HE3  TRP  54           HE3      TRP  54  -2.087   1.581  -4.248
  395    HZ2  TRP  54           HZ2      TRP  54   0.495   5.560  -2.764
  396    HZ3  TRP  54           HZ3      TRP  54  -3.220   3.421  -3.005
  397    HH2  TRP  54           HH2      TRP  54  -1.934   5.395  -2.273
  398    H    GLU  55           H        GLU  55   3.030   0.122  -7.032
  399    HA   GLU  55           HA       GLU  55   3.976   2.792  -7.042
  400   1HB   GLU  55          2HB       GLU  55   5.158   0.195  -8.033
  401   2HB   GLU  55          1HB       GLU  55   6.085   1.684  -7.855
  402   1HG   GLU  55          2HG       GLU  55   4.458   0.844  -5.517
  403   2HG   GLU  55          1HG       GLU  55   5.888  -0.126  -5.879
  404    H    LEU  56           H        LEU  56   3.837   0.558  -9.844
  405    HA   LEU  56           HA       LEU  56   4.460   2.557 -11.793
  406   1HB   LEU  56          2HB       LEU  56   2.824  -0.002 -11.953
  407   2HB   LEU  56          1HB       LEU  56   3.413   0.887 -13.357
  408    HG   LEU  56           HG       LEU  56   5.427   0.204 -11.280
  409   1HD1  LEU  56          1HD1      LEU  56   5.253  -2.037 -11.415
  410   2HD1  LEU  56          2HD1      LEU  56   5.099  -1.981 -13.171
  411   3HD1  LEU  56          3HD1      LEU  56   3.672  -1.786 -12.154
  412   1HD2  LEU  56          1HD2      LEU  56   5.448   1.213 -13.869
  413   2HD2  LEU  56          2HD2      LEU  56   5.910  -0.472 -14.101
  414   3HD2  LEU  56          3HD2      LEU  56   6.851   0.560 -13.025
  415    H    SER  57           H        SER  57   1.675   1.974  -9.884
  416    HA   SER  57           HA       SER  57  -0.222   3.384 -11.662
  417   1HB   SER  57          2HB       SER  57  -1.216   1.624 -10.489
  418   2HB   SER  57          1HB       SER  57  -0.237   1.904  -9.051
  419    HG   SER  57           HG       SER  57  -2.113   2.774  -8.486
  420    H    ASP  58           H        ASP  58   1.623   3.875  -8.686
  421    HA   ASP  58           HA       ASP  58   0.422   6.428  -7.992
  422   1HB   ASP  58          2HB       ASP  58   2.191   4.490  -6.909
  423   2HB   ASP  58          1HB       ASP  58   3.076   6.015  -6.942
  424    H    ILE  59           H        ILE  59   0.758   7.165 -10.390
  425    HA   ILE  59           HA       ILE  59   3.110   7.727 -11.690
  426    HB   ILE  59           HB       ILE  59   0.748   9.565 -11.194
  427   1HG1  ILE  59          2HG1      ILE  59   0.143   7.359 -12.134
  428   2HG1  ILE  59          1HG1      ILE  59  -0.079   8.633 -13.331
  429   1HG2  ILE  59          1HG2      ILE  59   2.716   9.584 -13.494
  430   2HG2  ILE  59          2HG2      ILE  59   2.808  10.679 -12.116
  431   3HG2  ILE  59          3HG2      ILE  59   1.415  10.737 -13.197
  432   1HD1  ILE  59          1HD1      ILE  59   1.046   6.671 -14.318
  433   2HD1  ILE  59          2HD1      ILE  59   2.340   6.815 -13.127
  434   3HD1  ILE  59          3HD1      ILE  59   2.105   8.082 -14.332
  435    H    ASP  60           H        ASP  60   1.921   9.333  -8.764
  436    HA   ASP  60           HA       ASP  60   4.362  11.068  -8.753
  437   1HB   ASP  60          2HB       ASP  60   2.999  12.380  -7.108
  438   2HB   ASP  60          1HB       ASP  60   2.200  12.207  -8.672
  439    H    HIS  61           H        HIS  61   2.667   8.531  -7.035
  440    HA   HIS  61           HA       HIS  61   3.447   7.128  -5.285
  441   1HB   HIS  61          2HB       HIS  61   5.973   8.776  -5.238
  442   2HB   HIS  61          1HB       HIS  61   5.778   7.050  -4.944
  443    HD1  HIS  61           HD1      HIS  61   5.054   5.608  -7.147
  444    HD2  HIS  61           HD2      HIS  61   6.655   9.392  -7.853
  445    HE1  HIS  61           HE1      HIS  61   5.747   5.650  -9.583
  446    H    ASP  62           H        ASP  62   1.885   9.473  -4.722
  447    HA   ASP  62           HA       ASP  62   3.129  10.760  -2.365
  448   1HB   ASP  62          2HB       ASP  62   1.269  12.251  -2.529
  449   2HB   ASP  62          1HB       ASP  62   1.706  11.872  -4.195
  450    H    GLY  63           H        GLY  63   1.519   7.893  -2.933
  451   1HA   GLY  63          2HA       GLY  63   0.993   6.352  -1.140
  452   2HA   GLY  63          1HA       GLY  63   0.691   7.730  -0.084
  453    H    MET  64           H        MET  64  -0.629   7.890  -3.276
  454    HA   MET  64           HA       MET  64  -3.220   6.759  -2.458
  455   1HB   MET  64          2HB       MET  64  -3.274   9.589  -3.433
  456   2HB   MET  64          1HB       MET  64  -4.405   8.751  -2.374
  457   1HG   MET  64          2HG       MET  64  -2.653   8.768  -0.588
  458   2HG   MET  64          1HG       MET  64  -1.646   9.756  -1.645
  459   1HE   MET  64          1HE       MET  64  -4.772   9.102   0.009
  460   2HE   MET  64          2HE       MET  64  -5.799  10.180  -0.931
  461   3HE   MET  64          3HE       MET  64  -5.338  10.625   0.709
  462    H    LEU  65           H        LEU  65  -4.765   6.732  -4.328
  463    HA   LEU  65           HA       LEU  65  -3.308   6.867  -6.952
  464   1HB   LEU  65          2HB       LEU  65  -5.413   5.005  -5.837
  465   2HB   LEU  65          1HB       LEU  65  -5.000   5.047  -7.550
  466    HG   LEU  65           HG       LEU  65  -3.120   4.440  -5.256
  467   1HD1  LEU  65          1HD1      LEU  65  -3.705   2.663  -7.601
  468   2HD1  LEU  65          2HD1      LEU  65  -4.860   2.741  -6.275
  469   3HD1  LEU  65          3HD1      LEU  65  -3.200   2.226  -5.969
  470   1HD2  LEU  65          1HD2      LEU  65  -1.870   5.677  -6.897
  471   2HD2  LEU  65          2HD2      LEU  65  -2.653   4.824  -8.227
  472   3HD2  LEU  65          3HD2      LEU  65  -1.512   3.974  -7.182
  473    H    ASP  66           H        ASP  66  -4.062   8.774  -7.905
  474    HA   ASP  66           HA       ASP  66  -6.736   9.808  -7.470
  475   1HB   ASP  66          2HB       ASP  66  -6.012  11.543  -8.914
  476   2HB   ASP  66          1HB       ASP  66  -4.529  11.001  -8.132
  477    H    ARG  67           H        ARG  67  -8.298  10.110  -9.314
  478    HA   ARG  67           HA       ARG  67  -9.377   7.825 -10.360
  479   1HB   ARG  67          2HB       ARG  67 -10.304   9.308 -12.137
  480   2HB   ARG  67          1HB       ARG  67 -10.360  10.050 -10.538
  481   1HG   ARG  67          2HG       ARG  67  -8.208  11.216 -11.057
  482   2HG   ARG  67          1HG       ARG  67  -8.294  10.564 -12.693
  483   1HD   ARG  67          2HD       ARG  67  -9.740  12.194 -13.317
  484   2HD   ARG  67          1HD       ARG  67 -10.820  11.805 -11.963
  485    HE   ARG  67           HE       ARG  67  -9.780  13.520 -10.702
  486   1HH1  ARG  67          1HH2      ARG  67  -8.681  13.631 -13.858
  487   2HH1  ARG  67          2HH2      ARG  67  -7.214  14.483 -13.512
  488   1HH2  ARG  67          2HH1      ARG  67  -7.563  14.219 -10.070
  489   2HH2  ARG  67          1HH1      ARG  67  -6.581  14.817 -11.366
  490    H    ASP  68           H        ASP  68  -6.807   9.711 -11.963
  491    HA   ASP  68           HA       ASP  68  -6.665   7.885 -14.236
  492   1HB   ASP  68          2HB       ASP  68  -5.590  10.433 -13.346
  493   2HB   ASP  68          1HB       ASP  68  -4.329   9.438 -14.075
  494    H    GLU  69           H        GLU  69  -4.897   8.287 -11.198
  495    HA   GLU  69           HA       GLU  69  -2.771   6.425 -11.911
  496   1HB   GLU  69          2HB       GLU  69  -3.785   7.842  -9.469
  497   2HB   GLU  69          1HB       GLU  69  -2.596   6.552  -9.278
  498   1HG   GLU  69          2HG       GLU  69  -1.044   7.670 -10.736
  499   2HG   GLU  69          1HG       GLU  69  -2.253   8.871 -11.185
  500    H    PHE  70           H        PHE  70  -5.768   6.241 -10.008
  501    HA   PHE  70           HA       PHE  70  -5.508   3.508  -9.181
  502   1HB   PHE  70          2HB       PHE  70  -7.081   5.371  -8.380
  503   2HB   PHE  70          1HB       PHE  70  -8.046   5.046  -9.818
  504    HD1  PHE  70           HD1      PHE  70  -7.001   3.789  -6.529
  505    HD2  PHE  70           HD2      PHE  70  -9.202   2.899 -10.108
  506    HE1  PHE  70           HE1      PHE  70  -8.112   1.897  -5.374
  507    HE2  PHE  70           HE2      PHE  70 -10.316   1.012  -8.953
  508    HZ   PHE  70           HZ       PHE  70  -9.771   0.510  -6.586
  509    H    ALA  71           H        ALA  71  -6.146   4.979 -12.233
  510    HA   ALA  71           HA       ALA  71  -7.642   2.735 -13.394
  511   1HB   ALA  71          1HB       ALA  71  -6.076   4.846 -14.881
  512   2HB   ALA  71          2HB       ALA  71  -7.550   5.277 -14.011
  513   3HB   ALA  71          3HB       ALA  71  -7.615   4.104 -15.327
  514    H    VAL  72           H        VAL  72  -4.327   3.974 -13.541
  515    HA   VAL  72           HA       VAL  72  -3.228   2.045 -15.329
  516    HB   VAL  72           HB       VAL  72  -1.966   3.527 -12.992
  517   1HG1  VAL  72          1HG1      VAL  72  -0.902   2.028 -15.344
  518   2HG1  VAL  72          2HG1      VAL  72  -0.241   2.183 -13.718
  519   3HG1  VAL  72          3HG1      VAL  72  -0.066   3.505 -14.872
  520   1HG2  VAL  72          1HG2      VAL  72  -3.142   5.130 -14.356
  521   2HG2  VAL  72          2HG2      VAL  72  -2.568   4.371 -15.840
  522   3HG2  VAL  72          3HG2      VAL  72  -1.436   5.236 -14.798
  523    H    ALA  73           H        ALA  73  -4.008   1.937 -11.921
  524    HA   ALA  73           HA       ALA  73  -2.467  -0.535 -11.426
  525   1HB   ALA  73          1HB       ALA  73  -2.824   0.033  -9.215
  526   2HB   ALA  73          2HB       ALA  73  -4.455   0.633  -9.525
  527   3HB   ALA  73          3HB       ALA  73  -3.055   1.619  -9.953
  528    H    MET  74           H        MET  74  -5.553   0.208 -12.678
  529    HA   MET  74           HA       MET  74  -6.932  -2.112 -11.493
  530   1HB   MET  74          2HB       MET  74  -7.590  -0.045 -13.614
  531   2HB   MET  74          1HB       MET  74  -8.715  -1.317 -13.139
  532   1HG   MET  74          2HG       MET  74  -7.499   0.256 -10.932
  533   2HG   MET  74          1HG       MET  74  -8.671   1.103 -11.943
  534   1HE   MET  74          1HE       MET  74  -8.607  -2.808 -10.305
  535   2HE   MET  74          2HE       MET  74  -9.047  -1.977  -8.816
  536   3HE   MET  74          3HE       MET  74  -7.638  -1.443  -9.730
  537    H    PHE  75           H        PHE  75  -5.779  -1.182 -14.744
  538    HA   PHE  75           HA       PHE  75  -6.394  -3.807 -15.854
  539   1HB   PHE  75          2HB       PHE  75  -5.713  -2.815 -17.857
  540   2HB   PHE  75          1HB       PHE  75  -6.134  -1.384 -16.919
  541    HD1  PHE  75           HD1      PHE  75  -3.417  -3.340 -18.394
  542    HD2  PHE  75           HD2      PHE  75  -4.383   0.012 -15.892
  543    HE1  PHE  75           HE1      PHE  75  -1.093  -2.505 -18.618
  544    HE2  PHE  75           HE2      PHE  75  -2.067   0.844 -16.117
  545    HZ   PHE  75           HZ       PHE  75  -0.415  -0.408 -17.479
  546    H    LEU  76           H        LEU  76  -3.803  -2.339 -14.105
  547    HA   LEU  76           HA       LEU  76  -1.707  -4.208 -14.892
  548   1HB   LEU  76          2HB       LEU  76  -2.149  -1.914 -13.090
  549   2HB   LEU  76          1HB       LEU  76  -0.981  -3.089 -12.492
  550    HG   LEU  76           HG       LEU  76  -0.890  -1.900 -15.277
  551   1HD1  LEU  76          1HD1      LEU  76   1.078  -1.198 -13.136
  552   2HD1  LEU  76          2HD1      LEU  76  -0.492  -0.397 -13.113
  553   3HD1  LEU  76          3HD1      LEU  76   0.552  -0.252 -14.528
  554   1HD2  LEU  76          1HD2      LEU  76   0.744  -3.409 -15.638
  555   2HD2  LEU  76          2HD2      LEU  76   0.383  -4.131 -14.069
  556   3HD2  LEU  76          3HD2      LEU  76   1.603  -2.865 -14.198
  557    H    VAL  77           H        VAL  77  -4.371  -4.204 -12.698
  558    HA   VAL  77           HA       VAL  77  -3.271  -6.375 -11.013
  559    HB   VAL  77           HB       VAL  77  -5.775  -4.659 -11.064
  560   1HG1  VAL  77          1HG1      VAL  77  -5.237  -7.232  -9.641
  561   2HG1  VAL  77          2HG1      VAL  77  -6.769  -6.547 -10.187
  562   3HG1  VAL  77          3HG1      VAL  77  -6.010  -5.946  -8.713
  563   1HG2  VAL  77          1HG2      VAL  77  -3.447  -3.938 -10.145
  564   2HG2  VAL  77          2HG2      VAL  77  -3.811  -5.020  -8.804
  565   3HG2  VAL  77          3HG2      VAL  77  -4.868  -3.651  -9.145
  566    H    TYR  78           H        TYR  78  -5.910  -5.851 -13.352
  567    HA   TYR  78           HA       TYR  78  -6.918  -8.550 -13.157
  568   1HB   TYR  78          2HB       TYR  78  -7.304  -6.113 -14.808
  569   2HB   TYR  78          1HB       TYR  78  -7.814  -7.636 -15.540
  570    HD1  TYR  78           HD1      TYR  78  -8.923  -4.984 -13.576
  571    HD2  TYR  78           HD2      TYR  78  -9.038  -9.275 -13.742
  572    HE1  TYR  78           HE1      TYR  78 -10.957  -4.982 -12.157
  573    HE2  TYR  78           HE2      TYR  78 -11.075  -9.273 -12.324
  574    HH   TYR  78           HH       TYR  78 -12.698  -7.985 -11.442
  575    H    CYS  79           H        CYS  79  -4.298  -7.086 -14.946
  576    HA   CYS  79           HA       CYS  79  -4.148  -9.241 -16.934
  577   1HB   CYS  79          2HB       CYS  79  -3.105  -6.619 -16.519
  578   2HB   CYS  79          1HB       CYS  79  -1.728  -7.710 -16.658
  579    HG   CYS  79           HG       CYS  79  -3.034  -6.771 -19.015
  580    H    ALA  80           H        ALA  80  -3.141  -8.737 -13.693
  581    HA   ALA  80           HA       ALA  80  -0.884 -10.639 -13.848
  582   1HB   ALA  80          1HB       ALA  80  -0.456  -8.932 -12.322
  583   2HB   ALA  80          2HB       ALA  80  -1.152 -10.141 -11.245
  584   3HB   ALA  80          3HB       ALA  80  -2.147  -8.809 -11.837
  585    H    LEU  81           H        LEU  81  -4.259 -10.714 -13.495
  586    HA   LEU  81           HA       LEU  81  -4.331 -13.147 -11.813
  587   1HB   LEU  81          2HB       LEU  81  -6.622 -11.865 -13.295
  588   2HB   LEU  81          1HB       LEU  81  -6.662 -12.731 -11.762
  589    HG   LEU  81           HG       LEU  81  -5.807  -9.921 -12.337
  590   1HD1  LEU  81          1HD1      LEU  81  -7.329  -9.386 -10.673
  591   2HD1  LEU  81          2HD1      LEU  81  -7.105 -10.920  -9.833
  592   3HD1  LEU  81          3HD1      LEU  81  -8.058 -10.858 -11.315
  593   1HD2  LEU  81          1HD2      LEU  81  -4.907 -10.146  -9.824
  594   2HD2  LEU  81          2HD2      LEU  81  -3.852 -10.431 -11.210
  595   3HD2  LEU  81          3HD2      LEU  81  -4.577 -11.794 -10.358
  596    H    GLU  82           H        GLU  82  -5.088 -12.142 -15.133
  597    HA   GLU  82           HA       GLU  82  -5.904 -14.756 -16.024
  598   1HB   GLU  82          2HB       GLU  82  -4.946 -12.234 -17.395
  599   2HB   GLU  82          1HB       GLU  82  -5.543 -13.636 -18.282
  600   1HG   GLU  82          2HG       GLU  82  -7.116 -12.186 -16.134
  601   2HG   GLU  82          1HG       GLU  82  -7.311 -11.910 -17.865
  602    H    LYS  83           H        LYS  83  -2.905 -12.894 -16.561
  603    HA   LYS  83           HA       LYS  83  -1.150 -15.114 -16.168
  604   1HB   LYS  83          2HB       LYS  83  -2.271 -16.075 -18.085
  605   2HB   LYS  83          1HB       LYS  83  -2.073 -14.585 -19.005
  606   1HG   LYS  83          2HG       LYS  83   0.056 -15.097 -19.585
  607   2HG   LYS  83          1HG       LYS  83   0.456 -15.646 -17.957
  608   1HD   LYS  83          2HD       LYS  83  -1.416 -17.391 -19.440
  609   2HD   LYS  83          1HD       LYS  83   0.219 -17.315 -20.101
  610   1HE   LYS  83          2HE       LYS  83   1.193 -18.063 -18.046
  611   2HE   LYS  83          1HE       LYS  83  -0.326 -17.821 -17.160
  612   1HZ   LYS  83          1HZ       LYS  83  -1.376 -19.443 -18.654
  613   2HZ   LYS  83          2HZ       LYS  83  -0.109 -20.137 -17.760
  614   3HZ   LYS  83          3HZ       LYS  83   0.123 -19.731 -19.393
  615    H    GLU  84           H        GLU  84  -1.751 -12.002 -17.680
  616    HA   GLU  84           HA       GLU  84   0.870 -11.347 -18.548
  617   1HB   GLU  84          2HB       GLU  84  -1.524 -10.199 -18.692
  618   2HB   GLU  84          1HB       GLU  84  -0.922  -9.301 -17.299
  619   1HG   GLU  84          2HG       GLU  84   0.950  -9.578 -19.589
  620   2HG   GLU  84          1HG       GLU  84  -0.446  -8.531 -19.846
  621    HA   PRO  85           HA       PRO  85   2.780 -11.115 -14.513
  622   1HB   PRO  85          2HB       PRO  85   5.303 -10.588 -15.438
  623   2HB   PRO  85          1HB       PRO  85   4.595 -12.215 -15.442
  624   1HG   PRO  85          2HG       PRO  85   4.919 -10.286 -17.675
  625   2HG   PRO  85          1HG       PRO  85   5.034 -12.051 -17.680
  626   1HD   PRO  85          2HD       PRO  85   2.854 -10.634 -18.571
  627   2HD   PRO  85          1HD       PRO  85   2.798 -12.320 -18.013
  628    H    VAL  86           H        VAL  86   3.742  -9.319 -13.256
  629    HA   VAL  86           HA       VAL  86   3.269  -6.662 -14.564
  630    HB   VAL  86           HB       VAL  86   3.155  -7.592 -11.680
  631   1HG1  VAL  86          1HG1      VAL  86   3.904  -5.185 -12.078
  632   2HG1  VAL  86          2HG1      VAL  86   2.448  -5.381 -11.102
  633   3HG1  VAL  86          3HG1      VAL  86   2.316  -4.907 -12.796
  634   1HG2  VAL  86          1HG2      VAL  86   1.089  -6.956 -13.791
  635   2HG2  VAL  86          2HG2      VAL  86   0.695  -6.929 -12.072
  636   3HG2  VAL  86          3HG2      VAL  86   1.251  -8.424 -12.826
  637    HA   PRO  87           HA       PRO  87   7.627  -6.165 -13.717
  638   1HB   PRO  87          2HB       PRO  87   7.991  -4.121 -15.500
  639   2HB   PRO  87          1HB       PRO  87   7.892  -5.821 -15.995
  640   1HG   PRO  87          2HG       PRO  87   5.963  -3.664 -16.376
  641   2HG   PRO  87          1HG       PRO  87   6.086  -5.224 -17.197
  642   1HD   PRO  87          2HD       PRO  87   4.309  -4.455 -15.066
  643   2HD   PRO  87          1HD       PRO  87   4.372  -5.997 -15.951
  644    H    MET  88           H        MET  88   8.890  -3.823 -13.457
  645    HA   MET  88           HA       MET  88   7.152  -2.195 -11.621
  646   1HB   MET  88          2HB       MET  88   9.872  -1.734 -11.091
  647   2HB   MET  88          1HB       MET  88   8.746  -2.646 -10.090
  648   1HG   MET  88          2HG       MET  88   9.316  -4.710 -11.306
  649   2HG   MET  88          1HG       MET  88  10.395  -3.801 -12.363
  650   1HE   MET  88          1HE       MET  88  12.649  -6.035 -10.350
  651   2HE   MET  88          2HE       MET  88  13.011  -4.892 -11.639
  652   3HE   MET  88          3HE       MET  88  11.543  -5.862 -11.719
  653    H    SER  89           H        SER  89   8.297  -2.044 -14.621
  654    HA   SER  89           HA       SER  89   9.442   0.697 -14.389
  655   1HB   SER  89          2HB       SER  89   9.402  -1.426 -16.523
  656   2HB   SER  89          1HB       SER  89  10.004   0.202 -16.821
  657    HG   SER  89           HG       SER  89  10.917  -1.177 -14.566
  658    H    LEU  90           H        LEU  90   7.765   2.114 -14.347
  659    HA   LEU  90           HA       LEU  90   5.235   1.929 -15.590
  660   1HB   LEU  90          2HB       LEU  90   6.968   3.928 -14.381
  661   2HB   LEU  90          1HB       LEU  90   6.039   4.622 -15.711
  662    HG   LEU  90           HG       LEU  90   4.793   2.934 -13.537
  663   1HD1  LEU  90          1HD1      LEU  90   5.876   5.508 -13.237
  664   2HD1  LEU  90          2HD1      LEU  90   4.729   4.717 -12.157
  665   3HD1  LEU  90          3HD1      LEU  90   4.145   5.763 -13.450
  666   1HD2  LEU  90          1HD2      LEU  90   3.243   2.958 -15.239
  667   2HD2  LEU  90          2HD2      LEU  90   3.846   4.474 -15.910
  668   3HD2  LEU  90          3HD2      LEU  90   2.824   4.490 -14.471
  669    HA   PRO  91           HA       PRO  91   6.916   2.031 -19.783
  670   1HB   PRO  91          2HB       PRO  91   4.607   1.169 -20.985
  671   2HB   PRO  91          1HB       PRO  91   5.789   0.074 -20.240
  672   1HG   PRO  91          2HG       PRO  91   3.198   1.060 -19.180
  673   2HG   PRO  91          1HG       PRO  91   3.954  -0.528 -19.012
  674   1HD   PRO  91          2HD       PRO  91   3.956   1.372 -17.044
  675   2HD   PRO  91          1HD       PRO  91   5.199   0.113 -17.205
  676    HA   PRO  92           HA       PRO  92   5.401   6.010 -20.879
  677   1HB   PRO  92          2HB       PRO  92   6.137   6.027 -23.506
  678   2HB   PRO  92          1HB       PRO  92   7.303   6.193 -22.178
  679   1HG   PRO  92          2HG       PRO  92   6.603   3.791 -23.797
  680   2HG   PRO  92          1HG       PRO  92   8.190   4.349 -23.242
  681   1HD   PRO  92          2HD       PRO  92   6.835   2.345 -22.031
  682   2HD   PRO  92          1HD       PRO  92   7.921   3.441 -21.147
  683    H    ALA  93           H        ALA  93   4.068   3.149 -22.020
  684    HA   ALA  93           HA       ALA  93   2.179   4.415 -23.924
  685   1HB   ALA  93          1HB       ALA  93   2.459   2.336 -24.783
  686   2HB   ALA  93          2HB       ALA  93   1.502   1.729 -23.432
  687   3HB   ALA  93          3HB       ALA  93   3.260   1.783 -23.311
  688    H    LEU  94           H        LEU  94   2.367   3.249 -20.656
  689    HA   LEU  94           HA       LEU  94  -0.582   3.528 -20.249
  690   1HB   LEU  94          2HB       LEU  94   0.168   1.507 -19.361
  691   2HB   LEU  94          1HB       LEU  94   1.759   2.149 -18.992
  692    HG   LEU  94           HG       LEU  94   0.279   1.605 -16.997
  693   1HD1  LEU  94          1HD1      LEU  94   1.491   3.115 -15.820
  694   2HD1  LEU  94          2HD1      LEU  94   0.850   4.482 -16.732
  695   3HD1  LEU  94          3HD1      LEU  94   2.187   3.535 -17.387
  696   1HD2  LEU  94          1HD2      LEU  94  -1.486   3.295 -18.466
  697   2HD2  LEU  94          2HD2      LEU  94  -1.102   4.104 -16.945
  698   3HD2  LEU  94          3HD2      LEU  94  -1.786   2.481 -16.932
  699    H    VAL  95           H        VAL  95   2.423   5.143 -19.718
  700    HA   VAL  95           HA       VAL  95   1.731   6.672 -17.373
  701    HB   VAL  95           HB       VAL  95   3.660   7.131 -19.669
  702   1HG1  VAL  95          1HG1      VAL  95   4.411   9.021 -18.650
  703   2HG1  VAL  95          2HG1      VAL  95   4.211   8.339 -17.035
  704   3HG1  VAL  95          3HG1      VAL  95   2.827   9.037 -17.875
  705   1HG2  VAL  95          1HG2      VAL  95   5.108   5.780 -18.545
  706   2HG2  VAL  95          2HG2      VAL  95   3.660   5.164 -17.747
  707   3HG2  VAL  95          3HG2      VAL  95   4.627   6.421 -16.973
  708    HA   PRO  96           HA       PRO  96  -1.086   9.504 -19.266
  709   1HB   PRO  96          2HB       PRO  96  -1.156  11.338 -17.234
  710   2HB   PRO  96          1HB       PRO  96  -1.987   9.772 -17.148
  711   1HG   PRO  96          2HG       PRO  96   0.588  10.616 -15.929
  712   2HG   PRO  96          1HG       PRO  96  -0.675   9.559 -15.282
  713   1HD   PRO  96          2HD       PRO  96   1.674   8.656 -16.366
  714   2HD   PRO  96          1HD       PRO  96   0.172   7.706 -16.311
  715    HA   PRO  97           HA       PRO  97   1.399  12.704 -20.973
  716   1HB   PRO  97          2HB       PRO  97  -0.393  14.747 -21.285
  717   2HB   PRO  97          1HB       PRO  97  -0.413  13.286 -22.293
  718   1HG   PRO  97          2HG       PRO  97  -2.126  14.007 -19.971
  719   2HG   PRO  97          1HG       PRO  97  -2.551  13.165 -21.469
  720   1HD   PRO  97          2HD       PRO  97  -2.140  11.901 -19.079
  721   2HD   PRO  97          1HD       PRO  97  -1.900  11.129 -20.662
  722    H    SER  98           H        SER  98  -0.163  13.170 -17.938
  723    HA   SER  98           HA       SER  98   0.768  15.830 -17.331
  724   1HB   SER  98          2HB       SER  98  -0.696  15.325 -15.677
  725   2HB   SER  98          1HB       SER  98  -0.636  13.616 -16.100
  726    HG   SER  98           HG       SER  98   0.688  15.024 -14.132
  727    H    LYS  99           H        LYS  99   2.354  12.781 -17.535
  728    HA   LYS  99           HA       LYS  99   4.580  13.593 -15.754
  729   1HB   LYS  99          2HB       LYS  99   3.371  11.216 -16.345
  730   2HB   LYS  99          1HB       LYS  99   4.746  11.165 -17.450
  731   1HG   LYS  99          2HG       LYS  99   5.849  12.109 -15.078
  732   2HG   LYS  99          1HG       LYS  99   4.695  10.888 -14.542
  733   1HD   LYS  99          2HD       LYS  99   5.858   9.641 -16.693
  734   2HD   LYS  99          1HD       LYS  99   7.213  10.561 -16.037
  735   1HE   LYS  99          2HE       LYS  99   7.153   8.379 -14.933
  736   2HE   LYS  99          1HE       LYS  99   6.647   9.608 -13.756
  737   1HZ   LYS  99          1HZ       LYS  99   4.848   8.282 -13.566
  738   2HZ   LYS  99          2HZ       LYS  99   5.066   7.563 -15.090
  739   3HZ   LYS  99          3HZ       LYS  99   4.335   9.091 -14.965
  740    H    ARG 100           H        ARG 100   3.673  14.369 -18.824
  741    HA   ARG 100           HA       ARG 100   6.480  14.302 -19.882
  742   1HB   ARG 100          2HB       ARG 100   3.840  14.629 -21.342
  743   2HB   ARG 100          1HB       ARG 100   5.421  14.337 -22.072
  744   1HG   ARG 100          2HG       ARG 100   5.535  12.179 -20.774
  745   2HG   ARG 100          1HG       ARG 100   3.862  12.452 -20.287
  746   1HD   ARG 100          2HD       ARG 100   3.381  12.696 -22.834
  747   2HD   ARG 100          1HD       ARG 100   4.946  11.881 -23.044
  748    HE   ARG 100           HE       ARG 100   2.634  10.725 -21.538
  749   1HH1  ARG 100          1HH2      ARG 100   5.590   9.909 -20.987
  750   2HH1  ARG 100          2HH2      ARG 100   5.671   8.442 -21.905
  751   1HH2  ARG 100          2HH1      ARG 100   2.752   9.076 -23.670
  752   2HH2  ARG 100          1HH1      ARG 100   4.063   7.971 -23.425
  753    H    SER 107           1H       SER 107   7.406   5.802   2.587
  754    HA   SER 107           HA       SER 107   6.106   3.720   3.032
  755   1HB   SER 107          2HB       SER 107   4.393   5.811   4.413
  756   2HB   SER 107          1HB       SER 107   3.922   4.134   4.153
  757    HG   SER 107           HG       SER 107   5.175   3.554   5.744
  758    H    THR 108           H        THR 108   6.184   3.996   0.712
  759    HA   THR 108           HA       THR 108   4.034   5.754  -0.422
  760    HB   THR 108           HB       THR 108   6.488   6.183  -0.941
  761    HG1  THR 108           HG1      THR 108   4.700   6.752  -2.337
  762   1HG2  THR 108          1HG2      THR 108   6.566   3.448  -1.258
  763   2HG2  THR 108          2HG2      THR 108   7.800   4.569  -1.833
  764   3HG2  THR 108          3HG2      THR 108   6.529   4.021  -2.926
  765    H    ASN 109           H        ASN 109   4.968   2.510   0.099
  766    HA   ASN 109           HA       ASN 109   2.907   1.595  -1.863
  767   1HB   ASN 109          2HB       ASN 109   5.404   1.388  -2.536
  768   2HB   ASN 109          1HB       ASN 109   5.493   0.117  -1.314
  769   1HD2  ASN 109          1HD2      ASN 109   2.612   0.688  -3.335
  770   2HD2  ASN 109          2HD2      ASN 109   2.736  -0.751  -4.208
  771    HA   PRO 110           HA       PRO 110   1.810  -0.145   2.144
  772   1HB   PRO 110          2HB       PRO 110  -0.800  -0.660   1.482
  773   2HB   PRO 110          1HB       PRO 110  -0.224   0.936   2.001
  774   1HG   PRO 110          2HG       PRO 110  -0.817  -0.066  -0.722
  775   2HG   PRO 110          1HG       PRO 110  -1.078   1.537  -0.027
  776   1HD   PRO 110          2HD       PRO 110   0.998   0.923  -1.709
  777   2HD   PRO 110          1HD       PRO 110   1.039   2.240  -0.516
  778    H    PHE 111           H        PHE 111   2.236  -1.555  -0.880
  779    HA   PHE 111           HA       PHE 111   1.565  -4.268   0.190
  780   1HB   PHE 111          2HB       PHE 111   2.111  -3.881  -2.689
  781   2HB   PHE 111          1HB       PHE 111   0.925  -4.921  -1.919
  782    HD1  PHE 111           HD1      PHE 111   1.669  -1.306  -2.538
  783    HD2  PHE 111           HD2      PHE 111  -1.336  -4.326  -2.035
  784    HE1  PHE 111           HE1      PHE 111  -0.077   0.345  -3.109
  785    HE2  PHE 111           HE2      PHE 111  -3.069  -2.678  -2.606
  786    HZ   PHE 111           HZ       PHE 111  -2.458  -0.339  -3.139
  787    H    ARG 112           HN       ARG 112   3.683  -2.782  -2.242
  788    HA   ARG 112           HA       ARG 112   6.034  -2.872  -2.510
  789   1HB   ARG 112          2HB       ARG 112   7.120  -3.003  -0.532
  790   2HB   ARG 112          1HB       ARG 112   5.561  -3.351   0.210
  791   1HG   ARG 112          2HG       ARG 112   5.905  -5.733  -0.050
  792   2HG   ARG 112          1HG       ARG 112   7.376  -5.457  -0.977
  793   1HD   ARG 112          2HD       ARG 112   7.674  -4.008   1.454
  794   2HD   ARG 112          1HD       ARG 112   7.110  -5.638   1.879
  795    HE   ARG 112           HE       ARG 112   8.964  -6.452   0.286
  796   1HH1  ARG 112          1HH2      ARG 112   9.393  -4.524   2.928
  797   2HH1  ARG 112          2HH2      ARG 112  10.957  -3.920   2.492
  798   1HH2  ARG 112          1HH1      ARG 112  10.842  -5.203  -0.729
  799   2HH2  ARG 112          2HH1      ARG 112  11.777  -4.305   0.420
  Start of MODEL   15
    1    HA   PRO   6           HA       PRO   6  -2.789   5.139 -27.874
    2   1HB   PRO   6          2HB       PRO   6  -4.975   3.757 -26.978
    3   2HB   PRO   6          1HB       PRO   6  -4.910   4.535 -28.572
    4   1HG   PRO   6          2HG       PRO   6  -4.569   1.674 -27.846
    5   2HG   PRO   6          1HG       PRO   6  -5.349   2.395 -29.261
    6   1HD   PRO   6          2HD       PRO   6  -2.836   1.301 -29.289
    7   2HD   PRO   6          1HD       PRO   6  -3.387   2.556 -30.418
    8    H    TRP   7           H        TRP   7  -3.585   5.081 -25.452
    9    HA   TRP   7           HA       TRP   7  -1.518   4.042 -23.798
   10   1HB   TRP   7          2HB       TRP   7  -2.898   5.918 -23.161
   11   2HB   TRP   7          1HB       TRP   7  -4.366   4.950 -23.284
   12    HD1  TRP   7           HD1      TRP   7  -1.373   3.326 -21.673
   13    HE1  TRP   7           HE1      TRP   7  -1.789   3.078 -19.139
   14    HE3  TRP   7           HE3      TRP   7  -5.613   6.124 -21.211
   15    HZ2  TRP   7           HZ2      TRP   7  -3.688   3.967 -17.171
   16    HZ3  TRP   7           HZ3      TRP   7  -6.701   6.412 -19.007
   17    HH2  TRP   7           HH2      TRP   7  -5.747   5.336 -16.988
   18    H    ALA   8           H        ALA   8  -1.219   2.019 -22.987
   19    HA   ALA   8           HA       ALA   8  -2.323  -0.351 -23.710
   20   1HB   ALA   8          1HB       ALA   8  -2.017  -0.381 -20.848
   21   2HB   ALA   8          2HB       ALA   8  -0.824   0.715 -21.548
   22   3HB   ALA   8          3HB       ALA   8  -0.889  -0.962 -22.081
   23    H    VAL   9           H        VAL   9  -3.801   1.950 -21.501
   24    HA   VAL   9           HA       VAL   9  -6.067   0.099 -20.971
   25    HB   VAL   9           HB       VAL   9  -5.208   2.797 -19.874
   26   1HG1  VAL   9          1HG1      VAL   9  -7.512   2.800 -19.465
   27   2HG1  VAL   9          2HG1      VAL   9  -6.892   2.004 -18.017
   28   3HG1  VAL   9          3HG1      VAL   9  -7.588   1.043 -19.323
   29   1HG2  VAL   9          1HG2      VAL   9  -3.713   0.908 -19.293
   30   2HG2  VAL   9          2HG2      VAL   9  -5.112  -0.019 -18.737
   31   3HG2  VAL   9          3HG2      VAL   9  -4.625   1.440 -17.872
   32    H    LYS  10           H        LYS  10  -7.985   0.349 -22.064
   33    HA   LYS  10           HA       LYS  10  -8.219   2.480 -24.083
   34   1HB   LYS  10          2HB       LYS  10  -9.189  -0.186 -23.551
   35   2HB   LYS  10          1HB       LYS  10 -10.551   0.877 -23.902
   36   1HG   LYS  10          2HG       LYS  10 -10.042   0.705 -26.089
   37   2HG   LYS  10          1HG       LYS  10  -8.543   1.573 -25.758
   38   1HD   LYS  10          2HD       LYS  10  -7.336  -0.288 -26.129
   39   2HD   LYS  10          1HD       LYS  10  -8.268  -1.170 -24.919
   40   1HE   LYS  10          2HE       LYS  10 -10.098  -1.220 -26.859
   41   2HE   LYS  10          1HE       LYS  10  -8.660  -1.049 -27.885
   42   1HZ   LYS  10          1HZ       LYS  10  -7.679  -2.829 -26.331
   43   2HZ   LYS  10          2HZ       LYS  10  -8.766  -3.324 -27.539
   44   3HZ   LYS  10          3HZ       LYS  10  -9.292  -3.167 -25.930
   45    HA   PRO  11           HA       PRO  11 -11.176   5.033 -22.083
   46   1HB   PRO  11          2HB       PRO  11 -13.357   5.100 -23.737
   47   2HB   PRO  11          1HB       PRO  11 -11.827   5.915 -24.121
   48   1HG   PRO  11          2HG       PRO  11 -12.886   3.312 -25.108
   49   2HG   PRO  11          1HG       PRO  11 -12.001   4.573 -25.980
   50   1HD   PRO  11          2HD       PRO  11 -10.839   2.283 -25.100
   51   2HD   PRO  11          1HD       PRO  11  -9.956   3.817 -25.269
   52    H    GLU  12           H        GLU  12 -12.593   1.990 -23.245
   53    HA   GLU  12           HA       GLU  12 -14.827   2.032 -21.375
   54   1HB   GLU  12          2HB       GLU  12 -15.292  -0.107 -22.334
   55   2HB   GLU  12          1HB       GLU  12 -14.580   0.840 -23.639
   56   1HG   GLU  12          2HG       GLU  12 -12.367  -0.169 -23.139
   57   2HG   GLU  12          1HG       GLU  12 -13.122  -1.160 -21.889
   58    H    ASP  13           H        ASP  13 -11.494   1.037 -21.265
   59    HA   ASP  13           HA       ASP  13 -11.803  -0.720 -18.940
   60   1HB   ASP  13          2HB       ASP  13  -9.589   0.395 -20.635
   61   2HB   ASP  13          1HB       ASP  13  -9.190  -0.329 -19.077
   62    H    LYS  14           H        LYS  14 -10.805   2.595 -19.629
   63    HA   LYS  14           HA       LYS  14 -10.014   3.220 -16.912
   64   1HB   LYS  14          2HB       LYS  14  -9.701   4.309 -19.408
   65   2HB   LYS  14          1HB       LYS  14 -10.923   5.377 -18.717
   66   1HG   LYS  14          2HG       LYS  14  -8.570   4.670 -17.017
   67   2HG   LYS  14          1HG       LYS  14  -8.323   5.821 -18.331
   68   1HD   LYS  14          2HD       LYS  14 -10.325   7.103 -17.453
   69   2HD   LYS  14          1HD       LYS  14 -10.292   6.044 -16.042
   70   1HE   LYS  14          2HE       LYS  14  -8.379   7.009 -15.195
   71   2HE   LYS  14          1HE       LYS  14  -7.712   7.339 -16.807
   72   1HZ   LYS  14          1HZ       LYS  14  -8.939   9.224 -17.043
   73   2HZ   LYS  14          2HZ       LYS  14  -8.773   9.248 -15.353
   74   3HZ   LYS  14          3HZ       LYS  14 -10.206   8.673 -16.061
   75    H    ALA  15           H        ALA  15 -13.011   2.931 -18.567
   76    HA   ALA  15           HA       ALA  15 -14.542   4.781 -16.899
   77   1HB   ALA  15          1HB       ALA  15 -16.434   3.411 -18.043
   78   2HB   ALA  15          2HB       ALA  15 -15.131   2.608 -18.918
   79   3HB   ALA  15          3HB       ALA  15 -15.364   4.348 -19.087
   80    H    LYS  16           H        LYS  16 -13.980   1.257 -17.008
   81    HA   LYS  16           HA       LYS  16 -15.719   0.709 -14.741
   82   1HB   LYS  16          2HB       LYS  16 -15.250  -1.472 -15.299
   83   2HB   LYS  16          1HB       LYS  16 -14.661  -0.729 -16.782
   84   1HG   LYS  16          2HG       LYS  16 -12.392  -0.749 -15.973
   85   2HG   LYS  16          1HG       LYS  16 -12.918  -1.262 -14.369
   86   1HD   LYS  16          2HD       LYS  16 -12.523  -3.370 -15.105
   87   2HD   LYS  16          1HD       LYS  16 -14.033  -3.189 -15.998
   88   1HE   LYS  16          2HE       LYS  16 -11.977  -1.910 -17.520
   89   2HE   LYS  16          1HE       LYS  16 -11.406  -3.529 -17.073
   90   1HZ   LYS  16          1HZ       LYS  16 -14.129  -2.979 -18.121
   91   2HZ   LYS  16          2HZ       LYS  16 -13.408  -4.497 -17.872
   92   3HZ   LYS  16          3HZ       LYS  16 -12.838  -3.475 -19.103
   93    H    TYR  17           H        TYR  17 -12.392   1.627 -15.227
   94    HA   TYR  17           HA       TYR  17 -11.433   0.930 -12.564
   95   1HB   TYR  17          2HB       TYR  17 -10.438   2.906 -14.652
   96   2HB   TYR  17          1HB       TYR  17  -9.495   2.276 -13.303
   97    HD1  TYR  17           HD1      TYR  17  -8.397   1.952 -15.955
   98    HD2  TYR  17           HD2      TYR  17 -11.284  -0.486 -13.914
   99    HE1  TYR  17           HE1      TYR  17  -7.724   0.004 -17.333
  100    HE2  TYR  17           HE2      TYR  17 -10.616  -2.432 -15.298
  101    HH   TYR  17           HH       TYR  17  -9.456  -3.074 -17.130
  102    H    ASP  18           H        ASP  18 -12.916   3.727 -14.118
  103    HA   ASP  18           HA       ASP  18 -12.418   5.606 -11.960
  104   1HB   ASP  18          2HB       ASP  18 -13.062   5.856 -14.527
  105   2HB   ASP  18          1HB       ASP  18 -14.708   5.813 -13.894
  106    H    ALA  19           H        ALA  19 -14.693   3.047 -12.470
  107    HA   ALA  19           HA       ALA  19 -16.735   4.123 -10.644
  108   1HB   ALA  19          1HB       ALA  19 -17.842   2.652 -11.983
  109   2HB   ALA  19          2HB       ALA  19 -17.111   1.374 -11.012
  110   3HB   ALA  19          3HB       ALA  19 -16.337   1.899 -12.507
  111    H    ILE  20           H        ILE  20 -14.067   1.801 -10.610
  112    HA   ILE  20           HA       ILE  20 -14.548   0.922  -7.873
  113    HB   ILE  20           HB       ILE  20 -12.305   0.686  -9.902
  114   1HG1  ILE  20          2HG1      ILE  20 -13.835  -1.643  -8.841
  115   2HG1  ILE  20          1HG1      ILE  20 -14.699  -0.546  -9.920
  116   1HG2  ILE  20          1HG2      ILE  20 -12.548  -0.644  -7.192
  117   2HG2  ILE  20          2HG2      ILE  20 -11.387   0.612  -7.617
  118   3HG2  ILE  20          3HG2      ILE  20 -11.297  -0.969  -8.391
  119   1HD1  ILE  20          1HD1      ILE  20 -13.634  -2.317 -11.231
  120   2HD1  ILE  20          2HD1      ILE  20 -12.069  -1.934 -10.514
  121   3HD1  ILE  20          3HD1      ILE  20 -12.858  -0.772 -11.580
  122    H    PHE  21           H        PHE  21 -12.740   3.380  -9.570
  123    HA   PHE  21           HA       PHE  21 -11.066   4.156  -7.323
  124   1HB   PHE  21          2HB       PHE  21 -10.100   4.776  -9.324
  125   2HB   PHE  21          1HB       PHE  21 -11.657   4.983 -10.120
  126    HD1  PHE  21           HD1      PHE  21  -8.899   6.643  -8.526
  127    HD2  PHE  21           HD2      PHE  21 -13.069   7.039  -9.472
  128    HE1  PHE  21           HE1      PHE  21  -8.741   9.096  -8.196
  129    HE2  PHE  21           HE2      PHE  21 -12.913   9.491  -9.141
  130    HZ   PHE  21           HZ       PHE  21 -10.749  10.520  -8.503
  131    H    ASP  22           H        ASP  22 -14.102   5.220  -8.769
  132    HA   ASP  22           HA       ASP  22 -14.455   7.377  -6.781
  133   1HB   ASP  22          2HB       ASP  22 -15.053   7.754  -9.117
  134   2HB   ASP  22          1HB       ASP  22 -16.110   6.338  -9.106
  135    H    SER  23           H        SER  23 -14.799   4.116  -6.673
  136    HA   SER  23           HA       SER  23 -17.430   4.059  -5.292
  137   1HB   SER  23          2HB       SER  23 -17.284   2.117  -6.509
  138   2HB   SER  23          1HB       SER  23 -15.524   2.174  -6.560
  139    HG   SER  23           HG       SER  23 -17.214   0.914  -4.802
  140    H    LEU  24           H        LEU  24 -14.258   4.759  -4.590
  141    HA   LEU  24           HA       LEU  24 -14.451   3.769  -1.770
  142   1HB   LEU  24          2HB       LEU  24 -11.879   4.780  -2.823
  143   2HB   LEU  24          1HB       LEU  24 -12.212   3.323  -1.897
  144    HG   LEU  24           HG       LEU  24 -12.845   3.639  -4.840
  145   1HD1  LEU  24          1HD1      LEU  24 -10.696   1.801  -3.976
  146   2HD1  LEU  24          2HD1      LEU  24 -10.320   3.512  -3.784
  147   3HD1  LEU  24          3HD1      LEU  24 -10.756   2.877  -5.371
  148   1HD2  LEU  24          1HD2      LEU  24 -12.444   1.000  -3.549
  149   2HD2  LEU  24          2HD2      LEU  24 -13.633   1.490  -4.756
  150   3HD2  LEU  24          3HD2      LEU  24 -13.893   1.876  -3.054
  151    H    SER  25           H        SER  25 -14.805   6.462  -3.704
  152    HA   SER  25           HA       SER  25 -15.210   8.720  -3.065
  153   1HB   SER  25          2HB       SER  25 -13.943   8.162  -0.399
  154   2HB   SER  25          1HB       SER  25 -15.284   9.237  -0.785
  155    HG   SER  25           HG       SER  25 -15.514   6.883   0.175
  156    HA   PRO  26           HA       PRO  26 -10.859   9.364  -4.192
  157   1HB   PRO  26          2HB       PRO  26 -11.423  11.300  -6.038
  158   2HB   PRO  26          1HB       PRO  26 -11.516   9.564  -6.399
  159   1HG   PRO  26          2HG       PRO  26 -13.700  11.481  -5.746
  160   2HG   PRO  26          1HG       PRO  26 -13.668  10.170  -6.937
  161   1HD   PRO  26          2HD       PRO  26 -14.898   9.953  -4.523
  162   2HD   PRO  26          1HD       PRO  26 -14.188   8.567  -5.378
  163    H    VAL  27           H        VAL  27  -9.482  11.138  -3.704
  164    HA   VAL  27           HA       VAL  27 -10.787  13.396  -2.224
  165    HB   VAL  27           HB       VAL  27  -8.166  11.930  -1.773
  166   1HG1  VAL  27          1HG1      VAL  27  -8.127  13.346   0.335
  167   2HG1  VAL  27          2HG1      VAL  27  -9.418  14.311  -0.380
  168   3HG1  VAL  27          3HG1      VAL  27  -7.839  14.234  -1.162
  169   1HG2  VAL  27          1HG2      VAL  27  -9.353  10.589  -0.404
  170   2HG2  VAL  27          2HG2      VAL  27 -10.829  11.376  -0.961
  171   3HG2  VAL  27          3HG2      VAL  27  -9.986  11.989   0.463
  172    H    ASN  28           H        ASN  28 -10.748  14.892  -3.950
  173    HA   ASN  28           HA       ASN  28  -9.751  16.558  -5.290
  174   1HB   ASN  28          2HB       ASN  28  -7.904  17.393  -4.264
  175   2HB   ASN  28          1HB       ASN  28  -8.029  16.034  -3.156
  176   1HD2  ASN  28          1HD2      ASN  28  -6.495  16.995  -6.269
  177   2HD2  ASN  28          2HD2      ASN  28  -5.169  15.947  -6.111
  178    H    GLY  29           H        GLY  29  -9.695  13.392  -5.759
  179   1HA   GLY  29          2HA       GLY  29  -9.570  12.490  -8.033
  180   2HA   GLY  29          1HA       GLY  29  -8.259  13.625  -8.365
  181    H    PHE  30           H        PHE  30  -8.525  11.705  -5.431
  182    HA   PHE  30           HA       PHE  30  -6.405   9.846  -6.352
  183   1HB   PHE  30          2HB       PHE  30  -6.184  11.929  -4.184
  184   2HB   PHE  30          1HB       PHE  30  -5.092  10.539  -4.271
  185    HD1  PHE  30           HD1      PHE  30  -6.074  13.708  -5.795
  186    HD2  PHE  30           HD2      PHE  30  -3.636  10.207  -6.225
  187    HE1  PHE  30           HE1      PHE  30  -4.769  14.845  -7.557
  188    HE2  PHE  30           HE2      PHE  30  -2.315  11.346  -7.996
  189    HZ   PHE  30           HZ       PHE  30  -2.880  13.669  -8.662
  190    H    LEU  31           H        LEU  31  -6.244   7.974  -5.099
  191    HA   LEU  31           HA       LEU  31  -8.327   7.630  -2.953
  192   1HB   LEU  31          2HB       LEU  31  -7.211   5.802  -5.084
  193   2HB   LEU  31          1HB       LEU  31  -8.019   5.161  -3.655
  194    HG   LEU  31           HG       LEU  31  -9.208   7.033  -5.711
  195   1HD1  LEU  31          1HD1      LEU  31  -9.478   4.979  -6.677
  196   2HD1  LEU  31          2HD1      LEU  31 -10.794   4.827  -5.509
  197   3HD1  LEU  31          3HD1      LEU  31  -9.211   4.129  -5.152
  198   1HD2  LEU  31          1HD2      LEU  31 -10.162   6.061  -3.015
  199   2HD2  LEU  31          2HD2      LEU  31 -11.316   6.470  -4.288
  200   3HD2  LEU  31          3HD2      LEU  31 -10.207   7.698  -3.673
  201    H    SER  32           H        SER  32  -7.472   6.979  -0.979
  202    HA   SER  32           HA       SER  32  -4.565   6.807  -0.722
  203   1HB   SER  32          2HB       SER  32  -6.263   5.970   1.535
  204   2HB   SER  32          1HB       SER  32  -5.042   7.239   1.467
  205    HG   SER  32           HG       SER  32  -7.007   8.232   1.690
  206    H    GLY  33           H        GLY  33  -3.363   4.924  -0.295
  207   1HA   GLY  33          2HA       GLY  33  -4.036   2.493  -1.432
  208   2HA   GLY  33          1HA       GLY  33  -2.969   2.599  -0.028
  209    H    ASP  34           H        ASP  34  -5.128   3.819   1.594
  210    HA   ASP  34           HA       ASP  34  -6.165   1.548   2.912
  211   1HB   ASP  34          2HB       ASP  34  -7.096   4.419   2.653
  212   2HB   ASP  34          1HB       ASP  34  -7.841   3.279   3.774
  213    H    LYS  35           H        LYS  35  -7.259   3.197   0.017
  214    HA   LYS  35           HA       LYS  35  -9.780   1.603  -0.016
  215   1HB   LYS  35          2HB       LYS  35  -8.789   3.930  -1.694
  216   2HB   LYS  35          1HB       LYS  35 -10.414   3.249  -1.733
  217   1HG   LYS  35          2HG       LYS  35 -11.037   4.422   0.092
  218   2HG   LYS  35          1HG       LYS  35  -9.599   3.913   0.980
  219   1HD   LYS  35          2HD       LYS  35  -8.593   5.893   0.619
  220   2HD   LYS  35          1HD       LYS  35  -8.891   5.780  -1.116
  221   1HE   LYS  35          2HE       LYS  35 -10.239   7.602  -0.714
  222   2HE   LYS  35          1HE       LYS  35 -11.405   6.363  -0.209
  223   1HZ   LYS  35          1HZ       LYS  35 -10.650   6.520   2.028
  224   2HZ   LYS  35          2HZ       LYS  35 -10.973   8.102   1.502
  225   3HZ   LYS  35          3HZ       LYS  35  -9.370   7.546   1.600
  226    H    VAL  36           H        VAL  36  -6.754   2.252  -1.695
  227    HA   VAL  36           HA       VAL  36  -7.412   0.489  -3.956
  228    HB   VAL  36           HB       VAL  36  -4.877   1.866  -3.042
  229   1HG1  VAL  36          1HG1      VAL  36  -4.933  -0.202  -4.727
  230   2HG1  VAL  36          2HG1      VAL  36  -3.877   1.180  -5.009
  231   3HG1  VAL  36          3HG1      VAL  36  -5.411   1.052  -5.868
  232   1HG2  VAL  36          1HG2      VAL  36  -5.524   3.698  -4.314
  233   2HG2  VAL  36          2HG2      VAL  36  -7.102   3.145  -3.754
  234   3HG2  VAL  36          3HG2      VAL  36  -6.547   2.731  -5.377
  235    H    LYS  37           H        LYS  37  -5.185   0.405  -1.158
  236    HA   LYS  37           HA       LYS  37  -3.785  -1.927  -1.589
  237   1HB   LYS  37          2HB       LYS  37  -3.413  -0.593   0.361
  238   2HB   LYS  37          1HB       LYS  37  -5.072  -0.815   0.913
  239   1HG   LYS  37          2HG       LYS  37  -4.675  -2.931   1.712
  240   2HG   LYS  37          1HG       LYS  37  -3.448  -3.274   0.492
  241   1HD   LYS  37          2HD       LYS  37  -1.767  -2.474   1.787
  242   2HD   LYS  37          1HD       LYS  37  -2.724  -1.104   2.351
  243   1HE   LYS  37          2HE       LYS  37  -3.955  -2.617   3.896
  244   2HE   LYS  37          1HE       LYS  37  -2.924  -3.962   3.367
  245   1HZ   LYS  37          1HZ       LYS  37  -1.016  -2.335   3.883
  246   2HZ   LYS  37          2HZ       LYS  37  -1.774  -3.129   5.180
  247   3HZ   LYS  37          3HZ       LYS  37  -2.161  -1.513   4.827
  248    HA   PRO  38           HA       PRO  38  -7.378  -4.642   0.112
  249   1HB   PRO  38          2HB       PRO  38  -9.866  -3.487   0.162
  250   2HB   PRO  38          1HB       PRO  38  -8.767  -3.479   1.557
  251   1HG   PRO  38          2HG       PRO  38  -9.283  -1.339  -0.459
  252   2HG   PRO  38          1HG       PRO  38  -9.096  -1.208   1.298
  253   1HD   PRO  38          2HD       PRO  38  -7.104  -0.580  -0.389
  254   2HD   PRO  38          1HD       PRO  38  -6.798  -1.314   1.201
  255    H    VAL  39           H        VAL  39  -8.122  -2.154  -2.267
  256    HA   VAL  39           HA       VAL  39  -9.843  -3.665  -3.984
  257    HB   VAL  39           HB       VAL  39  -8.117  -1.229  -4.059
  258   1HG1  VAL  39          1HG1      VAL  39  -8.737  -0.882  -6.483
  259   2HG1  VAL  39          2HG1      VAL  39  -9.196  -2.584  -6.542
  260   3HG1  VAL  39          3HG1      VAL  39  -7.524  -2.132  -6.209
  261   1HG2  VAL  39          1HG2      VAL  39 -10.676  -1.590  -3.433
  262   2HG2  VAL  39          2HG2      VAL  39 -10.882  -1.435  -5.178
  263   3HG2  VAL  39          3HG2      VAL  39 -10.139  -0.126  -4.258
  264    H    LEU  40           H        LEU  40  -6.319  -3.397  -3.721
  265    HA   LEU  40           HA       LEU  40  -5.837  -5.027  -6.123
  266   1HB   LEU  40          2HB       LEU  40  -4.003  -4.024  -3.925
  267   2HB   LEU  40          1HB       LEU  40  -3.513  -4.566  -5.532
  268    HG   LEU  40           HG       LEU  40  -5.408  -2.259  -5.039
  269   1HD1  LEU  40          1HD1      LEU  40  -3.203  -1.106  -6.056
  270   2HD1  LEU  40          2HD1      LEU  40  -2.445  -2.427  -5.163
  271   3HD1  LEU  40          3HD1      LEU  40  -3.483  -1.275  -4.325
  272   1HD2  LEU  40          1HD2      LEU  40  -4.992  -3.808  -7.278
  273   2HD2  LEU  40          2HD2      LEU  40  -3.894  -2.451  -7.539
  274   3HD2  LEU  40          3HD2      LEU  40  -5.616  -2.157  -7.284
  275    H    LEU  41           H        LEU  41  -6.027  -5.460  -2.644
  276    HA   LEU  41           HA       LEU  41  -4.701  -8.042  -2.590
  277   1HB   LEU  41          2HB       LEU  41  -6.574  -6.555  -0.728
  278   2HB   LEU  41          1HB       LEU  41  -5.784  -8.074  -0.304
  279    HG   LEU  41           HG       LEU  41  -4.212  -5.689  -1.266
  280   1HD1  LEU  41          1HD1      LEU  41  -3.884  -5.013   1.020
  281   2HD1  LEU  41          2HD1      LEU  41  -4.741  -6.431   1.622
  282   3HD1  LEU  41          3HD1      LEU  41  -5.626  -5.160   0.777
  283   1HD2  LEU  41          1HD2      LEU  41  -2.960  -7.430   0.667
  284   2HD2  LEU  41          2HD2      LEU  41  -2.473  -7.101  -0.996
  285   3HD2  LEU  41          3HD2      LEU  41  -3.625  -8.393  -0.653
  286    H    ASN  42           H        ASN  42  -7.731  -6.938  -3.672
  287    HA   ASN  42           HA       ASN  42  -9.167  -9.430  -3.051
  288   1HB   ASN  42          2HB       ASN  42 -10.370  -7.353  -2.885
  289   2HB   ASN  42          1HB       ASN  42  -9.822  -6.841  -4.481
  290   1HD2  ASN  42          1HD2      ASN  42 -11.765  -6.790  -5.673
  291   2HD2  ASN  42          2HD2      ASN  42 -12.821  -8.110  -5.828
  292    H    SER  43           H        SER  43  -7.008  -8.409  -5.399
  293    HA   SER  43           HA       SER  43  -8.231  -9.723  -7.725
  294   1HB   SER  43          2HB       SER  43  -5.366  -9.001  -7.706
  295   2HB   SER  43          1HB       SER  43  -6.636  -8.524  -8.832
  296    HG   SER  43           HG       SER  43  -5.654  -7.226  -6.660
  297    H    LYS  44           H        LYS  44  -7.122 -11.090  -5.039
  298    HA   LYS  44           HA       LYS  44  -6.205 -13.215  -4.558
  299   1HB   LYS  44          2HB       LYS  44  -7.247 -13.241  -7.308
  300   2HB   LYS  44          1HB       LYS  44  -6.008 -14.463  -7.017
  301   1HG   LYS  44          2HG       LYS  44  -7.871 -14.301  -4.790
  302   2HG   LYS  44          1HG       LYS  44  -8.711 -14.637  -6.304
  303   1HD   LYS  44          2HD       LYS  44  -6.995 -16.446  -6.743
  304   2HD   LYS  44          1HD       LYS  44  -6.416 -16.198  -5.095
  305   1HE   LYS  44          2HE       LYS  44  -9.192 -16.425  -4.807
  306   2HE   LYS  44          1HE       LYS  44  -8.765 -17.666  -6.002
  307   1HZ   LYS  44          1HZ       LYS  44  -8.192 -18.788  -4.129
  308   2HZ   LYS  44          2HZ       LYS  44  -7.885 -17.379  -3.231
  309   3HZ   LYS  44          3HZ       LYS  44  -6.738 -17.943  -4.350
  310    H    LEU  45           H        LEU  45  -4.594 -10.813  -5.884
  311    HA   LEU  45           HA       LEU  45  -2.169 -12.314  -6.761
  312   1HB   LEU  45          2HB       LEU  45  -3.265  -9.531  -6.962
  313   2HB   LEU  45          1HB       LEU  45  -1.520  -9.760  -7.093
  314    HG   LEU  45           HG       LEU  45  -3.562 -11.278  -8.740
  315   1HD1  LEU  45          1HD1      LEU  45  -3.666  -8.985  -9.437
  316   2HD1  LEU  45          2HD1      LEU  45  -2.637  -9.814 -10.606
  317   3HD1  LEU  45          3HD1      LEU  45  -1.913  -8.812  -9.348
  318   1HD2  LEU  45          1HD2      LEU  45  -1.015 -12.012  -8.158
  319   2HD2  LEU  45          2HD2      LEU  45  -0.715 -10.968  -9.548
  320   3HD2  LEU  45          3HD2      LEU  45  -1.782 -12.361  -9.708
  321    HA   PRO  46           HA       PRO  46  -0.236 -11.638  -2.889
  322   1HB   PRO  46          2HB       PRO  46   2.388 -11.693  -3.657
  323   2HB   PRO  46          1HB       PRO  46   1.368 -13.143  -3.599
  324   1HG   PRO  46          2HG       PRO  46   2.239 -11.540  -5.927
  325   2HG   PRO  46          1HG       PRO  46   1.945 -13.278  -5.794
  326   1HD   PRO  46          2HD       PRO  46   0.207 -11.451  -6.929
  327   2HD   PRO  46          1HD       PRO  46  -0.246 -13.063  -6.345
  328    H    VAL  47           H        VAL  47   1.472 -10.087  -1.868
  329    HA   VAL  47           HA       VAL  47   0.832  -7.369  -2.603
  330    HB   VAL  47           HB       VAL  47   2.218  -8.903  -0.527
  331   1HG1  VAL  47          1HG1      VAL  47   3.679  -7.077   0.257
  332   2HG1  VAL  47          2HG1      VAL  47   3.300  -6.151  -1.195
  333   3HG1  VAL  47          3HG1      VAL  47   4.191  -7.667  -1.323
  334   1HG2  VAL  47          1HG2      VAL  47   0.904  -6.175  -0.512
  335   2HG2  VAL  47          2HG2      VAL  47   1.253  -7.173   0.901
  336   3HG2  VAL  47          3HG2      VAL  47   0.059  -7.707  -0.283
  337    H    ASP  48           H        ASP  48   2.968  -9.617  -3.916
  338    HA   ASP  48           HA       ASP  48   5.191  -7.849  -4.515
  339   1HB   ASP  48          2HB       ASP  48   4.239 -10.559  -5.470
  340   2HB   ASP  48          1HB       ASP  48   5.706  -9.808  -6.095
  341    H    ILE  49           H        ILE  49   2.168  -8.784  -6.024
  342    HA   ILE  49           HA       ILE  49   2.847  -7.404  -8.542
  343    HB   ILE  49           HB       ILE  49   0.125  -8.412  -7.725
  344   1HG1  ILE  49          2HG1      ILE  49   1.662 -10.202  -7.074
  345   2HG1  ILE  49          1HG1      ILE  49   0.812 -10.665  -8.547
  346   1HG2  ILE  49          1HG2      ILE  49   1.362  -7.431 -10.088
  347   2HG2  ILE  49          2HG2      ILE  49  -0.284  -8.034  -9.898
  348   3HG2  ILE  49          3HG2      ILE  49   1.013  -9.140 -10.351
  349   1HD1  ILE  49          1HD1      ILE  49   3.266 -11.131  -8.629
  350   2HD1  ILE  49          2HD1      ILE  49   3.557  -9.395  -8.505
  351   3HD1  ILE  49          3HD1      ILE  49   2.716 -10.051  -9.911
  352    H    LEU  50           H        LEU  50   0.811  -7.019  -5.688
  353    HA   LEU  50           HA       LEU  50  -0.383  -4.510  -6.589
  354   1HB   LEU  50          2HB       LEU  50  -0.151  -5.569  -3.767
  355   2HB   LEU  50          1HB       LEU  50  -1.431  -4.568  -4.446
  356    HG   LEU  50           HG       LEU  50  -0.852  -7.461  -5.152
  357   1HD1  LEU  50          1HD1      LEU  50  -3.098  -6.092  -3.650
  358   2HD1  LEU  50          2HD1      LEU  50  -1.954  -7.275  -3.014
  359   3HD1  LEU  50          3HD1      LEU  50  -3.165  -7.767  -4.200
  360   1HD2  LEU  50          1HD2      LEU  50  -3.358  -6.577  -6.149
  361   2HD2  LEU  50          2HD2      LEU  50  -1.941  -7.054  -7.085
  362   3HD2  LEU  50          3HD2      LEU  50  -2.169  -5.366  -6.630
  363    H    GLY  51           H        GLY  51   2.464  -5.566  -4.852
  364   1HA   GLY  51          2HA       GLY  51   3.099  -2.987  -3.672
  365   2HA   GLY  51          1HA       GLY  51   4.224  -4.334  -3.870
  366    H    ARG  52           H        ARG  52   3.516  -4.559  -6.713
  367    HA   ARG  52           HA       ARG  52   5.278  -2.399  -7.754
  368   1HB   ARG  52          2HB       ARG  52   5.215  -5.157  -8.001
  369   2HB   ARG  52          1HB       ARG  52   4.485  -4.608  -9.508
  370   1HG   ARG  52          2HG       ARG  52   6.399  -3.216 -10.002
  371   2HG   ARG  52          1HG       ARG  52   7.103  -3.553  -8.421
  372   1HD   ARG  52          2HD       ARG  52   6.463  -5.969 -10.002
  373   2HD   ARG  52          1HD       ARG  52   7.746  -4.949 -10.683
  374    HE   ARG  52           HE       ARG  52   9.063  -5.352  -8.736
  375   1HH1  ARG  52          1HH2      ARG  52   7.389  -7.988  -8.972
  376   2HH1  ARG  52          2HH2      ARG  52   7.015  -8.245  -7.301
  377   1HH2  ARG  52          2HH1      ARG  52   7.922  -5.041  -6.333
  378   2HH2  ARG  52          1HH1      ARG  52   7.317  -6.577  -5.807
  379    H    VAL  53           H        VAL  53   2.044  -3.809  -8.063
  380    HA   VAL  53           HA       VAL  53   1.366  -2.375 -10.495
  381    HB   VAL  53           HB       VAL  53  -0.149  -3.811  -8.308
  382   1HG1  VAL  53          1HG1      VAL  53  -2.077  -2.820  -8.913
  383   2HG1  VAL  53          2HG1      VAL  53  -1.813  -3.327 -10.583
  384   3HG1  VAL  53          3HG1      VAL  53  -1.192  -1.774 -10.026
  385   1HG2  VAL  53          1HG2      VAL  53   0.041  -5.589  -9.700
  386   2HG2  VAL  53          2HG2      VAL  53   1.206  -4.631 -10.612
  387   3HG2  VAL  53          3HG2      VAL  53  -0.493  -4.644 -11.093
  388    H    TRP  54           H        TRP  54   0.955  -1.748  -7.001
  389    HA   TRP  54           HA       TRP  54  -0.561   0.678  -7.310
  390   1HB   TRP  54          2HB       TRP  54  -0.523  -0.213  -5.124
  391   2HB   TRP  54          1HB       TRP  54   1.217  -0.515  -5.178
  392    HD1  TRP  54           HD1      TRP  54   2.825   1.704  -5.146
  393    HE1  TRP  54           HE1      TRP  54   2.478   3.982  -4.021
  394    HE3  TRP  54           HE3      TRP  54  -2.207   1.505  -4.278
  395    HZ2  TRP  54           HZ2      TRP  54   0.361   5.516  -2.865
  396    HZ3  TRP  54           HZ3      TRP  54  -3.357   3.406  -3.145
  397    HH2  TRP  54           HH2      TRP  54  -2.079   5.387  -2.446
  398    H    GLU  55           H        GLU  55   2.951   0.098  -6.816
  399    HA   GLU  55           HA       GLU  55   3.828   2.765  -6.920
  400   1HB   GLU  55          2HB       GLU  55   5.099   0.238  -8.012
  401   2HB   GLU  55          1HB       GLU  55   5.965   1.731  -7.641
  402   1HG   GLU  55          2HG       GLU  55   4.247   0.543  -5.506
  403   2HG   GLU  55          1HG       GLU  55   5.791  -0.236  -5.855
  404    H    LEU  56           H        LEU  56   3.724   0.498  -9.677
  405    HA   LEU  56           HA       LEU  56   4.297   2.392 -11.712
  406   1HB   LEU  56          2HB       LEU  56   2.540  -0.089 -11.741
  407   2HB   LEU  56          1HB       LEU  56   3.265   0.666 -13.160
  408    HG   LEU  56           HG       LEU  56   5.019  -0.123 -10.855
  409   1HD1  LEU  56          1HD1      LEU  56   5.093  -2.358 -11.428
  410   2HD1  LEU  56          2HD1      LEU  56   4.593  -2.057 -13.093
  411   3HD1  LEU  56          3HD1      LEU  56   3.401  -2.023 -11.794
  412   1HD2  LEU  56          1HD2      LEU  56   6.243   1.046 -12.461
  413   2HD2  LEU  56          2HD2      LEU  56   5.281   0.415 -13.795
  414   3HD2  LEU  56          3HD2      LEU  56   6.473  -0.616 -13.003
  415    H    SER  57           H        SER  57   1.460   1.870  -9.798
  416    HA   SER  57           HA       SER  57  -0.334   3.381 -11.608
  417   1HB   SER  57          2HB       SER  57  -0.634   2.149  -8.848
  418   2HB   SER  57          1HB       SER  57  -1.950   2.894  -9.749
  419    HG   SER  57           HG       SER  57  -1.142   1.328 -11.476
  420    H    ASP  58           H        ASP  58   1.402   3.717  -8.542
  421    HA   ASP  58           HA       ASP  58   0.352   6.396  -7.969
  422   1HB   ASP  58          2HB       ASP  58   1.057   4.486  -6.367
  423   2HB   ASP  58          1HB       ASP  58   2.709   5.007  -6.697
  424    H    ILE  59           H        ILE  59   1.313   6.840 -10.370
  425    HA   ILE  59           HA       ILE  59   4.099   7.217 -10.756
  426    HB   ILE  59           HB       ILE  59   1.633   8.608 -11.828
  427   1HG1  ILE  59          2HG1      ILE  59   3.364   6.665 -13.321
  428   2HG1  ILE  59          1HG1      ILE  59   2.248   6.043 -12.105
  429   1HG2  ILE  59          1HG2      ILE  59   3.521   8.876 -13.776
  430   2HG2  ILE  59          2HG2      ILE  59   4.518   9.056 -12.332
  431   3HG2  ILE  59          3HG2      ILE  59   3.149  10.136 -12.599
  432   1HD1  ILE  59          1HD1      ILE  59   1.679   7.029 -14.779
  433   2HD1  ILE  59          2HD1      ILE  59   0.745   7.905 -13.564
  434   3HD1  ILE  59          3HD1      ILE  59   0.629   6.147 -13.669
  435    H    ASP  60           H        ASP  60   1.842   9.005  -8.817
  436    HA   ASP  60           HA       ASP  60   3.567  11.416  -8.716
  437   1HB   ASP  60          2HB       ASP  60   1.067  10.755  -7.139
  438   2HB   ASP  60          1HB       ASP  60   1.716  12.353  -7.499
  439    H    HIS  61           H        HIS  61   2.972   8.479  -6.961
  440    HA   HIS  61           HA       HIS  61   3.995   7.606  -5.019
  441   1HB   HIS  61          2HB       HIS  61   5.787   9.647  -6.156
  442   2HB   HIS  61          1HB       HIS  61   6.083   9.271  -4.459
  443    HD1  HIS  61           HD1      HIS  61   6.943   6.914  -3.882
  444    HD2  HIS  61           HD2      HIS  61   6.191   7.439  -7.948
  445    HE1  HIS  61           HE1      HIS  61   7.935   4.903  -5.060
  446    H    ASP  62           H        ASP  62   1.828   9.617  -4.765
  447    HA   ASP  62           HA       ASP  62   2.612  11.164  -2.349
  448   1HB   ASP  62          2HB       ASP  62   0.502  12.293  -2.736
  449   2HB   ASP  62          1HB       ASP  62   1.303  12.114  -4.296
  450    H    GLY  63           H        GLY  63   1.478   8.095  -3.038
  451   1HA   GLY  63          2HA       GLY  63   0.876   6.469  -1.379
  452   2HA   GLY  63          1HA       GLY  63   0.454   7.783  -0.282
  453    H    MET  64           H        MET  64  -0.705   7.847  -3.579
  454    HA   MET  64           HA       MET  64  -3.306   6.684  -2.845
  455   1HB   MET  64          2HB       MET  64  -3.416   9.456  -3.947
  456   2HB   MET  64          1HB       MET  64  -4.531   8.639  -2.854
  457   1HG   MET  64          2HG       MET  64  -2.889   8.850  -1.023
  458   2HG   MET  64          1HG       MET  64  -1.785   9.683  -2.116
  459   1HE   MET  64          1HE       MET  64  -5.054   9.774  -0.076
  460   2HE   MET  64          2HE       MET  64  -5.632   9.713  -1.738
  461   3HE   MET  64          3HE       MET  64  -5.925  11.152  -0.764
  462    H    LEU  65           H        LEU  65  -4.756   6.531  -4.766
  463    HA   LEU  65           HA       LEU  65  -3.204   6.598  -7.337
  464   1HB   LEU  65          2HB       LEU  65  -5.200   4.700  -6.121
  465   2HB   LEU  65          1HB       LEU  65  -4.983   4.751  -7.870
  466    HG   LEU  65           HG       LEU  65  -2.839   4.207  -5.798
  467   1HD1  LEU  65          1HD1      LEU  65  -4.645   2.462  -6.776
  468   2HD1  LEU  65          2HD1      LEU  65  -2.983   2.000  -6.408
  469   3HD1  LEU  65          3HD1      LEU  65  -3.447   2.379  -8.066
  470   1HD2  LEU  65          1HD2      LEU  65  -1.511   3.741  -7.996
  471   2HD2  LEU  65          2HD2      LEU  65  -1.706   5.414  -7.474
  472   3HD2  LEU  65          3HD2      LEU  65  -2.726   4.766  -8.759
  473    H    ASP  66           H        ASP  66  -3.951   8.379  -8.470
  474    HA   ASP  66           HA       ASP  66  -6.584   9.515  -8.126
  475   1HB   ASP  66          2HB       ASP  66  -4.860  10.962  -8.803
  476   2HB   ASP  66          1HB       ASP  66  -4.268   9.835 -10.019
  477    H    ARG  67           H        ARG  67  -8.000   9.842 -10.127
  478    HA   ARG  67           HA       ARG  67  -9.200   7.455 -10.974
  479   1HB   ARG  67          2HB       ARG  67 -10.160   8.919 -12.770
  480   2HB   ARG  67          1HB       ARG  67 -10.220   9.651 -11.166
  481   1HG   ARG  67          2HG       ARG  67  -8.112  10.874 -11.678
  482   2HG   ARG  67          1HG       ARG  67  -8.143  10.197 -13.306
  483   1HD   ARG  67          2HD       ARG  67  -9.393  12.008 -13.884
  484   2HD   ARG  67          1HD       ARG  67 -10.712  11.268 -12.954
  485    HE   ARG  67           HE       ARG  67  -9.090  12.486 -11.039
  486   1HH1  ARG  67          1HH2      ARG  67 -11.788  13.159 -12.838
  487   2HH1  ARG  67          2HH2      ARG  67 -11.662  14.884 -12.746
  488   1HH2  ARG  67          2HH1      ARG  67  -8.481  14.845 -11.367
  489   2HH2  ARG  67          1HH1      ARG  67  -9.791  15.837 -11.913
  490    H    ASP  68           H        ASP  68  -6.639   9.303 -12.620
  491    HA   ASP  68           HA       ASP  68  -6.526   7.450 -14.890
  492   1HB   ASP  68          2HB       ASP  68  -5.575  10.047 -14.137
  493   2HB   ASP  68          1HB       ASP  68  -4.185   9.074 -14.621
  494    H    GLU  69           H        GLU  69  -4.716   8.016 -11.906
  495    HA   GLU  69           HA       GLU  69  -2.606   6.103 -12.474
  496   1HB   GLU  69          2HB       GLU  69  -3.718   7.339  -9.937
  497   2HB   GLU  69          1HB       GLU  69  -2.202   6.446 -10.021
  498   1HG   GLU  69          2HG       GLU  69  -1.457   8.062 -11.812
  499   2HG   GLU  69          1HG       GLU  69  -2.893   9.019 -11.448
  500    H    PHE  70           H        PHE  70  -5.544   6.051 -10.456
  501    HA   PHE  70           HA       PHE  70  -5.398   3.383  -9.541
  502   1HB   PHE  70          2HB       PHE  70  -6.974   5.338  -8.958
  503   2HB   PHE  70          1HB       PHE  70  -7.905   4.864 -10.379
  504    HD1  PHE  70           HD1      PHE  70  -7.313   4.248  -6.896
  505    HD2  PHE  70           HD2      PHE  70  -8.679   2.396 -10.524
  506    HE1  PHE  70           HE1      PHE  70  -8.449   2.490  -5.570
  507    HE2  PHE  70           HE2      PHE  70  -9.816   0.639  -9.194
  508    HZ   PHE  70           HZ       PHE  70  -9.704   0.689  -6.720
  509    H    ALA  71           H        ALA  71  -6.237   4.716 -12.685
  510    HA   ALA  71           HA       ALA  71  -7.617   2.412 -13.740
  511   1HB   ALA  71          1HB       ALA  71  -5.981   4.584 -15.093
  512   2HB   ALA  71          2HB       ALA  71  -7.690   4.711 -14.671
  513   3HB   ALA  71          3HB       ALA  71  -7.165   3.549 -15.890
  514    H    VAL  72           H        VAL  72  -4.253   3.529 -14.087
  515    HA   VAL  72           HA       VAL  72  -3.261   1.363 -15.619
  516    HB   VAL  72           HB       VAL  72  -1.914   3.024 -13.459
  517   1HG1  VAL  72          1HG1      VAL  72   0.081   2.170 -14.124
  518   2HG1  VAL  72          2HG1      VAL  72  -0.388   2.141 -15.826
  519   3HG1  VAL  72          3HG1      VAL  72  -0.888   0.835 -14.751
  520   1HG2  VAL  72          1HG2      VAL  72  -3.148   4.214 -15.397
  521   2HG2  VAL  72          2HG2      VAL  72  -1.891   3.542 -16.436
  522   3HG2  VAL  72          3HG2      VAL  72  -1.458   4.646 -15.128
  523    H    ALA  73           H        ALA  73  -4.131   1.579 -12.255
  524    HA   ALA  73           HA       ALA  73  -2.638  -0.851 -11.496
  525   1HB   ALA  73          1HB       ALA  73  -3.254   1.417 -10.211
  526   2HB   ALA  73          2HB       ALA  73  -3.054  -0.114  -9.352
  527   3HB   ALA  73          3HB       ALA  73  -4.674   0.462  -9.755
  528    H    MET  74           H        MET  74  -5.645  -0.254 -12.968
  529    HA   MET  74           HA       MET  74  -7.027  -2.467 -11.571
  530   1HB   MET  74          2HB       MET  74  -7.836  -0.724 -13.920
  531   2HB   MET  74          1HB       MET  74  -8.908  -1.793 -13.025
  532   1HG   MET  74          2HG       MET  74  -7.990   0.913 -12.363
  533   2HG   MET  74          1HG       MET  74  -9.397   0.039 -11.786
  534   1HE   MET  74          1HE       MET  74  -9.148  -1.501  -9.105
  535   2HE   MET  74          2HE       MET  74  -7.733  -2.492  -9.452
  536   3HE   MET  74          3HE       MET  74  -8.917  -2.181 -10.722
  537    H    PHE  75           H        PHE  75  -5.674  -1.778 -14.791
  538    HA   PHE  75           HA       PHE  75  -6.382  -4.471 -15.726
  539   1HB   PHE  75          2HB       PHE  75  -5.572  -3.699 -17.803
  540   2HB   PHE  75          1HB       PHE  75  -6.206  -2.239 -17.049
  541    HD1  PHE  75           HD1      PHE  75  -3.053  -4.221 -17.395
  542    HD2  PHE  75           HD2      PHE  75  -4.849  -0.369 -16.812
  543    HE1  PHE  75           HE1      PHE  75  -0.827  -3.155 -17.572
  544    HE2  PHE  75           HE2      PHE  75  -2.621   0.694 -17.011
  545    HZ   PHE  75           HZ       PHE  75  -0.614  -0.692 -17.374
  546    H    LEU  76           H        LEU  76  -3.755  -2.864 -14.132
  547    HA   LEU  76           HA       LEU  76  -1.689  -4.841 -14.737
  548   1HB   LEU  76          2HB       LEU  76  -2.072  -2.361 -13.203
  549   2HB   LEU  76          1HB       LEU  76  -0.967  -3.497 -12.436
  550    HG   LEU  76           HG       LEU  76  -0.761  -2.671 -15.335
  551   1HD1  LEU  76          1HD1      LEU  76   0.775  -1.019 -14.781
  552   2HD1  LEU  76          2HD1      LEU  76   1.133  -1.737 -13.209
  553   3HD1  LEU  76          3HD1      LEU  76  -0.382  -0.869 -13.458
  554   1HD2  LEU  76          1HD2      LEU  76   0.717  -4.368 -15.420
  555   2HD2  LEU  76          2HD2      LEU  76   0.482  -4.693 -13.702
  556   3HD2  LEU  76          3HD2      LEU  76   1.698  -3.526 -14.219
  557    H    VAL  77           H        VAL  77  -4.285  -4.484 -12.458
  558    HA   VAL  77           HA       VAL  77  -3.232  -6.575 -10.647
  559    HB   VAL  77           HB       VAL  77  -5.592  -4.685 -10.739
  560   1HG1  VAL  77          1HG1      VAL  77  -5.124  -6.905  -8.720
  561   2HG1  VAL  77          2HG1      VAL  77  -6.414  -6.881  -9.922
  562   3HG1  VAL  77          3HG1      VAL  77  -6.388  -5.678  -8.633
  563   1HG2  VAL  77          1HG2      VAL  77  -3.918  -4.975  -8.327
  564   2HG2  VAL  77          2HG2      VAL  77  -4.415  -3.517  -9.187
  565   3HG2  VAL  77          3HG2      VAL  77  -3.035  -4.451  -9.758
  566    H    TYR  78           H        TYR  78  -6.053  -6.025 -12.775
  567    HA   TYR  78           HA       TYR  78  -7.129  -8.674 -12.430
  568   1HB   TYR  78          2HB       TYR  78  -7.586  -6.252 -14.067
  569   2HB   TYR  78          1HB       TYR  78  -8.161  -7.761 -14.781
  570    HD1  TYR  78           HD1      TYR  78  -9.242  -5.109 -12.898
  571    HD2  TYR  78           HD2      TYR  78  -9.170  -9.402 -12.766
  572    HE1  TYR  78           HE1      TYR  78 -11.190  -5.092 -11.364
  573    HE2  TYR  78           HE2      TYR  78 -11.122  -9.386 -11.234
  574    HH   TYR  78           HH       TYR  78 -12.318  -8.019  -9.799
  575    H    CYS  79           H        CYS  79  -4.918  -7.219 -14.775
  576    HA   CYS  79           HA       CYS  79  -4.841  -9.638 -16.443
  577   1HB   CYS  79          2HB       CYS  79  -4.525  -7.081 -17.010
  578   2HB   CYS  79          1HB       CYS  79  -2.861  -7.379 -16.508
  579    HG   CYS  79           HG       CYS  79  -2.593  -8.214 -18.838
  580    H    ALA  80           H        ALA  80  -3.440  -8.643 -13.511
  581    HA   ALA  80           HA       ALA  80  -0.897 -10.119 -13.938
  582   1HB   ALA  80          1HB       ALA  80  -0.770  -9.347 -11.404
  583   2HB   ALA  80          2HB       ALA  80  -2.116  -8.308 -11.876
  584   3HB   ALA  80          3HB       ALA  80  -0.560  -8.167 -12.697
  585    H    LEU  81           H        LEU  81  -3.986 -10.388 -12.390
  586    HA   LEU  81           HA       LEU  81  -3.300 -12.834 -10.893
  587   1HB   LEU  81          2HB       LEU  81  -5.200 -12.282  -9.715
  588   2HB   LEU  81          1HB       LEU  81  -4.777 -10.695 -10.356
  589    HG   LEU  81           HG       LEU  81  -6.236 -11.590 -12.410
  590   1HD1  LEU  81          1HD1      LEU  81  -6.502 -13.670 -10.748
  591   2HD1  LEU  81          2HD1      LEU  81  -7.792 -13.180 -11.853
  592   3HD1  LEU  81          3HD1      LEU  81  -7.844 -12.684 -10.159
  593   1HD2  LEU  81          1HD2      LEU  81  -7.998 -10.207 -11.522
  594   2HD2  LEU  81          2HD2      LEU  81  -6.461  -9.530 -10.970
  595   3HD2  LEU  81          3HD2      LEU  81  -7.455 -10.490  -9.865
  596    H    GLU  82           H        GLU  82  -4.882 -11.903 -13.877
  597    HA   GLU  82           HA       GLU  82  -6.369 -14.356 -14.263
  598   1HB   GLU  82          2HB       GLU  82  -6.394 -11.891 -15.339
  599   2HB   GLU  82          1HB       GLU  82  -5.410 -12.709 -16.552
  600   1HG   GLU  82          2HG       GLU  82  -8.006 -13.901 -15.583
  601   2HG   GLU  82          1HG       GLU  82  -7.971 -12.725 -16.898
  602    H    LYS  83           H        LYS  83  -3.430 -13.122 -15.885
  603    HA   LYS  83           HA       LYS  83  -1.976 -15.586 -15.684
  604   1HB   LYS  83          2HB       LYS  83  -3.749 -16.459 -17.077
  605   2HB   LYS  83          1HB       LYS  83  -3.615 -15.093 -18.185
  606   1HG   LYS  83          2HG       LYS  83  -1.024 -16.194 -18.015
  607   2HG   LYS  83          1HG       LYS  83  -2.119 -17.567 -18.170
  608   1HD   LYS  83          2HD       LYS  83  -3.229 -16.033 -20.033
  609   2HD   LYS  83          1HD       LYS  83  -1.615 -15.322 -20.082
  610   1HE   LYS  83          2HE       LYS  83  -1.384 -17.061 -21.635
  611   2HE   LYS  83          1HE       LYS  83  -0.861 -17.878 -20.148
  612   1HZ   LYS  83          1HZ       LYS  83  -3.241 -18.465 -19.786
  613   2HZ   LYS  83          2HZ       LYS  83  -2.540 -19.224 -21.134
  614   3HZ   LYS  83          3HZ       LYS  83  -3.578 -17.895 -21.347
  615    H    GLU  84           H        GLU  84  -0.925 -13.162 -15.281
  616    HA   GLU  84           HA       GLU  84   1.045 -12.883 -17.427
  617   1HB   GLU  84          2HB       GLU  84  -1.317 -11.595 -17.826
  618   2HB   GLU  84          1HB       GLU  84  -0.423 -10.354 -16.946
  619   1HG   GLU  84          2HG       GLU  84   1.348 -11.526 -18.855
  620   2HG   GLU  84          1HG       GLU  84  -0.149 -11.103 -19.687
  621    HA   PRO  85           HA       PRO  85   3.140 -11.424 -13.812
  622   1HB   PRO  85          2HB       PRO  85   5.537 -10.886 -15.000
  623   2HB   PRO  85          1HB       PRO  85   4.988 -12.537 -14.659
  624   1HG   PRO  85          2HG       PRO  85   5.055 -11.061 -17.223
  625   2HG   PRO  85          1HG       PRO  85   5.254 -12.789 -16.906
  626   1HD   PRO  85          2HD       PRO  85   2.948 -11.576 -17.878
  627   2HD   PRO  85          1HD       PRO  85   3.039 -13.194 -17.148
  628    H    VAL  86           H        VAL  86   4.427  -9.385 -13.196
  629    HA   VAL  86           HA       VAL  86   3.412  -7.023 -14.744
  630    HB   VAL  86           HB       VAL  86   3.947  -7.574 -11.813
  631   1HG1  VAL  86          1HG1      VAL  86   3.670  -5.277 -11.297
  632   2HG1  VAL  86          2HG1      VAL  86   3.112  -4.894 -12.925
  633   3HG1  VAL  86          3HG1      VAL  86   4.807  -5.289 -12.644
  634   1HG2  VAL  86          1HG2      VAL  86   1.745  -8.108 -12.037
  635   2HG2  VAL  86          2HG2      VAL  86   1.600  -7.255 -13.574
  636   3HG2  VAL  86          3HG2      VAL  86   1.501  -6.361 -12.058
  637    HA   PRO  87           HA       PRO  87   7.686  -6.061 -15.176
  638   1HB   PRO  87          2HB       PRO  87   7.476  -3.446 -15.955
  639   2HB   PRO  87          1HB       PRO  87   7.046  -4.808 -17.006
  640   1HG   PRO  87          2HG       PRO  87   5.310  -2.883 -15.655
  641   2HG   PRO  87          1HG       PRO  87   4.975  -3.931 -17.038
  642   1HD   PRO  87          2HD       PRO  87   4.217  -4.307 -14.306
  643   2HD   PRO  87          1HD       PRO  87   3.871  -5.365 -15.692
  644    H    MET  88           H        MET  88   9.041  -3.740 -14.611
  645    HA   MET  88           HA       MET  88   8.489  -3.339 -11.687
  646   1HB   MET  88          2HB       MET  88  11.088  -3.514 -13.231
  647   2HB   MET  88          1HB       MET  88  10.963  -3.220 -11.497
  648   1HG   MET  88          2HG       MET  88  10.432  -5.392 -11.033
  649   2HG   MET  88          1HG       MET  88   9.464  -5.570 -12.494
  650   1HE   MET  88          1HE       MET  88  12.804  -6.020 -10.744
  651   2HE   MET  88          2HE       MET  88  13.332  -7.404 -11.699
  652   3HE   MET  88          3HE       MET  88  11.739  -7.419 -10.949
  653    H    SER  89           H        SER  89   8.139  -1.673 -14.461
  654    HA   SER  89           HA       SER  89   8.482   0.891 -13.129
  655   1HB   SER  89          2HB       SER  89  10.634  -0.318 -14.605
  656   2HB   SER  89          1HB       SER  89  10.159   1.197 -15.363
  657    HG   SER  89           HG       SER  89  11.749   1.365 -13.630
  658    H    LEU  90           H        LEU  90   6.634  -0.725 -14.830
  659    HA   LEU  90           HA       LEU  90   4.955  -0.275 -16.441
  660   1HB   LEU  90          2HB       LEU  90   5.703   2.108 -15.000
  661   2HB   LEU  90          1HB       LEU  90   5.216   2.536 -16.640
  662    HG   LEU  90           HG       LEU  90   3.577   0.639 -14.967
  663   1HD1  LEU  90          1HD1      LEU  90   2.142   2.780 -14.609
  664   2HD1  LEU  90          2HD1      LEU  90   3.636   3.652 -14.949
  665   3HD1  LEU  90          3HD1      LEU  90   3.554   2.544 -13.581
  666   1HD2  LEU  90          1HD2      LEU  90   3.174   2.319 -17.438
  667   2HD2  LEU  90          2HD2      LEU  90   1.800   1.729 -16.502
  668   3HD2  LEU  90          3HD2      LEU  90   2.926   0.586 -17.231
  669    HA   PRO  91           HA       PRO  91   7.481  -0.010 -20.134
  670   1HB   PRO  91          2HB       PRO  91   5.490  -0.821 -21.844
  671   2HB   PRO  91          1HB       PRO  91   6.437  -1.947 -20.852
  672   1HG   PRO  91          2HG       PRO  91   3.715  -0.846 -20.383
  673   2HG   PRO  91          1HG       PRO  91   4.325  -2.483 -20.113
  674   1HD   PRO  91          2HD       PRO  91   3.987  -0.689 -18.111
  675   2HD   PRO  91          1HD       PRO  91   5.248  -1.942 -18.080
  676    HA   PRO  92           HA       PRO  92   6.311   3.818 -21.907
  677   1HB   PRO  92          2HB       PRO  92   6.519   3.474 -24.615
  678   2HB   PRO  92          1HB       PRO  92   7.921   3.567 -23.531
  679   1HG   PRO  92          2HG       PRO  92   6.612   1.180 -24.733
  680   2HG   PRO  92          1HG       PRO  92   8.330   1.511 -24.464
  681   1HD   PRO  92          2HD       PRO  92   6.849  -0.120 -22.863
  682   2HD   PRO  92          1HD       PRO  92   8.264   0.789 -22.292
  683    H    ALA  93           H        ALA  93   4.400   1.091 -23.041
  684    HA   ALA  93           HA       ALA  93   2.358   2.872 -24.251
  685   1HB   ALA  93          1HB       ALA  93   1.455   0.201 -24.066
  686   2HB   ALA  93          2HB       ALA  93   3.192   0.103 -24.378
  687   3HB   ALA  93          3HB       ALA  93   2.147   0.993 -25.486
  688    H    LEU  94           H        LEU  94   3.084   1.778 -21.153
  689    HA   LEU  94           HA       LEU  94   0.208   1.642 -20.343
  690   1HB   LEU  94          2HB       LEU  94   2.822   0.740 -19.108
  691   2HB   LEU  94          1HB       LEU  94   1.289   0.666 -18.251
  692    HG   LEU  94           HG       LEU  94   2.125  -1.455 -19.481
  693   1HD1  LEU  94          1HD1      LEU  94   0.041  -1.823 -18.729
  694   2HD1  LEU  94          2HD1      LEU  94  -0.402  -1.657 -20.420
  695   3HD1  LEU  94          3HD1      LEU  94  -0.587  -0.282 -19.325
  696   1HD2  LEU  94          1HD2      LEU  94   2.573  -0.202 -21.649
  697   2HD2  LEU  94          2HD2      LEU  94   0.827  -0.085 -21.842
  698   3HD2  LEU  94          3HD2      LEU  94   1.600  -1.664 -21.810
  699    H    VAL  95           H        VAL  95   2.334   4.024 -20.723
  700    HA   VAL  95           HA       VAL  95   1.675   5.339 -18.102
  701    HB   VAL  95           HB       VAL  95   4.024   5.919 -19.929
  702   1HG1  VAL  95          1HG1      VAL  95   4.954   6.762 -17.715
  703   2HG1  VAL  95          2HG1      VAL  95   3.332   6.563 -17.054
  704   3HG1  VAL  95          3HG1      VAL  95   3.613   7.696 -18.375
  705   1HG2  VAL  95          1HG2      VAL  95   3.738   3.488 -18.793
  706   2HG2  VAL  95          2HG2      VAL  95   4.395   4.362 -17.413
  707   3HG2  VAL  95          3HG2      VAL  95   5.303   4.288 -18.921
  708    HA   PRO  96           HA       PRO  96  -0.460   8.289 -20.604
  709   1HB   PRO  96          2HB       PRO  96  -0.592  10.325 -18.777
  710   2HB   PRO  96          1HB       PRO  96  -1.613   8.874 -18.686
  711   1HG   PRO  96          2HG       PRO  96   0.868   9.541 -17.181
  712   2HG   PRO  96          1HG       PRO  96  -0.608   8.736 -16.625
  713   1HD   PRO  96          2HD       PRO  96   1.686   7.403 -17.233
  714   2HD   PRO  96          1HD       PRO  96   0.068   6.684 -17.387
  715    HA   PRO  97           HA       PRO  97   2.477  11.117 -22.229
  716   1HB   PRO  97          2HB       PRO  97   1.065  13.435 -22.584
  717   2HB   PRO  97          1HB       PRO  97   0.823  11.990 -23.589
  718   1HG   PRO  97          2HG       PRO  97  -0.788  12.989 -21.290
  719   2HG   PRO  97          1HG       PRO  97  -1.324  12.251 -22.809
  720   1HD   PRO  97          2HD       PRO  97  -1.205  10.896 -20.450
  721   2HD   PRO  97          1HD       PRO  97  -1.012  10.116 -22.035
  722    H    SER  98           H        SER  98   1.309  11.585 -19.121
  723    HA   SER  98           HA       SER  98   2.626  14.169 -18.622
  724   1HB   SER  98          2HB       SER  98   1.952  13.459 -16.218
  725   2HB   SER  98          1HB       SER  98   0.650  13.735 -17.372
  726    HG   SER  98           HG       SER  98   0.515  11.731 -16.161
  727    H    LYS  99           H        LYS  99   3.313  10.754 -18.269
  728    HA   LYS  99           HA       LYS  99   5.845  11.336 -16.814
  729   1HB   LYS  99          2HB       LYS  99   3.888   9.311 -16.796
  730   2HB   LYS  99          1HB       LYS  99   5.309   8.573 -17.534
  731   1HG   LYS  99          2HG       LYS  99   6.684   9.388 -15.621
  732   2HG   LYS  99          1HG       LYS  99   5.216  10.012 -14.867
  733   1HD   LYS  99          2HD       LYS  99   5.411   7.913 -13.860
  734   2HD   LYS  99          1HD       LYS  99   4.327   7.567 -15.208
  735   1HE   LYS  99          2HE       LYS  99   5.815   6.011 -15.915
  736   2HE   LYS  99          1HE       LYS  99   6.968   7.323 -16.227
  737   1HZ   LYS  99          1HZ       LYS  99   7.929   7.105 -14.175
  738   2HZ   LYS  99          2HZ       LYS  99   7.516   5.483 -14.469
  739   3HZ   LYS  99          3HZ       LYS  99   6.541   6.441 -13.459
  740    H    ARG 100           H        ARG 100   5.022  11.723 -19.842
  741    HA   ARG 100           HA       ARG 100   6.596   9.932 -21.413
  742   1HB   ARG 100          2HB       ARG 100   5.155  12.468 -21.661
  743   2HB   ARG 100          1HB       ARG 100   6.532  12.355 -22.758
  744   1HG   ARG 100          2HG       ARG 100   4.244  11.417 -23.564
  745   2HG   ARG 100          1HG       ARG 100   5.683  10.434 -23.824
  746   1HD   ARG 100          2HD       ARG 100   5.151   8.988 -21.992
  747   2HD   ARG 100          1HD       ARG 100   3.934  10.116 -21.369
  748    HE   ARG 100           HE       ARG 100   2.457   9.450 -23.141
  749   1HH1  ARG 100          1HH2      ARG 100   5.664   8.499 -23.853
  750   2HH1  ARG 100          2HH2      ARG 100   5.202   7.138 -24.819
  751   1HH2  ARG 100          2HH1      ARG 100   1.814   7.489 -24.169
  752   2HH2  ARG 100          1HH1      ARG 100   3.023   6.566 -24.998
  753    H    SER 107           1H       SER 107   6.402   4.833   5.862
  754    HA   SER 107           HA       SER 107   6.772   2.902   4.374
  755   1HB   SER 107          2HB       SER 107   4.206   3.678   5.711
  756   2HB   SER 107          1HB       SER 107   4.273   2.134   4.865
  757    HG   SER 107           HG       SER 107   6.091   3.034   6.858
  758    H    THR 108           H        THR 108   7.031   3.925   2.139
  759    HA   THR 108           HA       THR 108   4.765   4.563   0.495
  760    HB   THR 108           HB       THR 108   6.782   3.679  -1.185
  761    HG1  THR 108           HG1      THR 108   8.550   4.803   0.226
  762   1HG2  THR 108          1HG2      THR 108   5.709   5.876  -1.261
  763   2HG2  THR 108          2HG2      THR 108   7.461   6.069  -1.217
  764   3HG2  THR 108          3HG2      THR 108   6.508   6.339   0.241
  765    H    ASN 109           H        ASN 109   3.673   3.254  -1.049
  766    HA   ASN 109           HA       ASN 109   2.748   1.262  -1.911
  767   1HB   ASN 109          2HB       ASN 109   5.253   1.137  -2.475
  768   2HB   ASN 109          1HB       ASN 109   5.392   0.030  -1.107
  769   1HD2  ASN 109          1HD2      ASN 109   2.801   0.366  -3.577
  770   2HD2  ASN 109          2HD2      ASN 109   2.893  -1.234  -4.121
  771    HA   PRO 110           HA       PRO 110   1.600  -0.084   2.314
  772   1HB   PRO 110          2HB       PRO 110  -1.055  -0.360   1.684
  773   2HB   PRO 110          1HB       PRO 110  -0.324   1.191   2.144
  774   1HG   PRO 110          2HG       PRO 110  -0.941   0.126  -0.575
  775   2HG   PRO 110          1HG       PRO 110  -1.190   1.754   0.080
  776   1HD   PRO 110          2HD       PRO 110   0.891   1.165  -1.525
  777   2HD   PRO 110          1HD       PRO 110   1.014   2.357  -0.213
  778    H    PHE 111           H        PHE 111   2.113  -1.735  -0.494
  779    HA   PHE 111           HA       PHE 111   0.593  -4.172   0.287
  780   1HB   PHE 111          2HB       PHE 111   2.320  -3.671  -2.153
  781   2HB   PHE 111          1HB       PHE 111   1.054  -4.886  -1.966
  782    HD1  PHE 111           HD1      PHE 111   1.694  -1.226  -2.163
  783    HD2  PHE 111           HD2      PHE 111  -1.259  -4.346  -2.338
  784    HE1  PHE 111           HE1      PHE 111   0.002   0.410  -2.924
  785    HE2  PHE 111           HE2      PHE 111  -2.941  -2.700  -3.097
  786    HZ   PHE 111           HZ       PHE 111  -2.310  -0.322  -3.385
  787    H    ARG 112           HN       ARG 112   3.929  -3.210  -0.560
  788    HA   ARG 112           HA       ARG 112   5.261  -5.616  -0.002
  789   1HB   ARG 112          2HB       ARG 112   5.854  -2.719  -0.034
  790   2HB   ARG 112          1HB       ARG 112   6.986  -3.690   0.909
  791   1HG   ARG 112          2HG       ARG 112   7.532  -5.058  -0.962
  792   2HG   ARG 112          1HG       ARG 112   6.160  -4.459  -1.893
  793   1HD   ARG 112          2HD       ARG 112   7.707  -2.185  -1.139
  794   2HD   ARG 112          1HD       ARG 112   8.821  -3.395  -1.809
  795    HE   ARG 112           HE       ARG 112   6.320  -3.063  -3.317
  796   1HH1  ARG 112          1HH2      ARG 112   9.459  -1.780  -2.758
  797   2HH1  ARG 112          2HH2      ARG 112   9.743  -1.384  -4.419
  798   1HH2  ARG 112          1HH1      ARG 112   6.738  -2.717  -5.526
  799   2HH2  ARG 112          2HH1      ARG 112   8.202  -1.914  -5.988
  Start of MODEL   16
    1    HA   PRO   6           HA       PRO   6  -2.321   6.225 -27.340
    2   1HB   PRO   6          2HB       PRO   6  -4.415   4.575 -26.719
    3   2HB   PRO   6          1HB       PRO   6  -4.237   5.355 -28.304
    4   1HG   PRO   6          2HG       PRO   6  -3.629   2.559 -27.493
    5   2HG   PRO   6          1HG       PRO   6  -4.308   3.174 -29.007
    6   1HD   PRO   6          2HD       PRO   6  -1.695   2.417 -28.701
    7   2HD   PRO   6          1HD       PRO   6  -2.251   3.601 -29.905
    8    H    TRP   7           H        TRP   7  -3.695   5.693 -25.066
    9    HA   TRP   7           HA       TRP   7  -1.644   5.111 -23.115
   10   1HB   TRP   7          2HB       TRP   7  -3.549   6.686 -22.838
   11   2HB   TRP   7          1HB       TRP   7  -4.665   5.322 -22.874
   12    HD1  TRP   7           HD1      TRP   7  -1.462   4.587 -21.150
   13    HE1  TRP   7           HE1      TRP   7  -1.814   4.521 -18.596
   14    HE3  TRP   7           HE3      TRP   7  -6.162   6.548 -20.866
   15    HZ2  TRP   7           HZ2      TRP   7  -3.828   5.212 -16.686
   16    HZ3  TRP   7           HZ3      TRP   7  -7.274   6.835 -18.670
   17    HH2  TRP   7           HH2      TRP   7  -6.115   6.170 -16.582
   18    H    ALA   8           H        ALA   8  -1.047   3.096 -22.389
   19    HA   ALA   8           HA       ALA   8  -1.873   0.625 -23.300
   20   1HB   ALA   8          1HB       ALA   8   0.015   1.003 -21.783
   21   2HB   ALA   8          2HB       ALA   8  -1.061  -0.208 -21.079
   22   3HB   ALA   8          3HB       ALA   8  -1.097   1.452 -20.484
   23    H    VAL   9           H        VAL   9  -3.554   2.709 -21.031
   24    HA   VAL   9           HA       VAL   9  -5.566   0.609 -20.419
   25    HB   VAL   9           HB       VAL   9  -4.857   3.362 -19.407
   26   1HG1  VAL   9          1HG1      VAL   9  -7.084   3.736 -19.111
   27   2HG1  VAL   9          2HG1      VAL   9  -6.926   2.581 -17.788
   28   3HG1  VAL   9          3HG1      VAL   9  -7.498   2.041 -19.365
   29   1HG2  VAL   9          1HG2      VAL   9  -3.630   1.616 -18.350
   30   2HG2  VAL   9          2HG2      VAL   9  -5.049   0.573 -18.255
   31   3HG2  VAL   9          3HG2      VAL   9  -4.933   2.000 -17.225
   32    H    LYS  10           H        LYS  10  -7.517   0.577 -21.512
   33    HA   LYS  10           HA       LYS  10  -8.003   2.622 -23.585
   34   1HB   LYS  10          2HB       LYS  10  -8.900  -0.116 -22.846
   35   2HB   LYS  10          1HB       LYS  10 -10.067   0.872 -23.727
   36   1HG   LYS  10          2HG       LYS  10  -8.567  -0.493 -25.218
   37   2HG   LYS  10          1HG       LYS  10  -8.484   1.243 -25.525
   38   1HD   LYS  10          2HD       LYS  10  -6.391   1.458 -24.469
   39   2HD   LYS  10          1HD       LYS  10  -6.571  -0.067 -23.601
   40   1HE   LYS  10          2HE       LYS  10  -6.513  -0.070 -26.614
   41   2HE   LYS  10          1HE       LYS  10  -4.996  -0.013 -25.693
   42   1HZ   LYS  10          1HZ       LYS  10  -7.182  -1.997 -25.335
   43   2HZ   LYS  10          2HZ       LYS  10  -5.768  -1.915 -24.394
   44   3HZ   LYS  10          3HZ       LYS  10  -5.673  -2.303 -26.047
   45    HA   PRO  11           HA       PRO  11 -11.180   4.856 -21.544
   46   1HB   PRO  11          2HB       PRO  11 -13.280   4.811 -23.312
   47   2HB   PRO  11          1HB       PRO  11 -11.822   5.794 -23.562
   48   1HG   PRO  11          2HG       PRO  11 -12.539   3.139 -24.720
   49   2HG   PRO  11          1HG       PRO  11 -11.794   4.542 -25.502
   50   1HD   PRO  11          2HD       PRO  11 -10.347   2.409 -24.725
   51   2HD   PRO  11          1HD       PRO  11  -9.693   4.062 -24.674
   52    H    GLU  12           H        GLU  12 -12.197   1.753 -22.903
   53    HA   GLU  12           HA       GLU  12 -14.518   1.466 -21.143
   54   1HB   GLU  12          2HB       GLU  12 -13.081  -0.771 -22.569
   55   2HB   GLU  12          1HB       GLU  12 -14.814  -0.559 -22.316
   56   1HG   GLU  12          2HG       GLU  12 -14.426   1.619 -23.776
   57   2HG   GLU  12          1HG       GLU  12 -13.022   0.717 -24.347
   58    H    ASP  13           H        ASP  13 -11.117   0.603 -21.096
   59    HA   ASP  13           HA       ASP  13 -11.348  -1.228 -18.820
   60   1HB   ASP  13          2HB       ASP  13  -9.260  -0.109 -20.625
   61   2HB   ASP  13          1HB       ASP  13  -8.715  -0.635 -19.030
   62    H    LYS  14           H        LYS  14 -10.533   2.152 -19.406
   63    HA   LYS  14           HA       LYS  14  -9.676   2.674 -16.668
   64   1HB   LYS  14          2HB       LYS  14  -9.037   3.880 -18.850
   65   2HB   LYS  14          1HB       LYS  14 -10.622   4.647 -18.754
   66   1HG   LYS  14          2HG       LYS  14  -9.555   4.926 -16.183
   67   2HG   LYS  14          1HG       LYS  14  -8.201   5.257 -17.265
   68   1HD   LYS  14          2HD       LYS  14  -9.491   6.934 -18.456
   69   2HD   LYS  14          1HD       LYS  14 -10.938   6.531 -17.534
   70   1HE   LYS  14          2HE       LYS  14 -10.313   7.911 -15.850
   71   2HE   LYS  14          1HE       LYS  14  -8.714   7.146 -15.756
   72   1HZ   LYS  14          1HZ       LYS  14  -9.433   8.966 -17.974
   73   2HZ   LYS  14          2HZ       LYS  14  -7.886   8.484 -17.461
   74   3HZ   LYS  14          3HZ       LYS  14  -8.798   9.565 -16.519
   75    H    ALA  15           H        ALA  15 -12.664   2.439 -18.347
   76    HA   ALA  15           HA       ALA  15 -14.239   4.188 -16.628
   77   1HB   ALA  15          1HB       ALA  15 -14.767   2.036 -18.682
   78   2HB   ALA  15          2HB       ALA  15 -15.078   3.767 -18.807
   79   3HB   ALA  15          3HB       ALA  15 -16.094   2.761 -17.775
   80    H    LYS  16           H        LYS  16 -13.462   0.727 -16.765
   81    HA   LYS  16           HA       LYS  16 -15.195   0.047 -14.518
   82   1HB   LYS  16          2HB       LYS  16 -14.585  -2.107 -15.079
   83   2HB   LYS  16          1HB       LYS  16 -14.147  -1.306 -16.585
   84   1HG   LYS  16          2HG       LYS  16 -11.831  -1.095 -15.830
   85   2HG   LYS  16          1HG       LYS  16 -12.255  -1.828 -14.284
   86   1HD   LYS  16          2HD       LYS  16 -12.952  -3.327 -16.772
   87   2HD   LYS  16          1HD       LYS  16 -11.260  -3.299 -16.278
   88   1HE   LYS  16          2HE       LYS  16 -11.728  -4.925 -14.770
   89   2HE   LYS  16          1HE       LYS  16 -12.802  -3.789 -13.929
   90   1HZ   LYS  16          1HZ       LYS  16 -14.122  -5.623 -14.644
   91   2HZ   LYS  16          2HZ       LYS  16 -13.490  -5.551 -16.218
   92   3HZ   LYS  16          3HZ       LYS  16 -14.501  -4.310 -15.648
   93    H    TYR  17           H        TYR  17 -11.976   1.224 -14.994
   94    HA   TYR  17           HA       TYR  17 -10.928   0.477 -12.368
   95   1HB   TYR  17          2HB       TYR  17 -10.077   2.541 -14.434
   96   2HB   TYR  17          1HB       TYR  17  -9.091   1.982 -13.086
   97    HD1  TYR  17           HD1      TYR  17  -7.898   1.721 -15.665
   98    HD2  TYR  17           HD2      TYR  17 -10.739  -0.880 -13.771
   99    HE1  TYR  17           HE1      TYR  17  -7.064  -0.175 -17.030
  100    HE2  TYR  17           HE2      TYR  17  -9.913  -2.776 -15.139
  101    HH   TYR  17           HH       TYR  17  -7.673  -2.306 -17.775
  102    H    ASP  18           H        ASP  18 -12.498   3.260 -13.870
  103    HA   ASP  18           HA       ASP  18 -12.111   5.093 -11.657
  104   1HB   ASP  18          2HB       ASP  18 -12.581   5.744 -14.000
  105   2HB   ASP  18          1HB       ASP  18 -14.167   4.979 -13.895
  106    H    ALA  19           H        ALA  19 -14.308   2.467 -12.256
  107    HA   ALA  19           HA       ALA  19 -16.353   3.397 -10.358
  108   1HB   ALA  19          1HB       ALA  19 -15.780   0.968 -12.044
  109   2HB   ALA  19          2HB       ALA  19 -17.204   2.009 -12.050
  110   3HB   ALA  19          3HB       ALA  19 -16.969   0.845 -10.747
  111    H    ILE  20           H        ILE  20 -13.513   1.320 -10.411
  112    HA   ILE  20           HA       ILE  20 -13.941   0.237  -7.735
  113    HB   ILE  20           HB       ILE  20 -11.673   0.305  -9.747
  114   1HG1  ILE  20          2HG1      ILE  20 -13.312  -2.038  -8.746
  115   2HG1  ILE  20          1HG1      ILE  20 -13.780  -1.083 -10.154
  116   1HG2  ILE  20          1HG2      ILE  20 -10.399  -1.115  -8.331
  117   2HG2  ILE  20          2HG2      ILE  20 -11.755  -1.359  -7.230
  118   3HG2  ILE  20          3HG2      ILE  20 -10.946   0.206  -7.300
  119   1HD1  ILE  20          1HD1      ILE  20 -10.994  -2.192  -9.975
  120   2HD1  ILE  20          2HD1      ILE  20 -11.936  -1.780 -11.408
  121   3HD1  ILE  20          3HD1      ILE  20 -12.316  -3.238 -10.489
  122    H    PHE  21           H        PHE  21 -12.290   2.919  -9.278
  123    HA   PHE  21           HA       PHE  21 -10.701   3.705  -6.990
  124   1HB   PHE  21          2HB       PHE  21  -9.811   4.593  -8.907
  125   2HB   PHE  21          1HB       PHE  21 -11.370   4.621  -9.723
  126    HD1  PHE  21           HD1      PHE  21  -8.863   6.582  -8.091
  127    HD2  PHE  21           HD2      PHE  21 -13.068   6.428  -8.955
  128    HE1  PHE  21           HE1      PHE  21  -9.035   9.022  -7.685
  129    HE2  PHE  21           HE2      PHE  21 -13.241   8.867  -8.546
  130    HZ   PHE  21           HZ       PHE  21 -11.226  10.165  -7.911
  131    H    ASP  22           H        ASP  22 -13.884   4.518  -8.266
  132    HA   ASP  22           HA       ASP  22 -14.374   6.510  -6.130
  133   1HB   ASP  22          2HB       ASP  22 -15.166   7.094  -8.282
  134   2HB   ASP  22          1HB       ASP  22 -15.826   5.482  -8.569
  135    H    SER  23           H        SER  23 -14.532   3.179  -6.417
  136    HA   SER  23           HA       SER  23 -17.051   2.746  -4.964
  137   1HB   SER  23          2HB       SER  23 -16.468   1.006  -6.436
  138   2HB   SER  23          1HB       SER  23 -14.757   1.108  -6.029
  139    HG   SER  23           HG       SER  23 -16.749   0.332  -4.168
  140    H    LEU  24           H        LEU  24 -13.813   3.539  -4.244
  141    HA   LEU  24           HA       LEU  24 -13.885   2.433  -1.496
  142   1HB   LEU  24          2HB       LEU  24 -11.779   4.194  -2.747
  143   2HB   LEU  24          1HB       LEU  24 -11.574   2.964  -1.503
  144    HG   LEU  24           HG       LEU  24 -12.476   2.268  -4.301
  145   1HD1  LEU  24          1HD1      LEU  24  -9.722   1.612  -3.781
  146   2HD1  LEU  24          2HD1      LEU  24  -9.965   3.340  -3.553
  147   3HD1  LEU  24          3HD1      LEU  24 -10.392   2.586  -5.090
  148   1HD2  LEU  24          1HD2      LEU  24 -12.092   0.073  -3.661
  149   2HD2  LEU  24          2HD2      LEU  24 -12.558   0.756  -2.102
  150   3HD2  LEU  24          3HD2      LEU  24 -10.853   0.529  -2.492
  151    H    SER  25           H        SER  25 -13.341   5.537  -3.124
  152    HA   SER  25           HA       SER  25 -14.980   7.396  -2.156
  153   1HB   SER  25          2HB       SER  25 -13.376   6.335   0.154
  154   2HB   SER  25          1HB       SER  25 -13.844   8.032   0.145
  155    HG   SER  25           HG       SER  25 -15.688   5.943  -0.346
  156    HA   PRO  26           HA       PRO  26 -11.161   9.124  -3.892
  157   1HB   PRO  26          2HB       PRO  26 -12.435  10.926  -5.502
  158   2HB   PRO  26          1HB       PRO  26 -12.190   9.228  -5.961
  159   1HG   PRO  26          2HG       PRO  26 -14.621  10.572  -4.902
  160   2HG   PRO  26          1HG       PRO  26 -14.476   9.303  -6.127
  161   1HD   PRO  26          2HD       PRO  26 -15.221   8.842  -3.527
  162   2HD   PRO  26          1HD       PRO  26 -14.446   7.627  -4.567
  163    H    VAL  27           H        VAL  27 -10.157  11.140  -3.433
  164    HA   VAL  27           HA       VAL  27 -11.732  12.996  -1.677
  165    HB   VAL  27           HB       VAL  27  -8.796  12.214  -1.625
  166   1HG1  VAL  27          1HG1      VAL  27  -8.484  13.726   0.118
  167   2HG1  VAL  27          2HG1      VAL  27 -10.197  13.752   0.538
  168   3HG1  VAL  27          3HG1      VAL  27  -9.626  14.614  -0.891
  169   1HG2  VAL  27          1HG2      VAL  27  -9.396  10.564  -0.209
  170   2HG2  VAL  27          2HG2      VAL  27 -11.082  10.912  -0.591
  171   3HG2  VAL  27          3HG2      VAL  27 -10.309  11.699   0.786
  172    H    ASN  28           H        ASN  28 -12.255  14.234  -3.645
  173    HA   ASN  28           HA       ASN  28 -11.875  16.147  -4.971
  174   1HB   ASN  28          2HB       ASN  28 -10.375  17.564  -4.014
  175   2HB   ASN  28          1HB       ASN  28 -10.065  16.270  -2.863
  176   1HD2  ASN  28          1HD2      ASN  28  -8.956  17.428  -6.097
  177   2HD2  ASN  28          2HD2      ASN  28  -7.350  16.915  -5.891
  178    H    GLY  29           H        GLY  29 -10.593  13.167  -5.326
  179   1HA   GLY  29          2HA       GLY  29 -10.365  12.510  -7.767
  180   2HA   GLY  29          1HA       GLY  29  -9.244  13.866  -7.901
  181    H    PHE  30           H        PHE  30  -9.311  11.806  -5.056
  182    HA   PHE  30           HA       PHE  30  -6.917  10.322  -6.010
  183   1HB   PHE  30          2HB       PHE  30  -7.019  12.262  -3.694
  184   2HB   PHE  30          1HB       PHE  30  -5.709  11.093  -3.916
  185    HD1  PHE  30           HD1      PHE  30  -7.157  14.234  -5.009
  186    HD2  PHE  30           HD2      PHE  30  -4.351  11.153  -6.027
  187    HE1  PHE  30           HE1