*HEADER    SIGNALING PROTEIN                       12-MAR-18   6COU              
*TITLE     CSP2-E1AD10                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 2;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 25-41;                                        
*COMPND   5 SYNONYM: CSP-2;                                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    PNEUMOCOCCUS, QUORUM SENSING, SIGNALING MOLECULE, CSP, SIGNALING      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   29-AUG-18 6COU    0                                                
# Restraints file 1: CSP2E1Ad10_NOErestraint.tbl
assign (resid   2 and name HA  ) (resid   2 and name HB#  )  2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and (name HG1 or name HG2  )) 2.9  1.0  1.0
assign (resid   2 and name HA  ) (resid   2 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid   2 and name HB#  ) (resid   2 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   2 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   2 and name HB#  ) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   2 and (name HG1 or name HG2  )) (resid   3 and name HN  )  3.3  1.2  1.2
assign (resid   2 and (name HG2 or name HG1  )) (resid   3 and name HN  )  3.2  1.1  1.1
assign (resid   2 and name HB#  ) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   2 and name HB#  ) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HD#  )  2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HD#  )  2.4  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HD#  )  2.5  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HD#  ) (resid   3 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   3 and name HD#  ) (resid   3 and name HN  )  3.3  1.2  1.2
assign (resid   3 and (name HG1 or name HG2  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HG2 or name HG1  )) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and name HA  )  3.0  1.1  1.1
assign (resid   3 and name HA  ) (resid   4 and (name HG12 or name HG11  )) 2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HG1 or name HG2  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and (name HG2# or name HD1#  )) 2.9  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and name HN  )  3.1  1.1  1.1
assign (resid   3 and name HA  ) (resid   5 and name HN  )  3.0  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   5 and name HN  )  3.0  1.1  1.6
assign (resid   3 and (name HG1 or name HG2  )) (resid   5 and name HN  )  3.0  1.1  1.1
assign (resid   3 and name HA  ) (resid   7 and name HD#  )  2.9  1.0  1.0
assign (resid   3 and name HD#  ) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and name HB  )  2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HG11 or name HG12  )) 2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   4 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   4 and name HB  ) (resid   4 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid   4 and name HB  ) (resid   4 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid   4 and name HB  ) (resid   4 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   4 and name HB  ) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   4 and (name HG11 or name HG12  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HG12 or name HG11  )) (resid   4 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   4 and (name HG12 or name HG11  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HG2# or name HD1#  )) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HB  ) (resid   5 and name HA  )  2.8  1.0  1.3
assign (resid   4 and name HB  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HG11 or name HG12  )) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HG12 or name HG11  )) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   4 and (name HG2# or name HD1#  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HA  )  3.3  1.2  1.2
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   4 and (name HG12 or name HG11  )) (resid   7 and name HD#  )  2.7  0.9  0.9
assign (resid   4 and name HN  ) (resid   7 and name HD#  )  2.4  0.8  0.8
assign (resid   4 and name HB  ) (resid   8 and name HD#  )  2.9  1.0  1.0
assign (resid   4 and (name HG11 or name HG12  )) (resid   8 and name HD#  )  2.8  1.0  1.0
assign (resid   5 and name HA  ) (resid   5 and name HB#  )  2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   5 and name HB#  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 3.0  1.0  1.4
assign (resid   5 and name HA  ) (resid   6 and name HN  )  2.8  1.0  1.0
assign (resid   5 and name HN  ) (resid   6 and name HN  )  3.0  1.0  1.0
assign (resid   5 and name HA  ) (resid   7 and name HB  )  3.0  1.0  2.1
assign (resid   5 and name HA  ) (resid   7 and name HN  )  3.2  1.1  1.1
assign (resid   5 and name HN  ) (resid   7 and name HD#  )  3.1  1.1  1.1
assign (resid   5 and name HA  ) (resid   8 and name HB  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   8 and (name HG12 or name HG11  )) 3.0  1.1  1.1
assign (resid   5 and name HA  ) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   5 and name HN  ) (resid   8 and name HD#  )  3.2  1.1  1.1
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HD#  )  2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HG#  )  2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.8  1.0  1.0
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HD#  )  3.0  1.0  1.0
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HE  )  2.3  0.8  0.8
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HG#  )  2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.6  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HD#  )  3.1  1.1  1.1
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HG#  )  2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  2.6  0.9  0.9
assign (resid   6 and name HD#  ) (resid   6 and name HE  )  2.8  1.0  1.0
assign (resid   6 and name HD#  ) (resid   6 and name HG#  )  2.4  0.8  0.8
assign (resid   6 and name HD#  ) (resid   6 and name HN  )  3.0  1.0  1.0
assign (resid   6 and name HE  ) (resid   6 and name HG#  )  2.9  1.0  1.0
assign (resid   6 and name HG#  ) (resid   6 and name HN  )  2.6  0.9  1.1
assign (resid   6 and name HA  ) (resid   7 and name HA  )  3.2  1.1  1.1
assign (resid   6 and name HA  ) (resid   7 and name HD#  )  2.7  0.9  0.9
assign (resid   6 and name HA  ) (resid   7 and name HN  )  2.9  1.0  1.0
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HD#  ) (resid   7 and name HA  )  2.6  0.9  0.9
assign (resid   6 and name HN  ) (resid   7 and name HA  )  2.6  0.9  1.4
assign (resid   6 and name HN  ) (resid   7 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HA  ) (resid   8 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   6 and name HD#  ) (resid   8 and name HA  )  2.7  0.9  3.3
assign (resid   6 and name HD#  ) (resid   8 and (name HG2# or name HD1#  )) 2.5  0.9  2.2
assign (resid   6 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid   6 and name HA  ) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HD#  ) (resid   9 and name HA  )  3.2  1.1  1.5
assign (resid   6 and name HD#  ) (resid   9 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   6 and name HA  ) (resid  10 and name HN  )  3.0  1.0  1.0
assign (resid   6 and name HG#  ) (resid  10 and name HN  )  3.1  1.1  1.1
assign (resid   7 and name HA  ) (resid   7 and name HB  )  2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and (name HG11 or name HG12  )) 2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HB  ) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   7 and name HB  ) (resid   7 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   7 and name HB  ) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HD#  ) (resid   7 and name HN  )  2.7  0.9  0.9
assign (resid   7 and (name HG11 or name HG12  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HG12 or name HG11  )) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HG2# or name HD1#  )) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid   8 and (name HG2# or name HD1#  )) 2.4  0.8  1.4
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   7 and name HB  ) (resid   8 and name HA  )  3.0  1.1  1.1
assign (resid   7 and name HB  ) (resid   8 and name HD#  )  2.8  1.0  1.0
assign (resid   7 and name HB  ) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   7 and name HD#  ) (resid   8 and name HA  )  2.8  1.0  2.6
assign (resid   7 and (name HG12 or name HG11  )) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   7 and name HN  ) (resid   8 and name HA  )  3.1  1.1  1.1
assign (resid   7 and name HN  ) (resid   8 and name HB  )  3.0  1.0  1.0
assign (resid   7 and name HN  ) (resid   8 and name HD#  )  3.0  1.1  1.1
assign (resid   7 and name HN  ) (resid   8 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   7 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 3.7  1.3  1.3
assign (resid   7 and (name HG11 or name HG12  )) (resid   9 and (name HB2 or name HB1  )) 2.5  0.9  2.4
assign (resid   7 and (name HG11 or name HG12  )) (resid   9 and (name HD1# or name HD2#  )) 2.4  0.8  2.7
assign (resid   7 and name HN  ) (resid   9 and name HN  )  3.2  1.1  1.1
assign (resid   7 and name HA  ) (resid  10 and name HA  )  2.8  1.0  1.0
assign (resid   7 and name HA  ) (resid  10 and name HN  )  2.9  1.0  1.0
assign (resid   7 and name HB  ) (resid  10 and name HN  )  3.3  1.2  1.2
assign (resid   7 and name HD#  ) (resid  10 and (name HB1 or name HB2  )) 2.8  1.0  3.1
assign (resid   7 and name HA  ) (resid  11 and name HN  )  2.7  0.9  1.3
assign (resid   8 and name HA  ) (resid   8 and name HB  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HD#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   8 and name HB  ) (resid   8 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid   8 and name HB  ) (resid   8 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   8 and name HB  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   8 and name HD#  ) (resid   8 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid   8 and name HD#  ) (resid   8 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   8 and name HD#  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   8 and (name HG12 or name HG11  )) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   8 and (name HG2# or name HD1#  )) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   8 and name HB  ) (resid   9 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   8 and (name HG12 or name HG11  )) (resid   9 and name HN  )  3.0  1.0  1.0
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   8 and name HA  ) (resid  10 and name HA  )  3.4  1.2  1.5
assign (resid   8 and name HA  ) (resid  10 and name HN  )  3.2  1.1  1.1
assign (resid   8 and name HB  ) (resid  10 and name HN  )  3.1  1.1  1.3
assign (resid   8 and name HA  ) (resid  11 and name HA  )  3.0  1.0  1.7
assign (resid   8 and name HA  ) (resid  11 and name HE#  )  2.9  1.0  1.0
assign (resid   8 and name HA  ) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid   8 and (name HG2# or name HD1#  )) (resid  11 and name HB#  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and (name HB2 or name HB1  )) 3.0  1.1  1.9
assign (resid   8 and name HA  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid   8 and (name HG12 or name HG11  )) (resid  12 and name HN  )  3.0  1.0  2.6
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and (name HD1# or name HD2#  )) 2.2  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  10 and name HA  )  3.1  1.1  1.6
assign (resid   9 and name HA  ) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and (name HB2 or name HB1  )) 3.1  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid  10 and name HA  )  2.6  0.9  1.2
assign (resid   9 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid   9 and (name HD1# or name HD2#  )) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HN  ) (resid  10 and (name HB1 or name HB2  )) 2.8  1.0  1.3
assign (resid   9 and name HA  ) (resid  11 and name HB#  )  2.7  0.9  1.6
assign (resid   9 and name HA  ) (resid  11 and name HE#  )  3.2  1.1  1.1
assign (resid   9 and name HA  ) (resid  11 and name HN  )  3.1  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid   9 and (name HD1# or name HD2#  )) (resid  11 and name HE#  )  2.7  0.9  1.2
assign (resid   9 and (name HD1# or name HD2#  )) (resid  11 and name HN  )  2.7  0.9  1.1
assign (resid   9 and name HA  ) (resid  12 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid  12 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HG  )  2.8  1.0  1.0
assign (resid   9 and name HA  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid  12 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.4  0.8  1.3
assign (resid   9 and (name HB2 or name HB1  )) (resid  12 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid  12 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   9 and (name HD1# or name HD2#  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and name HE#  )  2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid  13 and name HN  )  3.0  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and name HE#  )  2.9  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and name HZ  )  2.8  1.0  1.0
assign (resid   9 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  3.0  1.0  1.0
assign (resid   9 and (name HB2 or name HB1  )) (resid  13 and name HZ  )  3.0  1.1  1.1
assign (resid   9 and (name HD1# or name HD2#  )) (resid  13 and name HA  )  3.2  1.1  2.2
assign (resid   9 and name HN  ) (resid  13 and name HZ  )  3.3  1.2  1.7
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  3.0  1.0  1.0
assign (resid  10 and name HN  ) (resid  11 and name HB#  )  2.9  1.0  1.0
assign (resid  10 and name HN  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  12 and name HN  )  2.7  0.9  1.5
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and (name HD1# or name HD2#  )) 2.6  0.9  1.7
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and (name HD1# or name HD2#  )) 2.7  0.9  1.5
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and name HN  )  3.1  1.1  1.1
assign (resid  10 and name HN  ) (resid  12 and (name HD2# or name HD1#  )) 3.1  1.1  1.1
assign (resid  10 and name HN  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  13 and name HN  )  2.8  1.0  2.4
assign (resid  10 and (name HB2 or name HB1  )) (resid  13 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  3.0  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.9  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  14 and (name HB1 or name HB2  )) 3.1  1.1  1.1
assign (resid  10 and (name HB2 or name HB1  )) (resid  14 and name HG  )  2.9  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and name HB#  )  2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  2.6  0.9  2.0
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  11 and name HB#  ) (resid  11 and name HE#  )  2.5  0.9  0.9
assign (resid  11 and name HB#  ) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  11 and name HN  )  2.8  1.0  1.5
assign (resid  11 and name HA  ) (resid  12 and (name HD2# or name HD1#  )) 3.1  1.1  1.6
assign (resid  11 and name HA  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HB#  ) (resid  12 and (name HB1 or name HB2  )) 2.7  0.9  1.6
assign (resid  11 and name HB#  ) (resid  12 and (name HD2# or name HD1#  )) 2.5  0.9  2.0
assign (resid  11 and name HB#  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and name HA  )  2.8  1.0  1.0
assign (resid  11 and name HE#  ) (resid  12 and (name HB1 or name HB2  )) 2.7  0.9  1.1
assign (resid  11 and name HE#  ) (resid  12 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  11 and name HE#  ) (resid  12 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and name HG  )  3.2  1.1  1.1
assign (resid  11 and name HE#  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  11 and name HN  ) (resid  12 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and (name HD2# or name HD1#  )) 3.0  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  13 and name HN  )  3.0  1.1  1.1
assign (resid  11 and name HE#  ) (resid  14 and (name HB1 or name HB2  )) 3.0  1.0  1.8
assign (resid  11 and name HE#  ) (resid  15 and name HA  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  15 and name HD#  )  2.8  1.0  1.0
assign (resid  11 and name HE#  ) (resid  15 and name HG#  )  3.0  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HG  )  2.5  0.9  1.1
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HG  )  2.6  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and (name HD2# or name HD1#  )) 2.3  0.8  0.8
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HG  )  2.4  0.8  0.8
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and (name HD2# or name HD1#  )) (resid  12 and name HG  )  2.4  0.8  0.8
assign (resid  12 and (name HD2# or name HD1#  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HG  ) (resid  12 and name HN  )  2.6  0.9  1.2
assign (resid  12 and name HA  ) (resid  13 and name HE#  )  3.2  1.1  2.3
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HE#  )  3.2  1.1  1.1
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HZ  )  3.2  1.1  1.4
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  3.1  1.1  1.1
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HE#  )  2.6  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HZ  )  2.6  0.9  0.9
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HA  )  3.3  1.2  1.2
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HE#  )  2.9  1.0  1.0
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HZ  )  2.9  1.0  1.0
assign (resid  12 and name HG  ) (resid  13 and name HE#  )  3.0  1.0  1.0
assign (resid  12 and name HG  ) (resid  13 and name HN  )  2.8  1.0  1.5
assign (resid  12 and name HG  ) (resid  13 and name HZ  )  3.2  1.1  1.1
assign (resid  12 and name HN  ) (resid  13 and name HA  )  3.2  1.1  1.7
assign (resid  12 and name HN  ) (resid  13 and name HE#  )  3.1  1.1  1.1
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.4  0.8  1.9
assign (resid  12 and name HA  ) (resid  14 and name HN  )  3.3  1.2  1.2
assign (resid  12 and (name HD1# or name HD2#  )) (resid  14 and name HA  )  2.3  0.8  3.8
assign (resid  12 and (name HD1# or name HD2#  )) (resid  14 and name HG  )  2.5  0.9  3.0
assign (resid  12 and name HA  ) (resid  15 and name HD#  )  2.9  1.0  1.0
assign (resid  12 and name HA  ) (resid  15 and name HG#  )  2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HD1# or name HD2#  )) (resid  15 and name HN  )  5.0  1.8  1.8
assign (resid  12 and (name HD2# or name HD1#  )) (resid  15 and name HD#  )  2.8  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HE#  )  2.6  0.9  1.4
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HZ  )  3.1  1.1  2.3
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HE#  )  2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HZ  )  3.0  1.1  1.6
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  2.6  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HZ  )  3.0  1.0  1.6
assign (resid  13 and name HE#  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  13 and name HN  ) (resid  13 and name HZ  )  3.4  1.2  1.2
assign (resid  13 and name HA  ) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HG  )  2.8  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  13 and name HE#  ) (resid  14 and name HA  )  3.1  1.1  3.9
assign (resid  13 and name HE#  ) (resid  14 and name HG  )  2.7  0.9  2.2
assign (resid  13 and name HE#  ) (resid  14 and name HN  )  3.2  1.1  1.9
assign (resid  13 and name HN  ) (resid  14 and name HA  )  2.8  1.0  1.7
assign (resid  13 and name HN  ) (resid  14 and (name HB1 or name HB2  )) 3.4  1.2  1.2
assign (resid  13 and name HN  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HN  ) (resid  15 and name HN  )  3.2  1.1  1.1
assign (resid  13 and name HA  ) (resid  16 and name HN  )  3.3  1.2  1.2
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HG  )  2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HG  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and name HG  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and (name HB1 or name HB2  )) 2.4  0.8  1.5
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HN  )  3.0  1.1  1.1
assign (resid  14 and name HN  ) (resid  15 and name HA  )  2.8  1.0  1.6
assign (resid  14 and name HN  ) (resid  15 and name HG#  )  2.7  0.9  0.9
assign (resid  14 and name HN  ) (resid  15 and name HN  )  2.7  0.9  0.9
assign (resid  14 and name HN  ) (resid  17 and (name HB1 or name HB2  )) 2.5  0.9  1.1
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HD#  )  2.6  0.9  1.1
assign (resid  15 and name HA  ) (resid  15 and name HG#  )  2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.6  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.3  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HD#  )  2.5  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.7  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and name HE  )  2.9  1.0  1.0
assign (resid  15 and name HD#  ) (resid  15 and name HG#  )  2.4  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid  15 and name HE  ) (resid  15 and name HG#  )  3.1  1.1  1.1
assign (resid  15 and name HG#  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.5  0.9  1.3
assign (resid  15 and name HA  ) (resid  16 and name HG#  )  3.1  1.1  1.1
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  16 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  16 and name HG#  )  2.3  0.8  0.8
assign (resid  15 and name HD#  ) (resid  16 and name HN  )  3.2  1.1  1.1
assign (resid  15 and name HG#  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  15 and name HN  ) (resid  16 and (name HB2 or name HB1  )) 2.6  0.9  2.1
assign (resid  15 and name HN  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  15 and name HD#  ) (resid  17 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  15 and name HN  ) (resid  17 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HD#  )  2.7  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  2.6  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.7  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HD#  ) (resid  16 and name HG#  )  2.6  0.9  0.9
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.7  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  17 and name HG#  )  3.2  1.1  1.1
assign (resid  16 and name HD#  ) (resid  17 and name HG#  )  2.6  0.9  0.9
assign (resid  16 and name HG#  ) (resid  17 and name HN  )  3.0  1.0  1.0
assign (resid  16 and name HN  ) (resid  17 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HD#  )  2.9  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  2.9  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.9  1.0  1.0
# Restraints file 2: CSP2E1Ad10_phi_psi_dihe.tbl
! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name CG   )    1.0  -60.0   30.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name CG   )    1.0  -60.0   30.0 2
! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1   1.104   2.337   2.874
    2    H2   ALA   1           HT2      ALA   1  -0.017   2.434   1.603
    3    H3   ALA   1           HT3      ALA   1  -0.371   1.505   2.981
    4    HA   ALA   1           HA       ALA   1  -1.011   3.228   4.184
    5    HB1  ALA   1           HB1      ALA   1   1.343   4.155   4.242
    6    HB2  ALA   1           HB2      ALA   1   0.110   5.469   4.136
    7    HB3  ALA   1           HB3      ALA   1   1.027   4.971   2.663
    8    H    MET   2           HN       MET   2  -2.238   2.342   1.735
    9    HA   MET   2           HA       MET   2  -3.793   2.945   0.278
   10    HB2  MET   2           HB2      MET   2  -3.989   5.457   2.021
   11    HB3  MET   2           HB1      MET   2  -5.081   5.126   0.629
   12    HG2  MET   2           HG2      MET   2  -5.873   3.052   1.677
   13    HG3  MET   2           HG1      MET   2  -4.703   3.237   3.020
   14    HE1  MET   2           HE1      MET   2  -7.156   6.064   1.256
   15    HE2  MET   2           HE2      MET   2  -8.619   5.464   2.109
   16    HE3  MET   2           HE3      MET   2  -7.648   4.341   1.096
   17    H    ARG   3           HN       ARG   3  -1.469   3.130  -0.901
   18    HA   ARG   3           HA       ARG   3  -1.085   5.842  -1.768
   19    HB2  ARG   3           HB2      ARG   3   0.762   3.921  -1.477
   20    HB3  ARG   3           HB1      ARG   3   0.246   3.515  -3.148
   21    HG2  ARG   3           HG2      ARG   3   0.531   6.274  -3.311
   22    HG3  ARG   3           HG1      ARG   3   1.817   5.848  -2.127
   23    HD2  ARG   3           HD2      ARG   3   2.773   4.187  -3.738
   24    HD3  ARG   3           HD1      ARG   3   1.454   4.587  -4.927
   25    HE   ARG   3           HE       ARG   3   2.841   7.003  -4.090
   26   HH11  ARG   3          HH11      ARG   3   3.140   4.056  -6.066
   27   HH12  ARG   3          HH12      ARG   3   4.204   4.763  -7.236
   28   HH21  ARG   3          HH21      ARG   3   4.282   7.969  -5.684
   29   HH22  ARG   3          HH22      ARG   3   4.863   7.027  -7.014
   30    H    ILE   4           HN       ILE   4  -3.374   5.837  -2.368
   31    HA   ILE   4           HA       ILE   4  -3.570   4.952  -5.149
   32    HB   ILE   4           HB       ILE   4  -6.019   5.120  -4.792
   33   HG12  ILE   4          HG12      ILE   4  -5.180   5.318  -1.843
   34   HG13  ILE   4          HG11      ILE   4  -5.889   6.640  -2.836
   35   HG21  ILE   4          HG21      ILE   4  -4.946   2.904  -4.822
   36   HG22  ILE   4          HG22      ILE   4  -6.108   2.901  -3.442
   37   HG23  ILE   4          HG23      ILE   4  -4.340   3.117  -3.135
   38   HD11  ILE   4          HD11      ILE   4  -7.808   5.853  -1.743
   39   HD12  ILE   4          HD12      ILE   4  -7.232   4.143  -1.714
   40   HD13  ILE   4          HD13      ILE   4  -7.862   4.857  -3.247
   41    H    SER   5           HN       SER   5  -3.549   7.440  -2.761
   42    HA   SER   5           HA       SER   5  -4.503   9.292  -4.820
   43    HB2  SER   5           HB2      SER   5  -4.801   9.553  -1.769
   44    HB3  SER   5           HB1      SER   5  -5.229  10.847  -2.958
   45    HG   SER   5           HG       SER   5  -6.385   8.658  -3.797
   46    H    ARG   6           HN       ARG   6  -1.741   8.355  -4.540
   47    HA   ARG   6           HA       ARG   6  -0.669  10.939  -3.948
   48    HB2  ARG   6           HB2      ARG   6  -0.165   9.764  -1.883
   49    HB3  ARG   6           HB1      ARG   6   0.274   8.277  -2.786
   50    HG2  ARG   6           HG2      ARG   6   2.221   9.657  -1.825
   51    HG3  ARG   6           HG1      ARG   6   2.329   9.199  -3.559
   52    HD2  ARG   6           HD2      ARG   6   2.993  11.589  -3.288
   53    HD3  ARG   6           HD1      ARG   6   1.410  11.495  -4.186
   54    HE   ARG   6           HE       ARG   6   0.319  12.443  -2.294
   55   HH11  ARG   6          HH11      ARG   6   3.687  11.545  -1.533
   56   HH12  ARG   6          HH12      ARG   6   3.722  12.369  -0.010
   57   HH21  ARG   6          HH21      ARG   6   0.374  13.561  -0.226
   58   HH22  ARG   6          HH22      ARG   6   1.808  13.534   0.744
   59    H    ILE   7           HN       ILE   7  -1.558   9.191  -6.228
   60    HA   ILE   7           HA       ILE   7   1.011   9.276  -7.594
   61    HB   ILE   7           HB       ILE   7  -1.332   7.646  -8.540
   62   HG12  ILE   7          HG12      ILE   7   0.108   5.757  -7.207
   63   HG13  ILE   7          HG11      ILE   7   0.504   7.180  -6.175
   64   HG21  ILE   7          HG21      ILE   7   0.518   7.900 -10.124
   65   HG22  ILE   7          HG22      ILE   7   0.667   6.242  -9.428
   66   HG23  ILE   7          HG23      ILE   7   1.748   7.564  -8.846
   67   HD11  ILE   7          HD11      ILE   7  -2.316   7.325  -6.597
   68   HD12  ILE   7          HD12      ILE   7  -1.444   6.880  -5.086
   69   HD13  ILE   7          HD13      ILE   7  -1.960   5.593  -6.245
   70    H    ILE   8           HN       ILE   8  -1.798  10.664  -6.913
   71    HA   ILE   8           HA       ILE   8  -2.004  11.910  -9.528
   72    HB   ILE   8           HB       ILE   8  -4.116  11.912  -7.359
   73   HG12  ILE   8          HG12      ILE   8  -5.110  10.060  -9.087
   74   HG13  ILE   8          HG11      ILE   8  -3.349   9.745  -9.296
   75   HG21  ILE   8          HG21      ILE   8  -3.964  12.575 -10.365
   76   HG22  ILE   8          HG22      ILE   8  -4.584  13.591  -9.008
   77   HG23  ILE   8          HG23      ILE   8  -5.550  12.186  -9.598
   78   HD11  ILE   8          HD11      ILE   8  -3.791   8.308  -7.500
   79   HD12  ILE   8          HD12      ILE   8  -5.099   9.349  -6.825
   80   HD13  ILE   8          HD13      ILE   8  -3.364   9.801  -6.582
   81    H    LEU   9           HN       LEU   9  -0.197  12.054  -7.619
   82    HA   LEU   9           HA       LEU   9  -0.145  14.796  -7.032
   83    HB2  LEU   9           HB2      LEU   9  -0.086  12.595  -4.983
   84    HB3  LEU   9           HB1      LEU   9   1.154  13.882  -4.858
   85    HG   LEU   9           HG       LEU   9  -0.605  14.518  -3.388
   86   HD11  LEU   9          HD11      LEU   9  -1.701  16.392  -5.321
   87   HD12  LEU   9          HD12      LEU   9   0.040  16.124  -5.727
   88   HD13  LEU   9          HD13      LEU   9  -0.432  16.670  -4.071
   89   HD21  LEU   9          HD21      LEU   9  -2.801  13.983  -3.652
   90   HD22  LEU   9          HD22      LEU   9  -2.257  12.990  -5.061
   91   HD23  LEU   9          HD23      LEU   9  -2.866  14.673  -5.320
   92    H    DAS  10           HN       DAS  10   0.798  11.497  -7.068
   93    HA   DAS  10           HA       DAS  10   2.633  10.514  -7.647
   94    HB2  DAS  10           HB2      DAS  10   4.150  13.126  -7.906
   95    HB3  DAS  10           HB1      DAS  10   3.875  12.369  -6.290
   96    H    PHE  11           HN       PHE  11   1.087  13.026  -9.123
   97    HA   PHE  11           HA       PHE  11   2.337  12.491 -11.710
   98    HB2  PHE  11           HB2      PHE  11   0.233  11.895 -12.536
   99    HB3  PHE  11           HB1      PHE  11  -0.410  12.062 -10.848
  100    HD1  PHE  11           HD1      PHE  11   0.218  13.854 -13.998
  101    HD2  PHE  11           HD2      PHE  11  -1.491  13.860 -10.148
  102    HE1  PHE  11           HE1      PHE  11  -0.802  15.991 -14.468
  103    HE2  PHE  11           HE2      PHE  11  -2.527  15.945 -10.566
  104    HZ   PHE  11           HZ       PHE  11  -2.252  17.076 -12.769
  105    H    LEU  12           HN       LEU  12   0.990  14.588  -9.175
  106    HA   LEU  12           HA       LEU  12   0.694  16.913 -10.672
  107    HB2  LEU  12           HB2      LEU  12   0.993  16.103  -7.864
  108    HB3  LEU  12           HB1      LEU  12   1.521  17.792  -8.165
  109    HG   LEU  12           HG       LEU  12  -0.621  17.977  -7.492
  110   HD11  LEU  12          HD11      LEU  12  -0.127  18.998  -9.838
  111   HD12  LEU  12          HD12      LEU  12  -1.847  18.927  -9.292
  112   HD13  LEU  12          HD13      LEU  12  -1.221  17.716 -10.473
  113   HD21  LEU  12          HD21      LEU  12  -0.977  15.322  -8.780
  114   HD22  LEU  12          HD22      LEU  12  -2.447  16.380  -8.693
  115   HD23  LEU  12          HD23      LEU  12  -1.546  15.944  -7.193
  116    H    PHE  13           HN       PHE  13   3.457  15.794  -8.683
  117    HA   PHE  13           HA       PHE  13   4.805  18.202  -9.342
  118    HB2  PHE  13           HB2      PHE  13   6.330  15.863  -8.159
  119    HB3  PHE  13           HB1      PHE  13   6.391  17.621  -7.698
  120    HD1  PHE  13           HD1      PHE  13   5.442  14.572  -6.642
  121    HD2  PHE  13           HD2      PHE  13   3.971  18.492  -7.185
  122    HE1  PHE  13           HE1      PHE  13   3.614  14.102  -5.163
  123    HE2  PHE  13           HE2      PHE  13   2.159  18.032  -5.697
  124    HZ   PHE  13           HZ       PHE  13   1.960  15.839  -4.690
  125    H    LEU  14           HN       LEU  14   3.857  15.884 -11.141
  126    HA   LEU  14           HA       LEU  14   6.377  15.522 -12.530
  127    HB2  LEU  14           HB2      LEU  14   3.904  13.751 -12.482
  128    HB3  LEU  14           HB1      LEU  14   5.370  13.431 -13.487
  129    HG   LEU  14           HG       LEU  14   5.100  13.359 -10.418
  130   HD11  LEU  14          HD11      LEU  14   4.566  11.333 -12.044
  131   HD12  LEU  14          HD12      LEU  14   5.602  11.046 -10.593
  132   HD13  LEU  14          HD13      LEU  14   6.357  11.213 -12.223
  133   HD21  LEU  14          HD21      LEU  14   7.606  13.769 -12.110
  134   HD22  LEU  14          HD22      LEU  14   7.704  12.642 -10.705
  135   HD23  LEU  14          HD23      LEU  14   7.208  14.357 -10.451
  136    H    ARG  15           HN       ARG  15   3.276  17.054 -12.692
  137    HA   ARG  15           HA       ARG  15   2.812  16.495 -15.429
  138    HB2  ARG  15           HB2      ARG  15   1.156  18.268 -15.406
  139    HB3  ARG  15           HB1      ARG  15   0.927  17.108 -14.041
  140    HG2  ARG  15           HG2      ARG  15   2.440  18.893 -12.736
  141    HG3  ARG  15           HG1      ARG  15   1.855  19.989 -14.028
  142    HD2  ARG  15           HD2      ARG  15  -0.077  18.222 -12.459
  143    HD3  ARG  15           HD1      ARG  15   0.424  19.869 -11.856
  144    HE   ARG  15           HE       ARG  15  -0.389  20.041 -14.633
  145   HH11  ARG  15          HH11      ARG  15  -1.656  19.532 -11.342
  146   HH12  ARG  15          HH12      ARG  15  -3.224  20.185 -11.680
  147   HH21  ARG  15          HH21      ARG  15  -2.519  20.927 -15.091
  148   HH22  ARG  15          HH22      ARG  15  -3.723  20.990 -13.847
  149    H    LYS  16           HN       LYS  16   4.629  18.816 -13.583
  150    HA   LYS  16           HA       LYS  16   6.095  19.797 -15.613
  151    HB2  LYS  16           HB2      LYS  16   4.996  21.829 -16.397
  152    HB3  LYS  16           HB1      LYS  16   3.808  20.490 -16.584
  153    HG2  LYS  16           HG2      LYS  16   2.372  21.857 -15.536
  154    HG3  LYS  16           HG1      LYS  16   3.198  21.313 -14.044
  155    HD2  LYS  16           HD2      LYS  16   3.422  23.581 -13.692
  156    HD3  LYS  16           HD1      LYS  16   4.879  23.355 -14.722
  157    HE2  LYS  16           HE2      LYS  16   3.596  24.076 -16.741
  158    HE3  LYS  16           HE1      LYS  16   2.094  24.247 -15.739
  159    HZ1  LYS  16           HZ1      LYS  16   3.969  26.155 -16.214
  160    HZ2  LYS  16           HZ2      LYS  16   4.339  25.642 -14.638
  161    HZ3  LYS  16           HZ3      LYS  16   2.775  26.188 -15.007
  162    H    LYS  17           HN       LYS  17   4.238  20.149 -12.683
  163    HA   LYS  17           HA       LYS  17   5.461  22.368 -11.594
  164    HB2  LYS  17           HB2      LYS  17   4.082  19.882 -10.489
  165    HB3  LYS  17           HB1      LYS  17   4.834  21.086  -9.363
  166    HG2  LYS  17           HG2      LYS  17   3.437  22.896 -10.272
  167    HG3  LYS  17           HG1      LYS  17   2.780  21.804 -11.544
  168    HD2  LYS  17           HD2      LYS  17   1.108  21.987  -9.813
  169    HD3  LYS  17           HD1      LYS  17   1.825  20.344  -9.696
  170    HE2  LYS  17           HE2      LYS  17   3.219  21.045  -7.758
  171    HE3  LYS  17           HE1      LYS  17   2.616  22.748  -7.913
  172    HZ1  LYS  17           HZ1      LYS  17   1.545  21.025  -6.290
  173    HZ2  LYS  17           HZ2      LYS  17   0.653  20.585  -7.667
  174    HZ3  LYS  17           HZ3      LYS  17   0.609  22.185  -7.103
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  -1.162   6.451   4.392
    2    H2   ALA   1           HT2      ALA   1  -0.455   5.484   3.187
    3    H3   ALA   1           HT3      ALA   1   0.151   5.442   4.774
    4    HA   ALA   1           HA       ALA   1  -1.120   3.721   5.137
    5    HB1  ALA   1           HB1      ALA   1  -2.538   5.447   6.251
    6    HB2  ALA   1           HB2      ALA   1  -3.590   4.180   5.512
    7    HB3  ALA   1           HB3      ALA   1  -3.377   5.772   4.687
    8    H    MET   2           HN       MET   2  -2.602   5.550   2.365
    9    HA   MET   2           HA       MET   2  -2.868   2.937   1.045
   10    HB2  MET   2           HB2      MET   2  -4.751   5.359   0.788
   11    HB3  MET   2           HB1      MET   2  -4.864   3.846  -0.176
   12    HG2  MET   2           HG2      MET   2  -5.303   2.532   1.892
   13    HG3  MET   2           HG1      MET   2  -5.154   4.017   2.882
   14    HE1  MET   2           HE1      MET   2  -7.455   2.121   3.206
   15    HE2  MET   2           HE2      MET   2  -8.884   3.209   3.268
   16    HE3  MET   2           HE3      MET   2  -7.348   3.698   4.063
   17    H    ARG   3           HN       ARG   3  -2.061   2.905  -1.103
   18    HA   ARG   3           HA       ARG   3  -0.898   5.450  -1.870
   19    HB2  ARG   3           HB2      ARG   3   0.370   3.061  -1.822
   20    HB3  ARG   3           HB1      ARG   3  -0.400   2.924  -3.440
   21    HG2  ARG   3           HG2      ARG   3   0.849   5.572  -3.007
   22    HG3  ARG   3           HG1      ARG   3   2.029   4.224  -2.831
   23    HD2  ARG   3           HD2      ARG   3   0.100   4.326  -5.227
   24    HD3  ARG   3           HD1      ARG   3   1.677   5.236  -5.239
   25    HE   ARG   3           HE       ARG   3   2.260   2.577  -4.400
   26   HH11  ARG   3          HH11      ARG   3   0.919   4.306  -7.209
   27   HH12  ARG   3          HH12      ARG   3   1.475   3.156  -8.378
   28   HH21  ARG   3          HH21      ARG   3   3.019   1.012  -5.989
   29   HH22  ARG   3          HH22      ARG   3   2.690   1.251  -7.672
   30    H    ILE   4           HN       ILE   4  -3.124   6.095  -2.168
   31    HA   ILE   4           HA       ILE   4  -3.985   5.338  -4.854
   32    HB   ILE   4           HB       ILE   4  -6.213   6.137  -4.143
   33   HG12  ILE   4          HG12      ILE   4  -4.922   6.129  -1.358
   34   HG13  ILE   4          HG11      ILE   4  -5.407   7.583  -2.300
   35   HG21  ILE   4          HG21      ILE   4  -6.692   4.032  -2.711
   36   HG22  ILE   4          HG22      ILE   4  -4.906   3.771  -2.637
   37   HG23  ILE   4          HG23      ILE   4  -5.762   3.713  -4.225
   38   HD11  ILE   4          HD11      ILE   4  -7.222   7.247  -0.786
   39   HD12  ILE   4          HD12      ILE   4  -7.215   5.457  -1.018
   40   HD13  ILE   4          HD13      ILE   4  -7.816   6.537  -2.334
   41    H    SER   5           HN       SER   5  -2.851   7.660  -2.616
   42    HA   SER   5           HA       SER   5  -3.680   9.772  -4.478
   43    HB2  SER   5           HB2      SER   5  -3.113  10.006  -1.458
   44    HB3  SER   5           HB1      SER   5  -3.449  11.403  -2.558
   45    HG   SER   5           HG       SER   5  -5.356  10.900  -1.729
   46    H    ARG   6           HN       ARG   6  -1.278   8.086  -4.855
   47    HA   ARG   6           HA       ARG   6   0.481  10.309  -4.799
   48    HB2  ARG   6           HB2      ARG   6   1.167   9.165  -2.729
   49    HB3  ARG   6           HB1      ARG   6   1.196   7.591  -3.599
   50    HG2  ARG   6           HG2      ARG   6   3.468   8.817  -3.199
   51    HG3  ARG   6           HG1      ARG   6   3.130   8.132  -4.822
   52    HD2  ARG   6           HD2      ARG   6   4.096  10.410  -5.083
   53    HD3  ARG   6           HD1      ARG   6   2.348  10.445  -5.595
   54    HE   ARG   6           HE       ARG   6   1.849  11.758  -3.669
   55   HH11  ARG   6          HH11      ARG   6   5.185  10.500  -3.560
   56   HH12  ARG   6          HH12      ARG   6   5.681  11.504  -2.239
   57   HH21  ARG   6          HH21      ARG   6   2.529  13.119  -1.875
   58   HH22  ARG   6          HH22      ARG   6   4.146  13.016  -1.266
   59    H    ILE   7           HN       ILE   7  -1.086   9.436  -6.723
   60    HA   ILE   7           HA       ILE   7   0.865   8.384  -8.563
   61    HB   ILE   7           HB       ILE   7  -2.055   7.667  -8.881
   62   HG12  ILE   7          HG12      ILE   7  -1.069   5.361  -7.794
   63   HG13  ILE   7          HG11      ILE   7  -0.077   6.553  -6.885
   64   HG21  ILE   7          HG21      ILE   7   0.613   6.348  -9.746
   65   HG22  ILE   7          HG22      ILE   7  -0.445   7.379 -10.785
   66   HG23  ILE   7          HG23      ILE   7  -1.039   5.779 -10.197
   67   HD11  ILE   7          HD11      ILE   7  -3.137   6.315  -6.943
   68   HD12  ILE   7          HD12      ILE   7  -2.280   7.779  -6.325
   69   HD13  ILE   7          HD13      ILE   7  -2.018   6.181  -5.532
   70    H    ILE   8           HN       ILE   8  -2.155   9.965  -7.763
   71    HA   ILE   8           HA       ILE   8  -2.131  11.605 -10.069
   72    HB   ILE   8           HB       ILE   8  -3.338  12.339  -7.374
   73   HG12  ILE   8          HG12      ILE   8  -5.401  10.970  -8.327
   74   HG13  ILE   8          HG11      ILE   8  -4.126  10.053  -9.206
   75   HG21  ILE   8          HG21      ILE   8  -4.071  12.761 -10.351
   76   HG22  ILE   8          HG22      ILE   8  -3.609  14.007  -9.129
   77   HG23  ILE   8          HG23      ILE   8  -5.197  13.159  -8.998
   78   HD11  ILE   8          HD11      ILE   8  -4.924   9.821  -6.391
   79   HD12  ILE   8          HD12      ILE   8  -3.189  10.336  -6.476
   80   HD13  ILE   8          HD13      ILE   8  -3.730   8.835  -7.321
   81    H    LEU   9           HN       LEU   9  -1.027  11.702  -6.674
   82    HA   LEU   9           HA       LEU   9  -0.033  14.263  -7.148
   83    HB2  LEU   9           HB2      LEU   9   0.445  12.114  -5.107
   84    HB3  LEU   9           HB1      LEU   9   1.467  13.585  -5.150
   85    HG   LEU   9           HG       LEU   9  -0.416  13.799  -3.509
   86   HD11  LEU   9          HD11      LEU   9   0.183  15.667  -5.754
   87   HD12  LEU   9          HD12      LEU   9  -0.013  15.999  -3.987
   88   HD13  LEU   9          HD13      LEU   9  -1.464  15.925  -5.059
   89   HD21  LEU   9          HD21      LEU   9  -1.989  12.360  -5.075
   90   HD22  LEU   9          HD22      LEU   9  -2.356  13.934  -5.885
   91   HD23  LEU   9          HD23      LEU   9  -2.714  13.718  -4.125
   92    H    DAS  10           HN       DAS  10   0.806  11.001  -7.675
   93    HA   DAS  10           HA       DAS  10   2.579  10.088  -8.496
   94    HB2  DAS  10           HB2      DAS  10   4.151  12.655  -8.500
   95    HB3  DAS  10           HB1      DAS  10   3.799  11.838  -6.932
   96    H    PHE  11           HN       PHE  11   0.856  12.657  -9.587
   97    HA   PHE  11           HA       PHE  11   2.104  12.545 -12.255
   98    HB2  PHE  11           HB2      PHE  11  -0.032  12.086 -13.111
   99    HB3  PHE  11           HB1      PHE  11  -0.653  12.078 -11.403
  100    HD1  PHE  11           HD1      PHE  11   0.171  14.374 -14.227
  101    HD2  PHE  11           HD2      PHE  11  -1.926  13.669 -10.665
  102    HE1  PHE  11           HE1      PHE  11  -0.799  16.586 -14.346
  103    HE2  PHE  11           HE2      PHE  11  -2.806  15.809 -10.655
  104    HZ   PHE  11           HZ       PHE  11  -2.354  17.361 -12.570
  105    H    LEU  12           HN       LEU  12   0.865  14.319  -9.443
  106    HA   LEU  12           HA       LEU  12   0.592  16.819 -10.616
  107    HB2  LEU  12           HB2      LEU  12   0.872  15.602  -7.985
  108    HB3  LEU  12           HB1      LEU  12   1.506  17.280  -8.004
  109    HG   LEU  12           HG       LEU  12  -0.583  17.615  -7.356
  110   HD11  LEU  12          HD11      LEU  12  -0.123  18.648  -9.720
  111   HD12  LEU  12          HD12      LEU  12  -1.797  18.732  -9.041
  112   HD13  LEU  12          HD13      LEU  12  -1.385  17.494 -10.285
  113   HD21  LEU  12          HD21      LEU  12  -2.601  16.255  -8.123
  114   HD22  LEU  12          HD22      LEU  12  -1.328  15.372  -7.188
  115   HD23  LEU  12          HD23      LEU  12  -1.418  15.199  -8.977
  116    H    PHE  13           HN       PHE  13   3.434  15.463  -8.882
  117    HA   PHE  13           HA       PHE  13   4.734  17.960  -9.319
  118    HB2  PHE  13           HB2      PHE  13   6.292  15.493  -8.468
  119    HB3  PHE  13           HB1      PHE  13   6.442  17.207  -7.871
  120    HD1  PHE  13           HD1      PHE  13   5.361  14.092  -7.095
  121    HD2  PHE  13           HD2      PHE  13   4.169  18.140  -7.084
  122    HE1  PHE  13           HE1      PHE  13   3.595  13.572  -5.572
  123    HE2  PHE  13           HE2      PHE  13   2.415  17.631  -5.533
  124    HZ   PHE  13           HZ       PHE  13   2.117  15.355  -4.769
  125    H    LEU  14           HN       LEU  14   3.751  15.800 -11.317
  126    HA   LEU  14           HA       LEU  14   6.230  15.636 -12.806
  127    HB2  LEU  14           HB2      LEU  14   3.735  13.904 -12.946
  128    HB3  LEU  14           HB1      LEU  14   5.184  13.698 -14.004
  129    HG   LEU  14           HG       LEU  14   4.930  13.226 -10.970
  130   HD11  LEU  14          HD11      LEU  14   6.213  11.371 -13.070
  131   HD12  LEU  14          HD12      LEU  14   4.426  11.423 -12.839
  132   HD13  LEU  14          HD13      LEU  14   5.502  10.961 -11.465
  133   HD21  LEU  14          HD21      LEU  14   7.535  12.603 -11.288
  134   HD22  LEU  14          HD22      LEU  14   7.022  14.286 -10.894
  135   HD23  LEU  14          HD23      LEU  14   7.454  13.847 -12.591
  136    H    ARG  15           HN       ARG  15   3.261  17.337 -12.702
  137    HA   ARG  15           HA       ARG  15   2.867  17.180 -15.545
  138    HB2  ARG  15           HB2      ARG  15   1.175  19.054 -15.084
  139    HB3  ARG  15           HB1      ARG  15   0.816  17.376 -14.548
  140    HG2  ARG  15           HG2      ARG  15   0.765  17.951 -12.359
  141    HG3  ARG  15           HG1      ARG  15   2.276  18.907 -12.493
  142    HD2  ARG  15           HD2      ARG  15   0.958  20.736 -12.183
  143    HD3  ARG  15           HD1      ARG  15   0.431  20.475 -13.906
  144    HE   ARG  15           HE       ARG  15  -1.118  18.817 -12.076
  145   HH11  ARG  15          HH11      ARG  15  -0.648  22.131 -13.295
  146   HH12  ARG  15          HH12      ARG  15  -2.283  22.631 -13.017
  147   HH21  ARG  15          HH21      ARG  15  -3.343  19.497 -11.697
  148   HH22  ARG  15          HH22      ARG  15  -3.840  21.108 -12.092
  149    H    LYS  16           HN       LYS  16   3.792  19.582 -13.089
  150    HA   LYS  16           HA       LYS  16   5.657  20.771 -14.784
  151    HB2  LYS  16           HB2      LYS  16   4.466  22.846 -15.327
  152    HB3  LYS  16           HB1      LYS  16   3.609  21.416 -16.016
  153    HG2  LYS  16           HG2      LYS  16   1.735  21.852 -14.884
  154    HG3  LYS  16           HG1      LYS  16   2.616  21.947 -13.319
  155    HD2  LYS  16           HD2      LYS  16   3.234  24.287 -13.762
  156    HD3  LYS  16           HD1      LYS  16   2.466  24.220 -15.385
  157    HE2  LYS  16           HE2      LYS  16   0.219  23.902 -14.349
  158    HE3  LYS  16           HE1      LYS  16   0.967  23.855 -12.698
  159    HZ1  LYS  16           HZ1      LYS  16   1.931  26.143 -13.770
  160    HZ2  LYS  16           HZ2      LYS  16   0.601  26.012 -12.722
  161    HZ3  LYS  16           HZ3      LYS  16   0.357  26.087 -14.401
  162    H    LYS  17           HN       LYS  17   5.326  19.710 -12.170
  163    HA   LYS  17           HA       LYS  17   5.686  22.151 -10.602
  164    HB2  LYS  17           HB2      LYS  17   3.998  19.673 -10.012
  165    HB3  LYS  17           HB1      LYS  17   4.713  20.627  -8.654
  166    HG2  LYS  17           HG2      LYS  17   3.562  22.687  -9.494
  167    HG3  LYS  17           HG1      LYS  17   2.854  21.738 -10.850
  168    HD2  LYS  17           HD2      LYS  17   1.571  20.350  -9.302
  169    HD3  LYS  17           HD1      LYS  17   2.418  21.052  -7.883
  170    HE2  LYS  17           HE2      LYS  17   0.147  22.048  -8.110
  171    HE3  LYS  17           HE1      LYS  17   1.403  23.315  -8.431
  172    HZ1  LYS  17           HZ1      LYS  17   1.042  23.122 -10.725
  173    HZ2  LYS  17           HZ2      LYS  17  -0.497  23.206 -10.008
  174    HZ3  LYS  17           HZ3      LYS  17   0.100  21.717 -10.570
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  -0.884   5.495   3.175
    2    H2   ALA   1           HT2      ALA   1  -0.476   5.555   4.823
    3    H3   ALA   1           HT3      ALA   1  -1.885   6.324   4.268
    4    HA   ALA   1           HA       ALA   1  -1.466   3.636   5.056
    5    HB1  ALA   1           HB1      ALA   1  -3.270   5.094   5.983
    6    HB2  ALA   1           HB2      ALA   1  -4.003   3.671   5.151
    7    HB3  ALA   1           HB3      ALA   1  -3.973   5.278   4.331
    8    H    MET   2           HN       MET   2  -2.897   5.211   2.107
    9    HA   MET   2           HA       MET   2  -2.567   2.603   0.798
   10    HB2  MET   2           HB2      MET   2  -4.835   4.646   0.401
   11    HB3  MET   2           HB1      MET   2  -4.545   3.228  -0.667
   12    HG2  MET   2           HG2      MET   2  -4.953   1.671   1.212
   13    HG3  MET   2           HG1      MET   2  -5.138   3.043   2.347
   14    HE1  MET   2           HE1      MET   2  -6.614   2.515  -1.465
   15    HE2  MET   2           HE2      MET   2  -7.951   1.445  -0.920
   16    HE3  MET   2           HE3      MET   2  -6.247   1.021  -0.534
   17    H    ARG   3           HN       ARG   3  -1.556   2.736  -1.267
   18    HA   ARG   3           HA       ARG   3  -0.696   5.429  -1.891
   19    HB2  ARG   3           HB2      ARG   3   0.943   3.441  -1.807
   20    HB3  ARG   3           HB1      ARG   3   0.115   2.865  -3.295
   21    HG2  ARG   3           HG2      ARG   3   0.605   5.149  -4.336
   22    HG3  ARG   3           HG1      ARG   3   1.629   5.503  -2.900
   23    HD2  ARG   3           HD2      ARG   3   2.007   3.055  -4.723
   24    HD3  ARG   3           HD1      ARG   3   2.942   4.603  -4.885
   25    HE   ARG   3           HE       ARG   3   3.215   2.569  -2.727
   26   HH11  ARG   3          HH11      ARG   3   3.876   5.869  -3.908
   27   HH12  ARG   3          HH12      ARG   3   5.230   6.136  -2.862
   28   HH21  ARG   3          HH21      ARG   3   5.054   2.936  -1.307
   29   HH22  ARG   3          HH22      ARG   3   5.909   4.440  -1.359
   30    H    ILE   4           HN       ILE   4  -2.975   5.853  -2.344
   31    HA   ILE   4           HA       ILE   4  -3.486   5.155  -5.138
   32    HB   ILE   4           HB       ILE   4  -5.862   5.656  -4.592
   33   HG12  ILE   4          HG12      ILE   4  -4.797   5.546  -1.715
   34   HG13  ILE   4          HG11      ILE   4  -5.360   7.018  -2.578
   35   HG21  ILE   4          HG21      ILE   4  -6.219   3.396  -3.436
   36   HG22  ILE   4          HG22      ILE   4  -4.444   3.338  -3.103
   37   HG23  ILE   4          HG23      ILE   4  -5.045   3.312  -4.806
   38   HD11  ILE   4          HD11      ILE   4  -7.559   5.335  -2.910
   39   HD12  ILE   4          HD12      ILE   4  -7.384   6.561  -1.598
   40   HD13  ILE   4          HD13      ILE   4  -6.959   4.836  -1.284
   41    H    SER   5           HN       SER   5  -2.903   7.452  -2.659
   42    HA   SER   5           HA       SER   5  -3.878   9.565  -4.438
   43    HB2  SER   5           HB2      SER   5  -3.311   9.690  -1.412
   44    HB3  SER   5           HB1      SER   5  -3.826  11.097  -2.427
   45    HG   SER   5           HG       SER   5  -5.675  10.374  -1.714
   46    H    ARG   6           HN       ARG   6  -1.225   7.983  -4.485
   47    HA   ARG   6           HA       ARG   6   0.301  10.414  -4.497
   48    HB2  ARG   6           HB2      ARG   6   1.097   9.231  -2.496
   49    HB3  ARG   6           HB1      ARG   6   1.175   7.689  -3.415
   50    HG2  ARG   6           HG2      ARG   6   3.402   8.997  -2.998
   51    HG3  ARG   6           HG1      ARG   6   3.081   8.342  -4.636
   52    HD2  ARG   6           HD2      ARG   6   3.946  10.661  -4.846
   53    HD3  ARG   6           HD1      ARG   6   2.190  10.640  -5.333
   54    HE   ARG   6           HE       ARG   6   1.668  11.878  -3.362
   55   HH11  ARG   6          HH11      ARG   6   5.056  10.763  -3.346
   56   HH12  ARG   6          HH12      ARG   6   5.533  11.750  -2.006
   57   HH21  ARG   6          HH21      ARG   6   2.321  13.214  -1.540
   58   HH22  ARG   6          HH22      ARG   6   3.952  13.164  -0.962
   59    H    ILE   7           HN       ILE   7  -1.287   9.449  -6.388
   60    HA   ILE   7           HA       ILE   7   0.663   8.523  -8.311
   61    HB   ILE   7           HB       ILE   7  -2.033   8.026  -9.207
   62   HG12  ILE   7          HG12      ILE   7  -2.434   7.978  -6.690
   63   HG13  ILE   7          HG11      ILE   7  -2.910   6.501  -7.599
   64   HG21  ILE   7          HG21      ILE   7  -0.152   6.872 -10.202
   65   HG22  ILE   7          HG22      ILE   7  -1.072   5.608  -9.301
   66   HG23  ILE   7          HG23      ILE   7   0.444   6.290  -8.600
   67   HD11  ILE   7          HD11      ILE   7  -0.108   6.480  -6.492
   68   HD12  ILE   7          HD12      ILE   7  -1.362   5.182  -6.507
   69   HD13  ILE   7          HD13      ILE   7  -1.434   6.494  -5.267
   70    H    ILE   8           HN       ILE   8  -2.236  10.228  -7.388
   71    HA   ILE   8           HA       ILE   8  -2.257  11.875  -9.667
   72    HB   ILE   8           HB       ILE   8  -3.353  12.469  -6.877
   73   HG12  ILE   8          HG12      ILE   8  -5.515  11.417  -8.017
   74   HG13  ILE   8          HG11      ILE   8  -4.299  10.531  -9.005
   75   HG21  ILE   8          HG21      ILE   8  -5.106  13.707  -8.284
   76   HG22  ILE   8          HG22      ILE   8  -4.124  13.334  -9.752
   77   HG23  ILE   8          HG23      ILE   8  -3.436  14.369  -8.444
   78   HD11  ILE   8          HD11      ILE   8  -3.989   9.050  -7.302
   79   HD12  ILE   8          HD12      ILE   8  -5.171   9.946  -6.277
   80   HD13  ILE   8          HD13      ILE   8  -3.414  10.386  -6.232
   81    H    LEU   9           HN       LEU   9  -1.052  12.034  -6.303
   82    HA   LEU   9           HA       LEU   9  -0.028  14.563  -6.903
   83    HB2  LEU   9           HB2      LEU   9   0.360  12.509  -4.766
   84    HB3  LEU   9           HB1      LEU   9   1.533  13.862  -4.915
   85    HG   LEU   9           HG       LEU   9  -0.302  14.338  -3.249
   86   HD11  LEU   9          HD11      LEU   9   0.432  16.432  -3.839
   87   HD12  LEU   9          HD12      LEU   9  -1.110  16.540  -4.772
   88   HD13  LEU   9          HD13      LEU   9   0.415  16.051  -5.606
   89   HD21  LEU   9          HD21      LEU   9  -2.193  14.518  -5.677
   90   HD22  LEU   9          HD22      LEU   9  -2.607  14.631  -3.920
   91   HD23  LEU   9          HD23      LEU   9  -2.081  13.054  -4.626
   92    H    DAS  10           HN       DAS  10   0.740  11.279  -7.359
   93    HA   DAS  10           HA       DAS  10   2.501  10.315  -8.164
   94    HB2  DAS  10           HB2      DAS  10   4.100  12.865  -8.334
   95    HB3  DAS  10           HB1      DAS  10   3.823  12.106  -6.722
   96    H    PHE  11           HN       PHE  11   0.769  12.852  -9.311
   97    HA   PHE  11           HA       PHE  11   1.930  12.605 -12.011
   98    HB2  PHE  11           HB2      PHE  11  -0.252  12.204 -12.783
   99    HB3  PHE  11           HB1      PHE  11  -0.814  12.270 -11.057
  100    HD1  PHE  11           HD1      PHE  11  -0.003  14.447 -13.977
  101    HD2  PHE  11           HD2      PHE  11  -2.004  13.933 -10.326
  102    HE1  PHE  11           HE1      PHE  11  -0.894  16.691 -14.137
  103    HE2  PHE  11           HE2      PHE  11  -2.808  16.104 -10.363
  104    HZ   PHE  11           HZ       PHE  11  -2.360  17.579 -12.338
  105    H    LEU  12           HN       LEU  12   0.850  14.526  -9.234
  106    HA   LEU  12           HA       LEU  12   0.606  16.981 -10.484
  107    HB2  LEU  12           HB2      LEU  12   0.960  15.852  -7.828
  108    HB3  LEU  12           HB1      LEU  12   1.658  17.502  -7.933
  109    HG   LEU  12           HG       LEU  12  -0.389  17.935  -7.202
  110   HD11  LEU  12          HD11      LEU  12  -1.640  19.040  -8.870
  111   HD12  LEU  12          HD12      LEU  12  -1.303  17.761 -10.098
  112   HD13  LEU  12          HD13      LEU  12   0.005  18.895  -9.600
  113   HD21  LEU  12          HD21      LEU  12  -1.332  15.477  -8.682
  114   HD22  LEU  12          HD22      LEU  12  -2.491  16.625  -7.914
  115   HD23  LEU  12          HD23      LEU  12  -1.248  15.772  -6.910
  116    H    PHE  13           HN       PHE  13   3.478  15.622  -8.803
  117    HA   PHE  13           HA       PHE  13   4.850  18.042  -9.418
  118    HB2  PHE  13           HB2      PHE  13   6.374  15.585  -8.503
  119    HB3  PHE  13           HB1      PHE  13   6.562  17.315  -7.971
  120    HD1  PHE  13           HD1      PHE  13   5.488  14.246  -7.041
  121    HD2  PHE  13           HD2      PHE  13   4.312  18.297  -7.159
  122    HE1  PHE  13           HE1      PHE  13   3.771  13.800  -5.437
  123    HE2  PHE  13           HE2      PHE  13   2.610  17.862  -5.535
  124    HZ   PHE  13           HZ       PHE  13   2.330  15.622  -4.666
  125    H    LEU  14           HN       LEU  14   3.709  15.891 -11.293
  126    HA   LEU  14           HA       LEU  14   6.133  15.542 -12.844
  127    HB2  LEU  14           HB2      LEU  14   3.575  13.899 -12.815
  128    HB3  LEU  14           HB1      LEU  14   4.965  13.602 -13.932
  129    HG   LEU  14           HG       LEU  14   4.835  13.243 -10.875
  130   HD11  LEU  14          HD11      LEU  14   5.941  11.278 -12.979
  131   HD12  LEU  14          HD12      LEU  14   4.174  11.397 -12.641
  132   HD13  LEU  14          HD13      LEU  14   5.318  10.941 -11.321
  133   HD21  LEU  14          HD21      LEU  14   7.296  13.737 -12.623
  134   HD22  LEU  14          HD22      LEU  14   7.402  12.502 -11.312
  135   HD23  LEU  14          HD23      LEU  14   6.967  14.206 -10.911
  136    H    ARG  15           HN       ARG  15   3.193  17.305 -12.698
  137    HA   ARG  15           HA       ARG  15   2.550  17.036 -15.447
  138    HB2  ARG  15           HB2      ARG  15   1.048  18.926 -15.164
  139    HB3  ARG  15           HB1      ARG  15   0.786  17.649 -13.916
  140    HG2  ARG  15           HG2      ARG  15   2.499  19.170 -12.517
  141    HG3  ARG  15           HG1      ARG  15   1.927  20.439 -13.650
  142    HD2  ARG  15           HD2      ARG  15  -0.047  18.634 -12.171
  143    HD3  ARG  15           HD1      ARG  15   0.600  20.164 -11.420
  144    HE   ARG  15           HE       ARG  15  -0.337  20.709 -14.108
  145   HH11  ARG  15          HH11      ARG  15  -1.468  19.900 -10.828
  146   HH12  ARG  15          HH12      ARG  15  -3.000  20.690 -10.996
  147   HH21  ARG  15          HH21      ARG  15  -2.417  21.783 -14.335
  148   HH22  ARG  15          HH22      ARG  15  -3.549  21.777 -13.023
  149    H    LYS  16           HN       LYS  16   4.564  19.077 -13.464
  150    HA   LYS  16           HA       LYS  16   6.073  20.116 -15.426
  151    HB2  LYS  16           HB2      LYS  16   5.093  22.231 -16.101
  152    HB3  LYS  16           HB1      LYS  16   3.797  21.004 -16.306
  153    HG2  LYS  16           HG2      LYS  16   2.523  22.480 -15.187
  154    HG3  LYS  16           HG1      LYS  16   3.280  21.741 -13.743
  155    HD2  LYS  16           HD2      LYS  16   4.881  23.545 -13.527
  156    HD3  LYS  16           HD1      LYS  16   4.506  24.174 -15.167
  157    HE2  LYS  16           HE2      LYS  16   2.199  24.820 -14.396
  158    HE3  LYS  16           HE1      LYS  16   2.586  24.192 -12.740
  159    HZ1  LYS  16           HZ1      LYS  16   3.138  26.692 -13.833
  160    HZ2  LYS  16           HZ2      LYS  16   4.630  25.923 -13.578
  161    HZ3  LYS  16           HZ3      LYS  16   3.532  26.094 -12.293
  162    H    LYS  17           HN       LYS  17   4.216  20.379 -12.489
  163    HA   LYS  17           HA       LYS  17   5.532  22.397 -11.181
  164    HB2  LYS  17           HB2      LYS  17   4.266  19.767 -10.214
  165    HB3  LYS  17           HB1      LYS  17   4.843  21.051  -9.076
  166    HG2  LYS  17           HG2      LYS  17   2.776  21.537 -11.309
  167    HG3  LYS  17           HG1      LYS  17   2.337  21.085  -9.622
  168    HD2  LYS  17           HD2      LYS  17   3.591  23.142  -8.807
  169    HD3  LYS  17           HD1      LYS  17   3.875  23.603 -10.520
  170    HE2  LYS  17           HE2      LYS  17   1.395  23.738 -10.904
  171    HE3  LYS  17           HE1      LYS  17   1.107  23.267  -9.177
  172    HZ1  LYS  17           HZ1      LYS  17   1.555  25.790 -10.216
  173    HZ2  LYS  17           HZ2      LYS  17   2.946  25.407  -9.321
  174    HZ3  LYS  17           HZ3      LYS  17   1.418  25.335  -8.586
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  -3.317   5.415   5.452
    2    H2   ALA   1           HT2      ALA   1  -3.878   4.999   3.903
    3    H3   ALA   1           HT3      ALA   1  -2.999   6.435   4.132
    4    HA   ALA   1           HA       ALA   1  -1.065   5.442   3.995
    5    HB1  ALA   1           HB1      ALA   1  -2.281   3.103   5.594
    6    HB2  ALA   1           HB2      ALA   1  -1.350   4.479   6.296
    7    HB3  ALA   1           HB3      ALA   1  -0.527   3.294   5.214
    8    H    MET   2           HN       MET   2  -2.573   5.393   1.768
    9    HA   MET   2           HA       MET   2  -1.968   2.738   0.705
   10    HB2  MET   2           HB2      MET   2  -4.532   3.007   1.189
   11    HB3  MET   2           HB1      MET   2  -4.491   4.320  -0.048
   12    HG2  MET   2           HG2      MET   2  -5.246   2.263  -1.107
   13    HG3  MET   2           HG1      MET   2  -3.630   2.699  -1.741
   14    HE1  MET   2           HE1      MET   2  -5.031  -0.841   0.805
   15    HE2  MET   2           HE2      MET   2  -5.908   0.619   0.230
   16    HE3  MET   2           HE3      MET   2  -4.848   0.721   1.678
   17    H    ARG   3           HN       ARG   3  -0.928   2.931  -1.353
   18    HA   ARG   3           HA       ARG   3  -0.615   5.694  -2.141
   19    HB2  ARG   3           HB2      ARG   3   1.386   4.079  -2.013
   20    HB3  ARG   3           HB1      ARG   3   0.677   3.291  -3.465
   21    HG2  ARG   3           HG2      ARG   3   0.728   5.491  -4.666
   22    HG3  ARG   3           HG1      ARG   3   1.495   6.242  -3.226
   23    HD2  ARG   3           HD2      ARG   3   3.436   4.635  -3.460
   24    HD3  ARG   3           HD1      ARG   3   2.666   3.993  -4.978
   25    HE   ARG   3           HE       ARG   3   2.832   6.850  -5.202
   26   HH11  ARG   3          HH11      ARG   3   4.905   3.964  -4.988
   27   HH12  ARG   3          HH12      ARG   3   6.183   4.617  -5.958
   28   HH21  ARG   3          HH21      ARG   3   4.565   7.742  -6.531
   29   HH22  ARG   3          HH22      ARG   3   5.984   6.802  -6.850
   30    H    ILE   4           HN       ILE   4  -2.907   5.725  -2.640
   31    HA   ILE   4           HA       ILE   4  -3.212   4.889  -5.428
   32    HB   ILE   4           HB       ILE   4  -5.663   5.022  -4.963
   33   HG12  ILE   4          HG12      ILE   4  -4.671   5.038  -2.059
   34   HG13  ILE   4          HG11      ILE   4  -5.443   6.411  -2.926
   35   HG21  ILE   4          HG21      ILE   4  -4.852   2.799  -5.206
   36   HG22  ILE   4          HG22      ILE   4  -5.527   2.732  -3.532
   37   HG23  ILE   4          HG23      ILE   4  -3.750   2.941  -3.783
   38   HD11  ILE   4          HD11      ILE   4  -6.709   3.821  -1.917
   39   HD12  ILE   4          HD12      ILE   4  -7.431   4.660  -3.341
   40   HD13  ILE   4          HD13      ILE   4  -7.285   5.523  -1.763
   41    H    SER   5           HN       SER   5  -3.184   7.267  -2.926
   42    HA   SER   5           HA       SER   5  -4.333   9.180  -4.820
   43    HB2  SER   5           HB2      SER   5  -4.097   9.408  -1.756
   44    HB3  SER   5           HB1      SER   5  -4.751  10.697  -2.844
   45    HG   SER   5           HG       SER   5  -6.077   8.623  -3.523
   46    H    ARG   6           HN       ARG   6  -1.492   8.021  -4.522
   47    HA   ARG   6           HA       ARG   6  -0.308  10.632  -4.339
   48    HB2  ARG   6           HB2      ARG   6   0.253   8.612  -2.552
   49    HB3  ARG   6           HB1      ARG   6   1.469   8.290  -3.846
   50    HG2  ARG   6           HG2      ARG   6   0.990  11.014  -2.528
   51    HG3  ARG   6           HG1      ARG   6   2.297   9.870  -2.054
   52    HD2  ARG   6           HD2      ARG   6   1.966  10.862  -4.961
   53    HD3  ARG   6           HD1      ARG   6   2.958  11.776  -3.731
   54    HE   ARG   6           HE       ARG   6   3.628   9.164  -4.969
   55   HH11  ARG   6          HH11      ARG   6   4.164  11.463  -2.296
   56   HH12  ARG   6          HH12      ARG   6   5.724  10.843  -1.875
   57   HH21  ARG   6          HH21      ARG   6   5.741   8.317  -4.384
   58   HH22  ARG   6          HH22      ARG   6   6.635   9.025  -3.082
   59    H    ILE   7           HN       ILE   7  -1.649   9.272  -6.416
   60    HA   ILE   7           HA       ILE   7   0.624   9.002  -8.197
   61    HB   ILE   7           HB       ILE   7  -1.782   8.014  -9.376
   62   HG12  ILE   7          HG12      ILE   7  -2.478   7.796  -6.946
   63   HG13  ILE   7          HG11      ILE   7  -2.519   6.277  -7.908
   64   HG21  ILE   7          HG21      ILE   7   0.392   7.279 -10.149
   65   HG22  ILE   7          HG22      ILE   7  -0.356   5.828  -9.382
   66   HG23  ILE   7          HG23      ILE   7   0.900   6.770  -8.494
   67   HD11  ILE   7          HD11      ILE   7   0.084   6.759  -6.495
   68   HD12  ILE   7          HD12      ILE   7  -0.928   5.266  -6.584
   69   HD13  ILE   7          HD13      ILE   7  -1.337   6.568  -5.400
   70    H    ILE   8           HN       ILE   8  -1.851  10.757  -6.965
   71    HA   ILE   8           HA       ILE   8  -2.215  12.226  -9.427
   72    HB   ILE   8           HB       ILE   8  -4.143  12.154  -7.095
   73   HG12  ILE   8          HG12      ILE   8  -5.398  10.561  -8.926
   74   HG13  ILE   8          HG11      ILE   8  -3.682  10.136  -9.267
   75   HG21  ILE   8          HG21      ILE   8  -5.708  12.712  -9.229
   76   HG22  ILE   8          HG22      ILE   8  -4.138  13.167  -9.996
   77   HG23  ILE   8          HG23      ILE   8  -4.685  14.003  -8.493
   78   HD11  ILE   8          HD11      ILE   8  -5.247   9.784  -6.638
   79   HD12  ILE   8          HD12      ILE   8  -3.439   9.825  -6.652
   80   HD13  ILE   8          HD13      ILE   8  -4.326   8.557  -7.585
   81    H    LEU   9           HN       LEU   9  -0.260  12.093  -7.629
   82    HA   LEU   9           HA       LEU   9  -0.000  14.773  -6.861
   83    HB2  LEU   9           HB2      LEU   9  -0.204  12.512  -4.934
   84    HB3  LEU   9           HB1      LEU   9   1.294  13.493  -4.801
   85    HG   LEU   9           HG       LEU   9  -0.258  14.405  -3.222
   86   HD11  LEU   9          HD11      LEU   9   0.584  15.994  -5.552
   87   HD12  LEU   9          HD12      LEU   9   0.456  16.473  -3.815
   88   HD13  LEU   9          HD13      LEU   9  -0.978  16.622  -4.899
   89   HD21  LEU   9          HD21      LEU   9  -2.254  13.376  -4.861
   90   HD22  LEU   9          HD22      LEU   9  -2.453  15.154  -5.116
   91   HD23  LEU   9          HD23      LEU   9  -2.531  14.466  -3.446
   92    H    DAS  10           HN       DAS  10   0.710  11.432  -7.137
   93    HA   DAS  10           HA       DAS  10   2.459  10.377  -7.864
   94    HB2  DAS  10           HB2      DAS  10   4.151  12.879  -8.178
   95    HB3  DAS  10           HB1      DAS  10   3.916  12.159  -6.541
   96    H    PHE  11           HN       PHE  11   0.954  13.032  -9.107
   97    HA   PHE  11           HA       PHE  11   2.001  12.563 -11.802
   98    HB2  PHE  11           HB2      PHE  11  -0.191  12.175 -12.504
   99    HB3  PHE  11           HB1      PHE  11  -0.706  12.305 -10.771
  100    HD1  PHE  11           HD1      PHE  11  -0.228  14.159 -13.897
  101    HD2  PHE  11           HD2      PHE  11  -1.529  14.177  -9.891
  102    HE1  PHE  11           HE1      PHE  11  -1.134  16.376 -14.212
  103    HE2  PHE  11           HE2      PHE  11  -2.448  16.339 -10.153
  104    HZ   PHE  11           HZ       PHE  11  -2.321  17.511 -12.347
  105    H    LEU  12           HN       LEU  12   1.020  14.615  -9.079
  106    HA   LEU  12           HA       LEU  12   0.822  17.039 -10.432
  107    HB2  LEU  12           HB2      LEU  12   1.222  16.043  -7.701
  108    HB3  LEU  12           HB1      LEU  12   1.887  17.691  -7.943
  109    HG   LEU  12           HG       LEU  12  -0.174  18.047  -7.131
  110   HD11  LEU  12          HD11      LEU  12  -1.013  17.967 -10.066
  111   HD12  LEU  12          HD12      LEU  12   0.245  19.112  -9.477
  112   HD13  LEU  12          HD13      LEU  12  -1.428  19.183  -8.802
  113   HD21  LEU  12          HD21      LEU  12  -2.223  16.666  -8.246
  114   HD22  LEU  12          HD22      LEU  12  -1.260  16.093  -6.827
  115   HD23  LEU  12          HD23      LEU  12  -0.869  15.488  -8.478
  116    H    PHE  13           HN       PHE  13   3.615  15.584  -8.724
  117    HA   PHE  13           HA       PHE  13   5.115  17.907  -9.375
  118    HB2  PHE  13           HB2      PHE  13   6.522  15.394  -8.430
  119    HB3  PHE  13           HB1      PHE  13   6.766  17.115  -7.895
  120    HD1  PHE  13           HD1      PHE  13   5.674  14.110  -6.881
  121    HD2  PHE  13           HD2      PHE  13   4.449  18.139  -7.172
  122    HE1  PHE  13           HE1      PHE  13   3.926  13.706  -5.289
  123    HE2  PHE  13           HE2      PHE  13   2.717  17.742  -5.576
  124    HZ   PHE  13           HZ       PHE  13   2.434  15.525  -4.641
  125    H    LEU  14           HN       LEU  14   3.826  15.861 -11.233
  126    HA   LEU  14           HA       LEU  14   6.188  15.378 -12.849
  127    HB2  LEU  14           HB2      LEU  14   3.616  13.755 -12.673
  128    HB3  LEU  14           HB1      LEU  14   4.977  13.404 -13.810
  129    HG   LEU  14           HG       LEU  14   4.968  13.208 -10.730
  130   HD11  LEU  14          HD11      LEU  14   4.096  11.308 -12.359
  131   HD12  LEU  14          HD12      LEU  14   5.239  10.869 -11.032
  132   HD13  LEU  14          HD13      LEU  14   5.840  11.037 -12.723
  133   HD21  LEU  14          HD21      LEU  14   7.316  13.526 -12.639
  134   HD22  LEU  14          HD22      LEU  14   7.463  12.257 -11.364
  135   HD23  LEU  14          HD23      LEU  14   7.154  13.971 -10.898
  136    H    ARG  15           HN       ARG  15   3.209  17.095 -12.615
  137    HA   ARG  15           HA       ARG  15   2.570  16.793 -15.417
  138    HB2  ARG  15           HB2      ARG  15   0.828  18.535 -14.956
  139    HB3  ARG  15           HB1      ARG  15   0.663  16.984 -14.054
  140    HG2  ARG  15           HG2      ARG  15   0.751  18.055 -12.077
  141    HG3  ARG  15           HG1      ARG  15   2.320  18.808 -12.515
  142    HD2  ARG  15           HD2      ARG  15   1.188  20.786 -12.444
  143    HD3  ARG  15           HD1      ARG  15   0.496  20.277 -14.051
  144    HE   ARG  15           HE       ARG  15  -1.054  19.102 -11.908
  145   HH11  ARG  15          HH11      ARG  15  -0.304  22.191 -13.510
  146   HH12  ARG  15          HH12      ARG  15  -1.832  22.925 -13.159
  147   HH21  ARG  15          HH21      ARG  15  -3.138  20.095 -11.428
  148   HH22  ARG  15          HH22      ARG  15  -3.472  21.711 -11.955
  149    H    LYS  16           HN       LYS  16   4.580  18.767 -13.473
  150    HA   LYS  16           HA       LYS  16   5.397  20.386 -15.568
  151    HB2  LYS  16           HB2      LYS  16   2.862  21.086 -14.182
  152    HB3  LYS  16           HB1      LYS  16   4.086  22.409 -14.092
  153    HG2  LYS  16           HG2      LYS  16   4.237  21.839 -16.749
  154    HG3  LYS  16           HG1      LYS  16   2.546  21.290 -16.418
  155    HD2  LYS  16           HD2      LYS  16   1.926  23.455 -15.517
  156    HD3  LYS  16           HD1      LYS  16   3.632  24.005 -15.486
  157    HE2  LYS  16           HE2      LYS  16   2.443  25.057 -17.408
  158    HE3  LYS  16           HE1      LYS  16   3.681  23.890 -18.037
  159    HZ1  LYS  16           HZ1      LYS  16   0.764  23.745 -18.057
  160    HZ2  LYS  16           HZ2      LYS  16   1.615  22.288 -17.858
  161    HZ3  LYS  16           HZ3      LYS  16   1.904  23.262 -19.218
  162    H    LYS  17           HN       LYS  17   4.230  20.189 -12.297
  163    HA   LYS  17           HA       LYS  17   6.250  21.776 -11.125
  164    HB2  LYS  17           HB2      LYS  17   4.105  19.841 -10.104
  165    HB3  LYS  17           HB1      LYS  17   5.158  20.820  -8.998
  166    HG2  LYS  17           HG2      LYS  17   4.327  22.933 -10.085
  167    HG3  LYS  17           HG1      LYS  17   3.269  21.963 -11.172
  168    HD2  LYS  17           HD2      LYS  17   2.038  21.079  -9.185
  169    HD3  LYS  17           HD1      LYS  17   3.124  21.997  -8.088
  170    HE2  LYS  17           HE2      LYS  17   0.976  23.217  -8.380
  171    HE3  LYS  17           HE1      LYS  17   2.317  24.160  -9.154
  172    HZ1  LYS  17           HZ1      LYS  17   1.572  23.655 -11.217
  173    HZ2  LYS  17           HZ2      LYS  17   0.097  23.718 -10.379
  174    HZ3  LYS  17           HZ3      LYS  17   0.797  22.217 -10.757
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  -4.039   4.742   4.080
    2    H2   ALA   1           HT2      ALA   1  -3.083   6.055   4.579
    3    H3   ALA   1           HT3      ALA   1  -3.518   4.848   5.693
    4    HA   ALA   1           HA       ALA   1  -1.221   4.980   4.265
    5    HB1  ALA   1           HB1      ALA   1  -2.552   2.515   5.556
    6    HB2  ALA   1           HB2      ALA   1  -1.604   3.767   6.445
    7    HB3  ALA   1           HB3      ALA   1  -0.784   2.703   5.239
    8    H    MET   2           HN       MET   2  -2.893   5.230   2.087
    9    HA   MET   2           HA       MET   2  -2.441   2.656   0.745
   10    HB2  MET   2           HB2      MET   2  -4.787   4.611   0.368
   11    HB3  MET   2           HB1      MET   2  -4.420   3.252  -0.750
   12    HG2  MET   2           HG2      MET   2  -4.654   1.658   1.234
   13    HG3  MET   2           HG1      MET   2  -5.220   3.047   2.213
   14    HE1  MET   2           HE1      MET   2  -7.223   4.233   2.124
   15    HE2  MET   2           HE2      MET   2  -8.578   4.093   0.952
   16    HE3  MET   2           HE3      MET   2  -7.019   4.823   0.439
   17    H    ARG   3           HN       ARG   3  -1.378   2.854  -1.272
   18    HA   ARG   3           HA       ARG   3  -0.700   5.605  -1.901
   19    HB2  ARG   3           HB2      ARG   3   1.049   3.590  -1.680
   20    HB3  ARG   3           HB1      ARG   3   0.489   3.237  -3.349
   21    HG2  ARG   3           HG2      ARG   3   0.939   6.033  -3.337
   22    HG3  ARG   3           HG1      ARG   3   2.295   5.357  -2.366
   23    HD2  ARG   3           HD2      ARG   3   3.023   3.926  -4.198
   24    HD3  ARG   3           HD1      ARG   3   1.496   4.245  -5.134
   25    HE   ARG   3           HE       ARG   3   2.848   6.747  -4.576
   26   HH11  ARG   3          HH11      ARG   3   3.077   3.760  -6.500
   27   HH12  ARG   3          HH12      ARG   3   3.900   4.498  -7.834
   28   HH21  ARG   3          HH21      ARG   3   3.956   7.757  -6.392
   29   HH22  ARG   3          HH22      ARG   3   4.410   6.810  -7.769
   30    H    ILE   4           HN       ILE   4  -2.985   5.760  -2.492
   31    HA   ILE   4           HA       ILE   4  -3.247   4.943  -5.289
   32    HB   ILE   4           HB       ILE   4  -5.687   5.199  -4.904
   33   HG12  ILE   4          HG12      ILE   4  -4.813   5.306  -1.963
   34   HG13  ILE   4          HG11      ILE   4  -5.465   6.680  -2.922
   35   HG21  ILE   4          HG21      ILE   4  -4.085   3.099  -3.289
   36   HG22  ILE   4          HG22      ILE   4  -4.695   2.942  -4.982
   37   HG23  ILE   4          HG23      ILE   4  -5.858   2.963  -3.602
   38   HD11  ILE   4          HD11      ILE   4  -6.932   4.154  -1.977
   39   HD12  ILE   4          HD12      ILE   4  -7.563   5.149  -3.344
   40   HD13  ILE   4          HD13      ILE   4  -7.361   5.886  -1.710
   41    H    SER   5           HN       SER   5  -3.071   7.367  -2.859
   42    HA   SER   5           HA       SER   5  -4.144   9.293  -4.777
   43    HB2  SER   5           HB2      SER   5  -4.445  10.878  -2.837
   44    HB3  SER   5           HB1      SER   5  -5.396   9.358  -2.610
   45    HG   SER   5           HG       SER   5  -3.129  10.300  -1.303
   46    H    ARG   6           HN       ARG   6  -1.325   8.011  -4.465
   47    HA   ARG   6           HA       ARG   6  -0.056  10.589  -4.392
   48    HB2  ARG   6           HB2      ARG   6   0.514   8.543  -2.626
   49    HB3  ARG   6           HB1      ARG   6   1.691   8.226  -3.958
   50    HG2  ARG   6           HG2      ARG   6   1.274  10.905  -2.528
   51    HG3  ARG   6           HG1      ARG   6   2.629   9.763  -2.217
   52    HD2  ARG   6           HD2      ARG   6   2.111  10.792  -5.070
   53    HD3  ARG   6           HD1      ARG   6   3.016  11.826  -3.874
   54    HE   ARG   6           HE       ARG   6   3.960   9.299  -5.107
   55   HH11  ARG   6          HH11      ARG   6   4.274  11.661  -2.452
   56   HH12  ARG   6          HH12      ARG   6   5.919  11.261  -2.088
   57   HH21  ARG   6          HH21      ARG   6   6.194   8.760  -4.608
   58   HH22  ARG   6          HH22      ARG   6   7.028   9.584  -3.335
   59    H    ILE   7           HN       ILE   7  -1.505   9.291  -6.421
   60    HA   ILE   7           HA       ILE   7   0.706   8.911  -8.253
   61    HB   ILE   7           HB       ILE   7  -1.716   7.974  -9.399
   62   HG12  ILE   7          HG12      ILE   7  -2.442   7.904  -6.949
   63   HG13  ILE   7          HG11      ILE   7  -2.605   6.378  -7.882
   64   HG21  ILE   7          HG21      ILE   7   0.880   6.640  -8.400
   65   HG22  ILE   7          HG22      ILE   7   0.434   7.098 -10.087
   66   HG23  ILE   7          HG23      ILE   7  -0.404   5.722  -9.276
   67   HD11  ILE   7          HD11      ILE   7  -1.438   6.576  -5.377
   68   HD12  ILE   7          HD12      ILE   7   0.017   6.701  -6.439
   69   HD13  ILE   7          HD13      ILE   7  -1.071   5.265  -6.563
   70    H    ILE   8           HN       ILE   8  -1.799  10.721  -7.042
   71    HA   ILE   8           HA       ILE   8  -2.133  12.127  -9.547
   72    HB   ILE   8           HB       ILE   8  -3.896  12.295  -7.085
   73   HG12  ILE   8          HG12      ILE   8  -5.369  10.743  -8.785
   74   HG13  ILE   8          HG11      ILE   8  -3.711  10.190  -9.214
   75   HG21  ILE   8          HG21      ILE   8  -4.489  14.115  -8.461
   76   HG22  ILE   8          HG22      ILE   8  -5.535  12.850  -9.208
   77   HG23  ILE   8          HG23      ILE   8  -3.963  13.288  -9.977
   78   HD11  ILE   8          HD11      ILE   8  -5.096  10.064  -6.465
   79   HD12  ILE   8          HD12      ILE   8  -3.305   9.897  -6.642
   80   HD13  ILE   8          HD13      ILE   8  -4.412   8.714  -7.444
   81    H    LEU   9           HN       LEU   9  -0.433  11.847  -6.992
   82    HA   LEU   9           HA       LEU   9   0.013  14.694  -6.783
   83    HB2  LEU   9           HB2      LEU   9   0.211  12.383  -4.839
   84    HB3  LEU   9           HB1      LEU   9   1.440  13.685  -4.729
   85    HG   LEU   9           HG       LEU   9  -0.773  13.746  -3.246
   86   HD11  LEU   9          HD11      LEU   9   0.869  15.927  -4.508
   87   HD12  LEU   9          HD12      LEU   9   0.515  15.588  -2.774
   88   HD13  LEU   9          HD13      LEU   9  -0.697  16.454  -3.791
   89   HD21  LEU   9          HD21      LEU   9  -2.607  15.079  -4.291
   90   HD22  LEU   9          HD22      LEU   9  -2.348  13.514  -5.157
   91   HD23  LEU   9          HD23      LEU   9  -1.734  15.050  -5.871
   92    H    DAS  10           HN       DAS  10   0.790  11.417  -7.181
   93    HA   DAS  10           HA       DAS  10   2.569  10.378  -7.871
   94    HB2  DAS  10           HB2      DAS  10   4.225  12.900  -8.200
   95    HB3  DAS  10           HB1      DAS  10   3.986  12.205  -6.554
   96    H    PHE  11           HN       PHE  11   1.041  13.037  -9.117
   97    HA   PHE  11           HA       PHE  11   2.134  12.565 -11.796
   98    HB2  PHE  11           HB2      PHE  11  -0.020  12.076 -12.543
   99    HB3  PHE  11           HB1      PHE  11  -0.582  12.241 -10.827
  100    HD1  PHE  11           HD1      PHE  11  -0.128  14.033 -14.007
  101    HD2  PHE  11           HD2      PHE  11  -1.419  14.099 -10.018
  102    HE1  PHE  11           HE1      PHE  11  -1.101  16.225 -14.362
  103    HE2  PHE  11           HE2      PHE  11  -2.399  16.212 -10.291
  104    HZ   PHE  11           HZ       PHE  11  -2.313  17.357 -12.512
  105    H    LEU  12           HN       LEU  12   1.065  14.554  -9.128
  106    HA   LEU  12           HA       LEU  12   0.773  16.942 -10.511
  107    HB2  LEU  12           HB2      LEU  12   1.574  16.146  -7.754
  108    HB3  LEU  12           HB1      LEU  12   1.492  17.888  -8.194
  109    HG   LEU  12           HG       LEU  12  -0.676  15.838  -8.303
  110   HD11  LEU  12          HD11      LEU  12  -1.527  16.888  -6.302
  111   HD12  LEU  12          HD12      LEU  12  -0.233  18.149  -6.381
  112   HD13  LEU  12          HD13      LEU  12   0.204  16.419  -6.096
  113   HD21  LEU  12          HD21      LEU  12  -2.193  17.707  -8.845
  114   HD22  LEU  12          HD22      LEU  12  -0.851  17.637 -10.053
  115   HD23  LEU  12          HD23      LEU  12  -0.817  18.872  -8.741
  116    H    PHE  13           HN       PHE  13   3.652  15.533  -8.895
  117    HA   PHE  13           HA       PHE  13   4.968  18.002  -9.430
  118    HB2  PHE  13           HB2      PHE  13   6.560  15.558  -8.589
  119    HB3  PHE  13           HB1      PHE  13   6.706  17.275  -8.011
  120    HD1  PHE  13           HD1      PHE  13   5.988  14.255  -6.912
  121    HD2  PHE  13           HD2      PHE  13   4.186  18.052  -7.351
  122    HE1  PHE  13           HE1      PHE  13   4.332  13.682  -5.267
  123    HE2  PHE  13           HE2      PHE  13   2.538  17.473  -5.728
  124    HZ   PHE  13           HZ       PHE  13   2.605  15.300  -4.689
  125    H    LEU  14           HN       LEU  14   3.813  15.824 -11.281
  126    HA   LEU  14           HA       LEU  14   6.172  15.489 -12.923
  127    HB2  LEU  14           HB2      LEU  14   3.639  13.810 -12.793
  128    HB3  LEU  14           HB1      LEU  14   5.054  13.474 -13.866
  129    HG   LEU  14           HG       LEU  14   4.920  13.337 -10.786
  130   HD11  LEU  14          HD11      LEU  14   5.313  10.992 -11.039
  131   HD12  LEU  14          HD12      LEU  14   5.901  11.159 -12.736
  132   HD13  LEU  14          HD13      LEU  14   4.149  11.375 -12.365
  133   HD21  LEU  14          HD21      LEU  14   7.086  14.200 -10.932
  134   HD22  LEU  14          HD22      LEU  14   7.350  13.616 -12.618
  135   HD23  LEU  14          HD23      LEU  14   7.456  12.462 -11.237
  136    H    ARG  15           HN       ARG  15   3.174  17.173 -12.714
  137    HA   ARG  15           HA       ARG  15   2.548  16.822 -15.490
  138    HB2  ARG  15           HB2      ARG  15   0.922  18.755 -15.023
  139    HB3  ARG  15           HB1      ARG  15   0.599  17.136 -14.304
  140    HG2  ARG  15           HG2      ARG  15   0.809  17.891 -12.183
  141    HG3  ARG  15           HG1      ARG  15   2.283  18.838 -12.563
  142    HD2  ARG  15           HD2      ARG  15   1.024  20.714 -12.370
  143    HD3  ARG  15           HD1      ARG  15   0.170  20.200 -13.896
  144    HE   ARG  15           HE       ARG  15  -0.993  18.777 -11.689
  145   HH11  ARG  15          HH11      ARG  15  -0.637  22.071 -12.992
  146   HH12  ARG  15          HH12      ARG  15  -2.139  22.652 -12.358
  147   HH21  ARG  15          HH21      ARG  15  -3.040  19.565 -10.825
  148   HH22  ARG  15          HH22      ARG  15  -3.529  21.203 -11.104
  149    H    LYS  16           HN       LYS  16   3.818  19.340 -13.332
  150    HA   LYS  16           HA       LYS  16   5.462  20.382 -15.322
  151    HB2  LYS  16           HB2      LYS  16   4.254  22.461 -15.819
  152    HB3  LYS  16           HB1      LYS  16   3.299  21.017 -16.326
  153    HG2  LYS  16           HG2      LYS  16   1.605  21.457 -14.925
  154    HG3  LYS  16           HG1      LYS  16   2.697  21.808 -13.542
  155    HD2  LYS  16           HD2      LYS  16   3.126  24.068 -14.395
  156    HD3  LYS  16           HD1      LYS  16   2.137  23.743 -15.859
  157    HE2  LYS  16           HE2      LYS  16   0.081  23.523 -14.469
  158    HE3  LYS  16           HE1      LYS  16   1.058  23.728 -12.956
  159    HZ1  LYS  16           HZ1      LYS  16  -0.062  25.683 -14.589
  160    HZ2  LYS  16           HZ2      LYS  16   1.625  25.834 -14.725
  161    HZ3  LYS  16           HZ3      LYS  16   0.888  25.879 -13.196
  162    H    LYS  17           HN       LYS  17   5.472  19.490 -12.630
  163    HA   LYS  17           HA       LYS  17   6.149  21.996 -11.304
  164    HB2  LYS  17           HB2      LYS  17   4.249  19.794 -10.376
  165    HB3  LYS  17           HB1      LYS  17   5.227  20.684  -9.146
  166    HG2  LYS  17           HG2      LYS  17   3.413  22.071 -11.214
  167    HG3  LYS  17           HG1      LYS  17   2.867  21.594  -9.569
  168    HD2  LYS  17           HD2      LYS  17   4.706  23.022  -8.582
  169    HD3  LYS  17           HD1      LYS  17   5.163  23.540 -10.242
  170    HE2  LYS  17           HE2      LYS  17   2.884  24.545 -10.565
  171    HE3  LYS  17           HE1      LYS  17   2.421  24.021  -8.892
  172    HZ1  LYS  17           HZ1      LYS  17   4.280  26.112  -9.769
  173    HZ2  LYS  17           HZ2      LYS  17   4.598  25.308  -8.307
  174    HZ3  LYS  17           HZ3      LYS  17   3.121  26.116  -8.528
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  -0.635   5.303   3.215
    2    H2   ALA   1           HT2      ALA   1  -0.143   5.236   4.839
    3    H3   ALA   1           HT3      ALA   1  -1.557   6.076   4.415
    4    HA   ALA   1           HA       ALA   1  -1.174   3.332   4.995
    5    HB1  ALA   1           HB1      ALA   1  -3.666   5.079   4.504
    6    HB2  ALA   1           HB2      ALA   1  -2.894   4.761   6.104
    7    HB3  ALA   1           HB3      ALA   1  -3.704   3.419   5.211
    8    H    MET   2           HN       MET   2  -2.712   5.133   2.236
    9    HA   MET   2           HA       MET   2  -2.508   2.613   0.738
   10    HB2  MET   2           HB2      MET   2  -4.737   4.731   0.605
   11    HB3  MET   2           HB1      MET   2  -4.531   3.407  -0.593
   12    HG2  MET   2           HG2      MET   2  -4.754   1.736   1.329
   13    HG3  MET   2           HG1      MET   2  -5.166   3.110   2.402
   14    HE1  MET   2           HE1      MET   2  -7.040   4.451   2.469
   15    HE2  MET   2           HE2      MET   2  -8.514   4.419   1.441
   16    HE3  MET   2           HE3      MET   2  -6.978   5.083   0.787
   17    H    ARG   3           HN       ARG   3  -1.495   2.859  -1.297
   18    HA   ARG   3           HA       ARG   3  -0.773   5.614  -1.859
   19    HB2  ARG   3           HB2      ARG   3   1.018   3.749  -1.828
   20    HB3  ARG   3           HB1      ARG   3   0.222   3.145  -3.322
   21    HG2  ARG   3           HG2      ARG   3   0.563   5.387  -4.391
   22    HG3  ARG   3           HG1      ARG   3   1.410   5.946  -2.909
   23    HD2  ARG   3           HD2      ARG   3   3.124   4.112  -3.238
   24    HD3  ARG   3           HD1      ARG   3   2.294   3.675  -4.797
   25    HE   ARG   3           HE       ARG   3   2.830   6.495  -4.831
   26   HH11  ARG   3          HH11      ARG   3   4.513   3.356  -4.811
   27   HH12  ARG   3          HH12      ARG   3   5.881   3.911  -5.715
   28   HH21  ARG   3          HH21      ARG   3   4.686   7.251  -6.062
   29   HH22  ARG   3          HH22      ARG   3   5.982   6.165  -6.438
   30    H    ILE   4           HN       ILE   4  -3.014   5.984  -2.363
   31    HA   ILE   4           HA       ILE   4  -3.504   5.183  -5.134
   32    HB   ILE   4           HB       ILE   4  -5.895   5.635  -4.611
   33   HG12  ILE   4          HG12      ILE   4  -4.843   5.637  -1.727
   34   HG13  ILE   4          HG11      ILE   4  -5.444   7.068  -2.635
   35   HG21  ILE   4          HG21      ILE   4  -6.177   3.404  -3.334
   36   HG22  ILE   4          HG22      ILE   4  -4.386   3.394  -3.098
   37   HG23  ILE   4          HG23      ILE   4  -5.079   3.308  -4.764
   38   HD11  ILE   4          HD11      ILE   4  -7.677   5.717  -2.937
   39   HD12  ILE   4          HD12      ILE   4  -7.316   6.400  -1.307
   40   HD13  ILE   4          HD13      ILE   4  -7.045   4.646  -1.630
   41    H    SER   5           HN       SER   5  -3.053   7.580  -2.701
   42    HA   SER   5           HA       SER   5  -4.031   9.596  -4.584
   43    HB2  SER   5           HB2      SER   5  -4.151  11.182  -2.625
   44    HB3  SER   5           HB1      SER   5  -5.212   9.739  -2.382
   45    HG   SER   5           HG       SER   5  -2.790  10.447  -1.173
   46    H    ARG   6           HN       ARG   6  -1.304   8.115  -4.423
   47    HA   ARG   6           HA       ARG   6   0.118  10.613  -4.467
   48    HB2  ARG   6           HB2      ARG   6   0.862   9.536  -2.391
   49    HB3  ARG   6           HB1      ARG   6   1.036   7.965  -3.243
   50    HG2  ARG   6           HG2      ARG   6   3.195   9.358  -2.766
   51    HG3  ARG   6           HG1      ARG   6   2.979   8.634  -4.392
   52    HD2  ARG   6           HD2      ARG   6   3.779  10.969  -4.652
   53    HD3  ARG   6           HD1      ARG   6   2.051  10.875  -5.218
   54    HE   ARG   6           HE       ARG   6   1.400  12.173  -3.328
   55   HH11  ARG   6          HH11      ARG   6   4.805  11.137  -3.086
   56   HH12  ARG   6          HH12      ARG   6   5.186  12.184  -1.759
   57   HH21  ARG   6          HH21      ARG   6   1.923  13.591  -1.525
   58   HH22  ARG   6          HH22      ARG   6   3.521  13.600  -0.858
   59    H    ILE   7           HN       ILE   7  -1.357   9.450  -6.390
   60    HA   ILE   7           HA       ILE   7   0.737   8.565  -8.182
   61    HB   ILE   7           HB       ILE   7  -1.906   7.944  -9.178
   62   HG12  ILE   7          HG12      ILE   7  -2.409   7.933  -6.690
   63   HG13  ILE   7          HG11      ILE   7  -2.753   6.398  -7.561
   64   HG21  ILE   7          HG21      ILE   7   0.618   6.325  -8.446
   65   HG22  ILE   7          HG22      ILE   7   0.063   6.853 -10.080
   66   HG23  ILE   7          HG23      ILE   7  -0.842   5.569  -9.191
   67   HD11  ILE   7          HD11      ILE   7  -1.172   5.219  -6.361
   68   HD12  ILE   7          HD12      ILE   7  -1.375   6.568  -5.177
   69   HD13  ILE   7          HD13      ILE   7  -0.003   6.593  -6.349
   70    H    ILE   8           HN       ILE   8  -2.245  10.214  -7.460
   71    HA   ILE   8           HA       ILE   8  -2.215  11.760  -9.811
   72    HB   ILE   8           HB       ILE   8  -3.467  12.426  -7.104
   73   HG12  ILE   8          HG12      ILE   8  -5.533  11.250  -8.297
   74   HG13  ILE   8          HG11      ILE   8  -4.242  10.374  -9.193
   75   HG21  ILE   8          HG21      ILE   8  -3.535  14.258  -8.756
   76   HG22  ILE   8          HG22      ILE   8  -5.188  13.545  -8.645
   77   HG23  ILE   8          HG23      ILE   8  -4.127  13.144 -10.047
   78   HD11  ILE   8          HD11      ILE   8  -3.940   8.975  -7.420
   79   HD12  ILE   8          HD12      ILE   8  -5.224   9.843  -6.498
   80   HD13  ILE   8          HD13      ILE   8  -3.497  10.376  -6.370
   81    H    LEU   9           HN       LEU   9  -1.187  12.092  -6.402
   82    HA   LEU   9           HA       LEU   9  -0.209  14.628  -7.054
   83    HB2  LEU   9           HB2      LEU   9   0.127  12.670  -4.819
   84    HB3  LEU   9           HB1      LEU   9   1.267  14.052  -4.964
   85    HG   LEU   9           HG       LEU   9  -0.672  14.527  -3.412
   86   HD11  LEU   9          HD11      LEU   9   0.126  16.182  -5.791
   87   HD12  LEU   9          HD12      LEU   9   0.058  16.614  -4.037
   88   HD13  LEU   9          HD13      LEU   9  -1.444  16.661  -5.036
   89   HD21  LEU   9          HD21      LEU   9  -2.421  14.570  -5.951
   90   HD22  LEU   9          HD22      LEU   9  -2.941  14.749  -4.230
   91   HD23  LEU   9          HD23      LEU   9  -2.340  13.157  -4.831
   92    H    DAS  10           HN       DAS  10   0.668  11.353  -7.336
   93    HA   DAS  10           HA       DAS  10   2.489  10.405  -8.014
   94    HB2  DAS  10           HB2      DAS  10   4.040  12.982  -8.211
   95    HB3  DAS  10           HB1      DAS  10   3.690  12.291  -6.582
   96    H    PHE  11           HN       PHE  11   0.758  12.849  -9.348
   97    HA   PHE  11           HA       PHE  11   2.063  12.528 -11.973
   98    HB2  PHE  11           HB2      PHE  11  -0.060  12.030 -12.840
   99    HB3  PHE  11           HB1      PHE  11  -0.711  12.141 -11.146
  100    HD1  PHE  11           HD1      PHE  11   0.174  14.236 -14.104
  101    HD2  PHE  11           HD2      PHE  11  -1.993  13.782 -10.542
  102    HE1  PHE  11           HE1      PHE  11  -0.790  16.435 -14.396
  103    HE2  PHE  11           HE2      PHE  11  -2.872  15.919 -10.704
  104    HZ   PHE  11           HZ       PHE  11  -2.380  17.331 -12.711
  105    H    LEU  12           HN       LEU  12   0.790  14.527  -9.338
  106    HA   LEU  12           HA       LEU  12   0.558  16.926 -10.705
  107    HB2  LEU  12           HB2      LEU  12   0.779  15.912  -7.988
  108    HB3  LEU  12           HB1      LEU  12   1.440  17.576  -8.121
  109    HG   LEU  12           HG       LEU  12  -0.649  17.997  -7.543
  110   HD11  LEU  12          HD11      LEU  12  -0.157  18.788 -10.010
  111   HD12  LEU  12          HD12      LEU  12  -1.819  18.989  -9.327
  112   HD13  LEU  12          HD13      LEU  12  -1.459  17.625 -10.446
  113   HD21  LEU  12          HD21      LEU  12  -1.456  15.431  -8.918
  114   HD22  LEU  12          HD22      LEU  12  -2.673  16.581  -8.252
  115   HD23  LEU  12          HD23      LEU  12  -1.443  15.819  -7.164
  116    H    PHE  13           HN       PHE  13   3.363  15.695  -8.826
  117    HA   PHE  13           HA       PHE  13   4.697  18.134  -9.445
  118    HB2  PHE  13           HB2      PHE  13   6.231  15.735  -8.386
  119    HB3  PHE  13           HB1      PHE  13   6.369  17.486  -7.910
  120    HD1  PHE  13           HD1      PHE  13   5.311  14.441  -6.902
  121    HD2  PHE  13           HD2      PHE  13   4.055  18.455  -7.252
  122    HE1  PHE  13           HE1      PHE  13   3.523  14.023  -5.368
  123    HE2  PHE  13           HE2      PHE  13   2.282  18.048  -5.697
  124    HZ   PHE  13           HZ       PHE  13   2.005  15.840  -4.749
  125    H    LEU  14           HN       LEU  14   3.715  15.853 -11.292
  126    HA   LEU  14           HA       LEU  14   6.214  15.540 -12.724
  127    HB2  LEU  14           HB2      LEU  14   3.703  13.827 -12.766
  128    HB3  LEU  14           HB1      LEU  14   5.158  13.531 -13.793
  129    HG   LEU  14           HG       LEU  14   4.873  13.279 -10.735
  130   HD11  LEU  14          HD11      LEU  14   6.135  11.274 -12.710
  131   HD12  LEU  14          HD12      LEU  14   4.352  11.352 -12.453
  132   HD13  LEU  14          HD13      LEU  14   5.449  10.979 -11.068
  133   HD21  LEU  14          HD21      LEU  14   7.418  13.750 -12.375
  134   HD22  LEU  14          HD22      LEU  14   7.472  12.610 -10.978
  135   HD23  LEU  14          HD23      LEU  14   6.976  14.324 -10.722
  136    H    ARG  15           HN       ARG  15   3.237  17.243 -12.789
  137    HA   ARG  15           HA       ARG  15   2.866  16.883 -15.611
  138    HB2  ARG  15           HB2      ARG  15   1.222  18.827 -15.312
  139    HB3  ARG  15           HB1      ARG  15   0.823  17.215 -14.623
  140    HG2  ARG  15           HG2      ARG  15   0.850  17.967 -12.482
  141    HG3  ARG  15           HG1      ARG  15   2.338  18.939 -12.744
  142    HD2  ARG  15           HD2      ARG  15   0.893  20.707 -12.473
  143    HD3  ARG  15           HD1      ARG  15   0.545  20.392 -14.233
  144    HE   ARG  15           HE       ARG  15  -1.159  18.704 -12.651
  145   HH11  ARG  15          HH11      ARG  15  -0.564  22.125 -13.435
  146   HH12  ARG  15          HH12      ARG  15  -2.210  22.620 -13.232
  147   HH21  ARG  15          HH21      ARG  15  -3.405  19.377 -12.373
  148   HH22  ARG  15          HH22      ARG  15  -3.853  21.031 -12.617
  149    H    LYS  16           HN       LYS  16   3.963  19.373 -13.341
  150    HA   LYS  16           HA       LYS  16   5.795  20.397 -15.168
  151    HB2  LYS  16           HB2      LYS  16   4.677  22.502 -15.752
  152    HB3  LYS  16           HB1      LYS  16   3.739  21.081 -16.350
  153    HG2  LYS  16           HG2      LYS  16   1.940  21.552 -15.102
  154    HG3  LYS  16           HG1      LYS  16   2.914  21.868 -13.624
  155    HD2  LYS  16           HD2      LYS  16   3.474  24.125 -14.435
  156    HD3  LYS  16           HD1      LYS  16   2.582  23.828 -15.966
  157    HE2  LYS  16           HE2      LYS  16   0.429  23.655 -14.725
  158    HE3  LYS  16           HE1      LYS  16   1.302  23.827 -13.145
  159    HZ1  LYS  16           HZ1      LYS  16   2.117  25.945 -14.699
  160    HZ2  LYS  16           HZ2      LYS  16   1.031  25.971 -13.394
  161    HZ3  LYS  16           HZ3      LYS  16   0.448  25.815 -14.982
  162    H    LYS  17           HN       LYS  17   5.548  19.474 -12.498
  163    HA   LYS  17           HA       LYS  17   6.201  21.937 -11.096
  164    HB2  LYS  17           HB2      LYS  17   4.079  19.867 -10.365
  165    HB3  LYS  17           HB1      LYS  17   5.003  20.678  -9.037
  166    HG2  LYS  17           HG2      LYS  17   4.347  22.933 -10.127
  167    HG3  LYS  17           HG1      LYS  17   3.226  21.997 -11.176
  168    HD2  LYS  17           HD2      LYS  17   3.175  21.909  -8.097
  169    HD3  LYS  17           HD1      LYS  17   2.186  23.040  -9.082
  170    HE2  LYS  17           HE2      LYS  17   1.105  21.054 -10.231
  171    HE3  LYS  17           HE1      LYS  17   2.055  19.951  -9.149
  172    HZ1  LYS  17           HZ1      LYS  17  -0.044  20.267  -8.203
  173    HZ2  LYS  17           HZ2      LYS  17   0.006  21.955  -8.379
  174    HZ3  LYS  17           HZ3      LYS  17   1.032  21.187  -7.266
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  -1.987   6.389   4.718
    2    H2   ALA   1           HT2      ALA   1  -2.392   5.267   5.925
    3    H3   ALA   1           HT3      ALA   1  -3.227   5.259   4.446
    4    HA   ALA   1           HA       ALA   1  -0.430   5.019   4.073
    5    HB1  ALA   1           HB1      ALA   1  -1.863   2.814   5.682
    6    HB2  ALA   1           HB2      ALA   1  -0.558   3.885   6.320
    7    HB3  ALA   1           HB3      ALA   1  -0.190   2.697   5.013
    8    H    MET   2           HN       MET   2  -2.421   5.548   2.251
    9    HA   MET   2           HA       MET   2  -2.718   2.928   0.952
   10    HB2  MET   2           HB2      MET   2  -4.635   5.331   0.790
   11    HB3  MET   2           HB1      MET   2  -4.786   3.814  -0.163
   12    HG2  MET   2           HG2      MET   2  -5.096   2.501   1.928
   13    HG3  MET   2           HG1      MET   2  -4.913   3.992   2.905
   14    HE1  MET   2           HE1      MET   2  -8.611   3.139   3.485
   15    HE2  MET   2           HE2      MET   2  -7.036   3.634   4.197
   16    HE3  MET   2           HE3      MET   2  -7.178   2.060   3.343
   17    H    ARG   3           HN       ARG   3  -2.022   2.889  -1.233
   18    HA   ARG   3           HA       ARG   3  -0.904   5.432  -2.072
   19    HB2  ARG   3           HB2      ARG   3   0.352   3.052  -2.119
   20    HB3  ARG   3           HB1      ARG   3  -0.546   2.897  -3.666
   21    HG2  ARG   3           HG2      ARG   3   0.534   5.516  -3.735
   22    HG3  ARG   3           HG1      ARG   3   1.840   4.508  -3.017
   23    HD2  ARG   3           HD2      ARG   3   1.819   2.980  -4.949
   24    HD3  ARG   3           HD1      ARG   3   0.348   3.805  -5.633
   25    HE   ARG   3           HE       ARG   3   2.433   5.762  -5.226
   26   HH11  ARG   3          HH11      ARG   3   1.570   2.936  -7.214
   27   HH12  ARG   3          HH12      ARG   3   2.418   3.475  -8.624
   28   HH21  ARG   3          HH21      ARG   3   3.578   6.502  -7.142
   29   HH22  ARG   3          HH22      ARG   3   3.583   5.538  -8.581
   30    H    ILE   4           HN       ILE   4  -3.178   6.076  -2.223
   31    HA   ILE   4           HA       ILE   4  -4.155   5.351  -4.882
   32    HB   ILE   4           HB       ILE   4  -6.344   6.155  -4.061
   33   HG12  ILE   4          HG12      ILE   4  -4.918   6.116  -1.341
   34   HG13  ILE   4          HG11      ILE   4  -5.447   7.580  -2.244
   35   HG21  ILE   4          HG21      ILE   4  -6.758   4.037  -2.620
   36   HG22  ILE   4          HG22      ILE   4  -4.972   3.766  -2.652
   37   HG23  ILE   4          HG23      ILE   4  -5.919   3.732  -4.190
   38   HD11  ILE   4          HD11      ILE   4  -7.185   7.233  -0.646
   39   HD12  ILE   4          HD12      ILE   4  -7.191   5.446  -0.891
   40   HD13  ILE   4          HD13      ILE   4  -7.857   6.534  -2.168
   41    H    SER   5           HN       SER   5  -2.947   7.665  -2.659
   42    HA   SER   5           HA       SER   5  -3.801   9.772  -4.508
   43    HB2  SER   5           HB2      SER   5  -3.637  11.396  -2.567
   44    HB3  SER   5           HB1      SER   5  -4.915  10.144  -2.315
   45    HG   SER   5           HG       SER   5  -2.331  10.341  -1.192
   46    H    ARG   6           HN       ARG   6  -1.346   8.097  -4.788
   47    HA   ARG   6           HA       ARG   6   0.367  10.365  -4.717
   48    HB2  ARG   6           HB2      ARG   6   1.025   9.222  -2.636
   49    HB3  ARG   6           HB1      ARG   6   1.102   7.653  -3.514
   50    HG2  ARG   6           HG2      ARG   6   3.340   8.922  -3.053
   51    HG3  ARG   6           HG1      ARG   6   3.056   8.233  -4.683
   52    HD2  ARG   6           HD2      ARG   6   3.983  10.529  -4.920
   53    HD3  ARG   6           HD1      ARG   6   2.247  10.532  -5.473
   54    HE   ARG   6           HE       ARG   6   1.681  11.836  -3.559
   55   HH11  ARG   6          HH11      ARG   6   5.030  10.624  -3.363
   56   HH12  ARG   6          HH12      ARG   6   5.477  11.633  -2.028
   57   HH21  ARG   6          HH21      ARG   6   2.294  13.204  -1.746
   58   HH22  ARG   6          HH22      ARG   6   3.896  13.122  -1.095
   59    H    ILE   7           HN       ILE   7  -1.176   9.410  -6.667
   60    HA   ILE   7           HA       ILE   7   0.849   8.420  -8.468
   61    HB   ILE   7           HB       ILE   7  -2.045   7.658  -8.866
   62   HG12  ILE   7          HG12      ILE   7  -1.062   5.378  -7.718
   63   HG13  ILE   7          HG11      ILE   7  -0.122   6.599  -6.790
   64   HG21  ILE   7          HG21      ILE   7  -1.001   5.813 -10.171
   65   HG22  ILE   7          HG22      ILE   7   0.641   6.298  -9.600
   66   HG23  ILE   7          HG23      ILE   7  -0.295   7.392 -10.688
   67   HD11  ILE   7          HD11      ILE   7  -2.126   6.176  -5.523
   68   HD12  ILE   7          HD12      ILE   7  -3.181   6.351  -6.977
   69   HD13  ILE   7          HD13      ILE   7  -2.338   7.792  -6.291
   70    H    ILE   8           HN       ILE   8  -2.201   9.969  -7.735
   71    HA   ILE   8           HA       ILE   8  -2.159  11.592 -10.052
   72    HB   ILE   8           HB       ILE   8  -3.421  12.333  -7.383
   73   HG12  ILE   8          HG12      ILE   8  -5.451  10.929  -8.363
   74   HG13  ILE   8          HG11      ILE   8  -4.149  10.021  -9.209
   75   HG21  ILE   8          HG21      ILE   8  -3.681  13.982  -9.158
   76   HG22  ILE   8          HG22      ILE   8  -5.261  13.117  -9.046
   77   HG23  ILE   8          HG23      ILE   8  -4.108  12.721 -10.377
   78   HD11  ILE   8          HD11      ILE   8  -3.259  10.329  -6.471
   79   HD12  ILE   8          HD12      ILE   8  -3.790   8.818  -7.305
   80   HD13  ILE   8          HD13      ILE   8  -4.994   9.816  -6.401
   81    H    LEU   9           HN       LEU   9  -1.118  11.729  -6.640
   82    HA   LEU   9           HA       LEU   9  -0.139  14.297  -7.118
   83    HB2  LEU   9           HB2      LEU   9   0.311  12.172  -5.048
   84    HB3  LEU   9           HB1      LEU   9   1.326  13.649  -5.084
   85    HG   LEU   9           HG       LEU   9  -0.592  13.868  -3.485
   86   HD11  LEU   9          HD11      LEU   9  -1.620  15.973  -5.076
   87   HD12  LEU   9          HD12      LEU   9   0.041  15.716  -5.737
   88   HD13  LEU   9          HD13      LEU   9  -0.190  16.065  -3.979
   89   HD21  LEU   9          HD21      LEU   9  -2.874  13.759  -4.144
   90   HD22  LEU   9          HD22      LEU   9  -2.122  12.405  -5.076
   91   HD23  LEU   9          HD23      LEU   9  -2.487  13.974  -5.898
   92    H    DAS  10           HN       DAS  10   0.738  11.038  -7.599
   93    HA   DAS  10           HA       DAS  10   2.532  10.134  -8.376
   94    HB2  DAS  10           HB2      DAS  10   4.061  12.732  -8.347
   95    HB3  DAS  10           HB1      DAS  10   3.737  11.856  -6.803
   96    H    PHE  11           HN       PHE  11   0.812  12.676  -9.525
   97    HA   PHE  11           HA       PHE  11   2.107  12.542 -12.171
   98    HB2  PHE  11           HB2      PHE  11  -0.016  12.080 -13.063
   99    HB3  PHE  11           HB1      PHE  11  -0.665  12.075 -11.365
  100    HD1  PHE  11           HD1      PHE  11   0.221  14.378 -14.169
  101    HD2  PHE  11           HD2      PHE  11  -1.970  13.658 -10.665
  102    HE1  PHE  11           HE1      PHE  11  -0.744  16.593 -14.304
  103    HE2  PHE  11           HE2      PHE  11  -2.853  15.801 -10.676
  104    HZ   PHE  11           HZ       PHE  11  -2.347  17.361 -12.569
  105    H    LEU  12           HN       LEU  12   0.803  14.338  -9.398
  106    HA   LEU  12           HA       LEU  12   0.529  16.817 -10.599
  107    HB2  LEU  12           HB2      LEU  12   0.790  15.635  -7.949
  108    HB3  LEU  12           HB1      LEU  12   1.404  17.321  -7.983
  109    HG   LEU  12           HG       LEU  12  -0.704  17.622  -7.346
  110   HD11  LEU  12          HD11      LEU  12  -1.309  17.513 -10.337
  111   HD12  LEU  12          HD12      LEU  12  -0.267  18.774  -9.584
  112   HD13  LEU  12          HD13      LEU  12  -2.001  18.627  -9.099
  113   HD21  LEU  12          HD21      LEU  12  -1.449  15.386  -7.195
  114   HD22  LEU  12          HD22      LEU  12  -1.471  15.198  -8.985
  115   HD23  LEU  12          HD23      LEU  12  -2.695  16.246  -8.182
  116    H    PHE  13           HN       PHE  13   3.344  15.530  -8.771
  117    HA   PHE  13           HA       PHE  13   4.649  18.017  -9.246
  118    HB2  PHE  13           HB2      PHE  13   6.210  15.600  -8.285
  119    HB3  PHE  13           HB1      PHE  13   6.302  17.326  -7.714
  120    HD1  PHE  13           HD1      PHE  13   5.255  14.194  -6.939
  121    HD2  PHE  13           HD2      PHE  13   4.002  18.223  -6.996
  122    HE1  PHE  13           HE1      PHE  13   3.463  13.662  -5.452
  123    HE2  PHE  13           HE2      PHE  13   2.222  17.702  -5.484
  124    HZ   PHE  13           HZ       PHE  13   1.943  15.430  -4.701
  125    H    LEU  14           HN       LEU  14   3.724  15.870 -11.233
  126    HA   LEU  14           HA       LEU  14   6.251  15.657 -12.636
  127    HB2  LEU  14           HB2      LEU  14   3.769  13.908 -12.801
  128    HB3  LEU  14           HB1      LEU  14   5.238  13.694 -13.832
  129    HG   LEU  14           HG       LEU  14   4.930  13.259 -10.798
  130   HD11  LEU  14          HD11      LEU  14   5.512  10.993 -11.254
  131   HD12  LEU  14          HD12      LEU  14   6.271  11.385 -12.842
  132   HD13  LEU  14          HD13      LEU  14   4.477  11.434 -12.665
  133   HD21  LEU  14          HD21      LEU  14   7.016  14.309 -10.673
  134   HD22  LEU  14          HD22      LEU  14   7.473  13.902 -12.370
  135   HD23  LEU  14          HD23      LEU  14   7.552  12.638 -11.086
  136    H    ARG  15           HN       ARG  15   3.223  17.243 -12.596
  137    HA   ARG  15           HA       ARG  15   2.727  17.091 -15.383
  138    HB2  ARG  15           HB2      ARG  15   1.045  18.750 -15.073
  139    HB3  ARG  15           HB1      ARG  15   0.924  17.531 -13.746
  140    HG2  ARG  15           HG2      ARG  15   2.459  19.245 -12.432
  141    HG3  ARG  15           HG1      ARG  15   1.894  20.406 -13.681
  142    HD2  ARG  15           HD2      ARG  15  -0.518  19.442 -13.071
  143    HD3  ARG  15           HD1      ARG  15   0.317  18.979 -11.522
  144    HE   ARG  15           HE       ARG  15   1.052  21.666 -12.014
  145   HH11  ARG  15          HH11      ARG  15  -1.931  19.776 -11.552
  146   HH12  ARG  15          HH12      ARG  15  -2.814  21.065 -10.804
  147   HH21  ARG  15          HH21      ARG  15  -0.148  23.418 -11.001
  148   HH22  ARG  15          HH22      ARG  15  -1.783  23.171 -10.485
  149    H    LYS  16           HN       LYS  16   4.585  19.091 -13.219
  150    HA   LYS  16           HA       LYS  16   6.066  20.352 -15.069
  151    HB2  LYS  16           HB2      LYS  16   4.975  22.450 -15.619
  152    HB3  LYS  16           HB1      LYS  16   3.749  21.170 -15.931
  153    HG2  LYS  16           HG2      LYS  16   2.376  22.469 -14.725
  154    HG3  LYS  16           HG1      LYS  16   3.181  21.707 -13.320
  155    HD2  LYS  16           HD2      LYS  16   4.761  23.614 -13.138
  156    HD3  LYS  16           HD1      LYS  16   4.064  24.362 -14.615
  157    HE2  LYS  16           HE2      LYS  16   1.849  24.618 -13.445
  158    HE3  LYS  16           HE1      LYS  16   2.563  23.877 -11.952
  159    HZ1  LYS  16           HZ1      LYS  16   2.749  26.532 -12.940
  160    HZ2  LYS  16           HZ2      LYS  16   4.297  25.870 -12.714
  161    HZ3  LYS  16           HZ3      LYS  16   3.187  25.894 -11.429
  162    H    LYS  17           HN       LYS  17   4.158  20.289 -12.153
  163    HA   LYS  17           HA       LYS  17   5.389  22.314 -10.735
  164    HB2  LYS  17           HB2      LYS  17   3.888  19.754 -10.051
  165    HB3  LYS  17           HB1      LYS  17   4.682  20.705  -8.728
  166    HG2  LYS  17           HG2      LYS  17   3.406  22.726  -9.359
  167    HG3  LYS  17           HG1      LYS  17   2.693  21.868 -10.772
  168    HD2  LYS  17           HD2      LYS  17   1.029  21.875  -9.026
  169    HD3  LYS  17           HD1      LYS  17   1.666  20.200  -9.145
  170    HE2  LYS  17           HE2      LYS  17   3.087  20.555  -7.133
  171    HE3  LYS  17           HE1      LYS  17   2.566  22.290  -7.045
  172    HZ1  LYS  17           HZ1      LYS  17   0.490  20.228  -7.106
  173    HZ2  LYS  17           HZ2      LYS  17   0.545  21.718  -6.294
  174    HZ3  LYS  17           HZ3      LYS  17   1.408  20.388  -5.687
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  -0.567   6.368   4.142
    2    H2   ALA   1           HT2      ALA   1  -0.060   5.353   2.877
    3    H3   ALA   1           HT3      ALA   1   0.689   5.255   4.399
    4    HA   ALA   1           HA       ALA   1  -0.678   3.644   4.892
    5    HB1  ALA   1           HB1      ALA   1  -3.055   4.298   5.495
    6    HB2  ALA   1           HB2      ALA   1  -2.800   5.864   4.636
    7    HB3  ALA   1           HB3      ALA   1  -1.845   5.482   6.118
    8    H    MET   2           HN       MET   2  -2.266   5.588   2.259
    9    HA   MET   2           HA       MET   2  -2.849   3.008   0.980
   10    HB2  MET   2           HB2      MET   2  -4.569   5.560   0.900
   11    HB3  MET   2           HB1      MET   2  -4.882   4.065  -0.048
   12    HG2  MET   2           HG2      MET   2  -5.214   2.774   2.055
   13    HG3  MET   2           HG1      MET   2  -4.868   4.241   3.025
   14    HE1  MET   2           HE1      MET   2  -7.225   2.511   3.572
   15    HE2  MET   2           HE2      MET   2  -8.602   3.654   3.737
   16    HE3  MET   2           HE3      MET   2  -6.993   4.086   4.408
   17    H    ARG   3           HN       ARG   3  -2.271   2.933  -1.243
   18    HA   ARG   3           HA       ARG   3  -0.998   5.390  -2.125
   19    HB2  ARG   3           HB2      ARG   3   0.321   3.208  -2.262
   20    HB3  ARG   3           HB1      ARG   3  -0.915   2.632  -3.433
   21    HG2  ARG   3           HG2      ARG   3   0.821   3.457  -4.815
   22    HG3  ARG   3           HG1      ARG   3  -0.397   4.779  -4.789
   23    HD2  ARG   3           HD2      ARG   3   1.824   5.792  -4.519
   24    HD3  ARG   3           HD1      ARG   3   0.984   5.888  -2.909
   25    HE   ARG   3           HE       ARG   3   2.473   3.422  -3.040
   26   HH11  ARG   3          HH11      ARG   3   2.911   6.956  -2.913
   27   HH12  ARG   3          HH12      ARG   3   4.414   6.893  -2.056
   28   HH21  ARG   3          HH21      ARG   3   4.517   3.337  -1.874
   29   HH22  ARG   3          HH22      ARG   3   5.342   4.801  -1.455
   30    H    ILE   4           HN       ILE   4  -3.188   6.230  -2.213
   31    HA   ILE   4           HA       ILE   4  -4.319   5.561  -4.826
   32    HB   ILE   4           HB       ILE   4  -6.433   6.463  -3.919
   33   HG12  ILE   4          HG12      ILE   4  -4.921   6.312  -1.252
   34   HG13  ILE   4          HG11      ILE   4  -5.388   7.816  -2.122
   35   HG21  ILE   4          HG21      ILE   4  -6.927   4.355  -2.514
   36   HG22  ILE   4          HG22      ILE   4  -5.156   3.997  -2.554
   37   HG23  ILE   4          HG23      ILE   4  -6.109   4.016  -4.087
   38   HD11  ILE   4          HD11      ILE   4  -7.226   5.769  -0.754
   39   HD12  ILE   4          HD12      ILE   4  -7.852   6.941  -1.975
   40   HD13  ILE   4          HD13      ILE   4  -7.085   7.542  -0.456
   41    H    SER   5           HN       SER   5  -2.845   7.761  -2.683
   42    HA   SER   5           HA       SER   5  -3.722   9.944  -4.435
   43    HB2  SER   5           HB2      SER   5  -3.439  11.531  -2.478
   44    HB3  SER   5           HB1      SER   5  -4.750  10.319  -2.203
   45    HG   SER   5           HG       SER   5  -2.150  10.458  -1.130
   46    H    ARG   6           HN       ARG   6  -1.324   8.187  -4.770
   47    HA   ARG   6           HA       ARG   6   0.429  10.408  -4.827
   48    HB2  ARG   6           HB2      ARG   6   0.796   8.601  -2.764
   49    HB3  ARG   6           HB1      ARG   6   1.867   7.937  -4.059
   50    HG2  ARG   6           HG2      ARG   6   1.815  10.832  -3.071
   51    HG3  ARG   6           HG1      ARG   6   3.066   9.608  -2.645
   52    HD2  ARG   6           HD2      ARG   6   2.454  10.317  -5.593
   53    HD3  ARG   6           HD1      ARG   6   3.620  11.306  -4.598
   54    HE   ARG   6           HE       ARG   6   4.020   8.524  -5.561
   55   HH11  ARG   6          HH11      ARG   6   4.976  11.107  -3.294
   56   HH12  ARG   6          HH12      ARG   6   6.567  10.482  -3.014
   57   HH21  ARG   6          HH21      ARG   6   6.181   7.681  -5.179
   58   HH22  ARG   6          HH22      ARG   6   7.262   8.503  -4.106
   59    H    ILE   7           HN       ILE   7  -1.137   9.427  -6.690
   60    HA   ILE   7           HA       ILE   7   0.831   8.349  -8.496
   61    HB   ILE   7           HB       ILE   7  -2.102   7.672  -8.782
   62   HG12  ILE   7          HG12      ILE   7  -1.128   5.383  -7.638
   63   HG13  ILE   7          HG11      ILE   7  -0.114   6.594  -6.777
   64   HG21  ILE   7          HG21      ILE   7   0.527   6.264  -9.630
   65   HG22  ILE   7          HG22      ILE   7  -0.487   7.317 -10.689
   66   HG23  ILE   7          HG23      ILE   7  -1.144   5.752 -10.077
   67   HD11  ILE   7          HD11      ILE   7  -1.987   6.371  -5.361
   68   HD12  ILE   7          HD12      ILE   7  -3.160   6.288  -6.733
   69   HD13  ILE   7          HD13      ILE   7  -2.370   7.855  -6.307
   70    H    ILE   8           HN       ILE   8  -2.157   9.999  -7.732
   71    HA   ILE   8           HA       ILE   8  -2.105  11.585 -10.074
   72    HB   ILE   8           HB       ILE   8  -3.348  12.386  -7.416
   73   HG12  ILE   8          HG12      ILE   8  -5.398  10.989  -8.374
   74   HG13  ILE   8          HG11      ILE   8  -4.102  10.043  -9.187
   75   HG21  ILE   8          HG21      ILE   8  -5.184  13.164  -9.084
   76   HG22  ILE   8          HG22      ILE   8  -4.046  12.724 -10.413
   77   HG23  ILE   8          HG23      ILE   8  -3.592  14.003  -9.222
   78   HD11  ILE   8          HD11      ILE   8  -3.825   8.875  -7.246
   79   HD12  ILE   8          HD12      ILE   8  -4.947   9.975  -6.356
   80   HD13  ILE   8          HD13      ILE   8  -3.187  10.382  -6.482
   81    H    LEU   9           HN       LEU   9  -1.057  11.762  -6.661
   82    HA   LEU   9           HA       LEU   9  -0.047  14.308  -7.185
   83    HB2  LEU   9           HB2      LEU   9   0.386  12.213  -5.078
   84    HB3  LEU   9           HB1      LEU   9   1.414  13.679  -5.142
   85    HG   LEU   9           HG       LEU   9  -0.500  13.940  -3.543
   86   HD11  LEU   9          HD11      LEU   9   0.155  15.749  -5.822
   87   HD12  LEU   9          HD12      LEU   9  -0.070  16.125  -4.067
   88   HD13  LEU   9          HD13      LEU   9  -1.501  16.036  -5.163
   89   HD21  LEU   9          HD21      LEU   9  -2.786  13.859  -4.206
   90   HD22  LEU   9          HD22      LEU   9  -2.050  12.474  -5.106
   91   HD23  LEU   9          HD23      LEU   9  -2.389  14.029  -5.962
   92    H    DAS  10           HN       DAS  10   0.776  11.038  -7.604
   93    HA   DAS  10           HA       DAS  10   2.560  10.082  -8.366
   94    HB2  DAS  10           HB2      DAS  10   4.145  12.643  -8.421
   95    HB3  DAS  10           HB1      DAS  10   3.781  11.859  -6.840
   96    H    PHE  11           HN       PHE  11   0.869  12.620  -9.566
   97    HA   PHE  11           HA       PHE  11   2.163  12.419 -12.208
   98    HB2  PHE  11           HB2      PHE  11   0.035  11.971 -13.093
   99    HB3  PHE  11           HB1      PHE  11  -0.612  12.003 -11.394
  100    HD1  PHE  11           HD1      PHE  11   0.290  14.247 -14.242
  101    HD2  PHE  11           HD2      PHE  11  -1.893  13.610 -10.718
  102    HE1  PHE  11           HE1      PHE  11  -0.660  16.467 -14.416
  103    HE2  PHE  11           HE2      PHE  11  -2.759  15.759 -10.764
  104    HZ   PHE  11           HZ       PHE  11  -2.254  17.275 -12.687
  105    H    LEU  12           HN       LEU  12   0.900  14.289  -9.469
  106    HA   LEU  12           HA       LEU  12   0.673  16.748 -10.723
  107    HB2  LEU  12           HB2      LEU  12   0.893  15.615  -8.052
  108    HB3  LEU  12           HB1      LEU  12   1.554  17.281  -8.111
  109    HG   LEU  12           HG       LEU  12  -0.542  17.672  -7.511
  110   HD11  LEU  12          HD11      LEU  12  -0.034  18.620  -9.900
  111   HD12  LEU  12          HD12      LEU  12  -1.718  18.742  -9.255
  112   HD13  LEU  12          HD13      LEU  12  -1.296  17.460 -10.450
  113   HD21  LEU  12          HD21      LEU  12  -2.566  16.312  -8.262
  114   HD22  LEU  12          HD22      LEU  12  -1.319  15.445  -7.278
  115   HD23  LEU  12          HD23      LEU  12  -1.385  15.211  -9.061
  116    H    PHE  13           HN       PHE  13   3.463  15.454  -8.850
  117    HA   PHE  13           HA       PHE  13   4.804  17.910  -9.362
  118    HB2  PHE  13           HB2      PHE  13   6.325  15.467  -8.388
  119    HB3  PHE  13           HB1      PHE  13   6.463  17.198  -7.841
  120    HD1  PHE  13           HD1      PHE  13   5.340  14.106  -7.014
  121    HD2  PHE  13           HD2      PHE  13   4.190  18.164  -7.126
  122    HE1  PHE  13           HE1      PHE  13   3.536  13.641  -5.521
  123    HE2  PHE  13           HE2      PHE  13   2.398  17.710  -5.604
  124    HZ   PHE  13           HZ       PHE  13   2.060  15.456  -4.793
  125    H    LEU  14           HN       LEU  14   3.839  15.733 -11.314
  126    HA   LEU  14           HA       LEU  14   6.344  15.501 -12.748
  127    HB2  LEU  14           HB2      LEU  14   3.839  13.779 -12.902
  128    HB3  LEU  14           HB1      LEU  14   5.310  13.544 -13.924
  129    HG   LEU  14           HG       LEU  14   4.992  13.142 -10.884
  130   HD11  LEU  14          HD11      LEU  14   4.485  11.302 -12.714
  131   HD12  LEU  14          HD12      LEU  14   5.539  10.857 -11.317
  132   HD13  LEU  14          HD13      LEU  14   6.274  11.219 -12.923
  133   HD21  LEU  14          HD21      LEU  14   7.597  12.464 -11.170
  134   HD22  LEU  14          HD22      LEU  14   7.100  14.153 -10.784
  135   HD23  LEU  14          HD23      LEU  14   7.543  13.707 -12.476
  136    H    ARG  15           HN       ARG  15   3.395  17.225 -12.687
  137    HA   ARG  15           HA       ARG  15   3.051  17.069 -15.546
  138    HB2  ARG  15           HB2      ARG  15   1.278  18.812 -15.189
  139    HB3  ARG  15           HB1      ARG  15   0.992  17.183 -14.481
  140    HG2  ARG  15           HG2      ARG  15   0.955  17.971 -12.357
  141    HG3  ARG  15           HG1      ARG  15   2.389  19.021 -12.624
  142    HD2  ARG  15           HD2      ARG  15   0.652  20.586 -12.230
  143    HD3  ARG  15           HD1      ARG  15   0.729  20.500 -14.048
  144    HE   ARG  15           HE       ARG  15  -1.131  18.517 -13.104
  145   HH11  ARG  15          HH11      ARG  15  -0.669  22.039 -13.359
  146   HH12  ARG  15          HH12      ARG  15  -2.355  22.407 -13.503
  147   HH21  ARG  15          HH21      ARG  15  -3.430  19.018 -13.302
  148   HH22  ARG  15          HH22      ARG  15  -3.950  20.660 -13.470
  149    H    LYS  16           HN       LYS  16   4.423  19.134 -13.080
  150    HA   LYS  16           HA       LYS  16   5.964  20.595 -14.746
  151    HB2  LYS  16           HB2      LYS  16   4.745  22.678 -15.193
  152    HB3  LYS  16           HB1      LYS  16   3.760  21.311 -15.823
  153    HG2  LYS  16           HG2      LYS  16   2.068  22.324 -14.725
  154    HG3  LYS  16           HG1      LYS  16   2.731  21.446 -13.309
  155    HD2  LYS  16           HD2      LYS  16   2.707  23.539 -12.353
  156    HD3  LYS  16           HD1      LYS  16   4.285  23.704 -13.199
  157    HE2  LYS  16           HE2      LYS  16   3.154  24.844 -15.123
  158    HE3  LYS  16           HE1      LYS  16   1.549  24.648 -14.302
  159    HZ1  LYS  16           HZ1      LYS  16   2.627  26.825 -14.003
  160    HZ2  LYS  16           HZ2      LYS  16   3.873  26.080 -13.122
  161    HZ3  LYS  16           HZ3      LYS  16   2.277  26.029 -12.545
  162    H    LYS  17           HN       LYS  17   3.809  20.298 -12.009
  163    HA   LYS  17           HA       LYS  17   4.791  22.327 -10.410
  164    HB2  LYS  17           HB2      LYS  17   3.609  19.558  -9.804
  165    HB3  LYS  17           HB1      LYS  17   3.966  20.768  -8.510
  166    HG2  LYS  17           HG2      LYS  17   2.130  21.313 -10.923
  167    HG3  LYS  17           HG1      LYS  17   1.541  20.706  -9.334
  168    HD2  LYS  17           HD2      LYS  17   2.531  22.760  -8.231
  169    HD3  LYS  17           HD1      LYS  17   3.013  23.368  -9.852
  170    HE2  LYS  17           HE2      LYS  17   0.605  23.408 -10.563
  171    HE3  LYS  17           HE1      LYS  17   0.116  22.787  -8.931
  172    HZ1  LYS  17           HZ1      LYS  17   1.843  25.076  -8.811
  173    HZ2  LYS  17           HZ2      LYS  17   0.343  24.784  -8.070
  174    HZ3  LYS  17           HZ3      LYS  17   0.404  25.380  -9.658
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  -1.026   6.606   4.181
    2    H2   ALA   1           HT2      ALA   1  -0.327   5.622   2.986
    3    H3   ALA   1           HT3      ALA   1   0.329   5.652   4.553
    4    HA   ALA   1           HA       ALA   1  -0.873   3.903   5.008
    5    HB1  ALA   1           HB1      ALA   1  -3.207   5.871   4.581
    6    HB2  ALA   1           HB2      ALA   1  -2.303   5.620   6.122
    7    HB3  ALA   1           HB3      ALA   1  -3.341   4.300   5.461
    8    H    MET   2           HN       MET   2  -2.496   5.603   2.233
    9    HA   MET   2           HA       MET   2  -2.725   2.947   1.000
   10    HB2  MET   2           HB2      MET   2  -4.720   5.285   0.838
   11    HB3  MET   2           HB1      MET   2  -4.791   3.814  -0.191
   12    HG2  MET   2           HG2      MET   2  -5.126   2.382   1.799
   13    HG3  MET   2           HG1      MET   2  -4.954   3.800   2.881
   14    HE1  MET   2           HE1      MET   2  -6.768   1.850   0.311
   15    HE2  MET   2           HE2      MET   2  -7.001   3.350  -0.649
   16    HE3  MET   2           HE3      MET   2  -8.414   2.545   0.114
   17    H    ARG   3           HN       ARG   3  -2.014   2.889  -1.185
   18    HA   ARG   3           HA       ARG   3  -0.903   5.428  -2.033
   19    HB2  ARG   3           HB2      ARG   3   0.330   3.035  -2.089
   20    HB3  ARG   3           HB1      ARG   3  -0.567   2.899  -3.639
   21    HG2  ARG   3           HG2      ARG   3   0.540   5.509  -3.685
   22    HG3  ARG   3           HG1      ARG   3   1.835   4.479  -2.978
   23    HD2  ARG   3           HD2      ARG   3   1.813   2.980  -4.924
   24    HD3  ARG   3           HD1      ARG   3   0.332   3.800  -5.593
   25    HE   ARG   3           HE       ARG   3   2.401   5.772  -5.193
   26   HH11  ARG   3          HH11      ARG   3   1.570   2.934  -7.180
   27   HH12  ARG   3          HH12      ARG   3   2.412   3.483  -8.590
   28   HH21  ARG   3          HH21      ARG   3   3.535   6.525  -7.112
   29   HH22  ARG   3          HH22      ARG   3   3.551   5.560  -8.550
   30    H    ILE   4           HN       ILE   4  -3.170   6.093  -2.181
   31    HA   ILE   4           HA       ILE   4  -4.152   5.393  -4.843
   32    HB   ILE   4           HB       ILE   4  -6.329   6.235  -4.027
   33   HG12  ILE   4          HG12      ILE   4  -4.909   6.166  -1.304
   34   HG13  ILE   4          HG11      ILE   4  -5.413   7.640  -2.206
   35   HG21  ILE   4          HG21      ILE   4  -5.867   3.793  -4.157
   36   HG22  ILE   4          HG22      ILE   4  -6.822   4.121  -2.663
   37   HG23  ILE   4          HG23      ILE   4  -5.041   3.835  -2.552
   38   HD11  ILE   4          HD11      ILE   4  -7.286   7.475  -0.865
   39   HD12  ILE   4          HD12      ILE   4  -7.084   5.701  -0.605
   40   HD13  ILE   4          HD13      ILE   4  -7.825   6.310  -2.133
   41    H    SER   5           HN       SER   5  -2.920   7.684  -2.600
   42    HA   SER   5           HA       SER   5  -3.710   9.802  -4.472
   43    HB2  SER   5           HB2      SER   5  -4.745   9.948  -2.068
   44    HB3  SER   5           HB1      SER   5  -3.059  10.287  -1.510
   45    HG   SER   5           HG       SER   5  -3.016  12.063  -2.836
   46    H    ARG   6           HN       ARG   6  -1.358   8.191  -4.910
   47    HA   ARG   6           HA       ARG   6   0.436  10.366  -4.729
   48    HB2  ARG   6           HB2      ARG   6   1.080   9.168  -2.676
   49    HB3  ARG   6           HB1      ARG   6   1.101   7.612  -3.578
   50    HG2  ARG   6           HG2      ARG   6   3.380   8.807  -3.116
   51    HG3  ARG   6           HG1      ARG   6   3.063   8.148  -4.753
   52    HD2  ARG   6           HD2      ARG   6   4.060  10.417  -4.969
   53    HD3  ARG   6           HD1      ARG   6   2.321  10.483  -5.507
   54    HE   ARG   6           HE       ARG   6   1.813  11.778  -3.570
   55   HH11  ARG   6          HH11      ARG   6   5.127  10.465  -3.427
   56   HH12  ARG   6          HH12      ARG   6   5.617  11.441  -2.082
   57   HH21  ARG   6          HH21      ARG   6   2.484  13.100  -1.743
   58   HH22  ARG   6          HH22      ARG   6   4.091  12.962  -1.110
   59    H    ILE   7           HN       ILE   7  -1.189   9.377  -6.664
   60    HA   ILE   7           HA       ILE   7   0.818   8.418  -8.513
   61    HB   ILE   7           HB       ILE   7  -2.092   7.688  -8.860
   62   HG12  ILE   7          HG12      ILE   7  -1.103   5.393  -7.745
   63   HG13  ILE   7          HG11      ILE   7  -0.127   6.601  -6.836
   64   HG21  ILE   7          HG21      ILE   7  -1.085   5.836 -10.192
   65   HG22  ILE   7          HG22      ILE   7   0.571   6.324  -9.666
   66   HG23  ILE   7          HG23      ILE   7  -0.398   7.416 -10.726
   67   HD11  ILE   7          HD11      ILE   7  -2.347   7.814  -6.304
   68   HD12  ILE   7          HD12      ILE   7  -2.082   6.225  -5.499
   69   HD13  ILE   7          HD13      ILE   7  -3.188   6.342  -6.921
   70    H    ILE   8           HN       ILE   8  -2.163  10.040  -7.687
   71    HA   ILE   8           HA       ILE   8  -2.156  11.655 -10.011
   72    HB   ILE   8           HB       ILE   8  -3.316  12.405  -7.296
   73   HG12  ILE   8          HG12      ILE   8  -5.416  11.089  -8.248
   74   HG13  ILE   8          HG11      ILE   8  -4.167  10.156  -9.144
   75   HG21  ILE   8          HG21      ILE   8  -3.559  14.094  -9.041
   76   HG22  ILE   8          HG22      ILE   8  -5.168  13.294  -8.881
   77   HG23  ILE   8          HG23      ILE   8  -4.082  12.869 -10.259
   78   HD11  ILE   8          HD11      ILE   8  -3.773   8.912  -7.275
   79   HD12  ILE   8          HD12      ILE   8  -4.957   9.898  -6.333
   80   HD13  ILE   8          HD13      ILE   8  -3.218  10.397  -6.410
   81    H    LEU   9           HN       LEU   9  -1.002  11.754  -6.636
   82    HA   LEU   9           HA       LEU   9   0.037  14.294  -7.140
   83    HB2  LEU   9           HB2      LEU   9   0.505  12.148  -5.094
   84    HB3  LEU   9           HB1      LEU   9   1.552  13.601  -5.161
   85    HG   LEU   9           HG       LEU   9  -0.292  13.863  -3.491
   86   HD11  LEU   9          HD11      LEU   9  -1.344  15.980  -5.066
   87   HD12  LEU   9          HD12      LEU   9   0.300  15.697  -5.757
   88   HD13  LEU   9          HD13      LEU   9   0.107  16.055  -3.995
   89   HD21  LEU   9          HD21      LEU   9  -2.270  13.973  -5.841
   90   HD22  LEU   9          HD22      LEU   9  -2.609  13.825  -4.070
   91   HD23  LEU   9          HD23      LEU   9  -1.918  12.423  -4.980
   92    H    DAS  10           HN       DAS  10   0.795  11.012  -7.654
   93    HA   DAS  10           HA       DAS  10   2.531  10.053  -8.497
   94    HB2  DAS  10           HB2      DAS  10   4.146  12.597  -8.507
   95    HB3  DAS  10           HB1      DAS  10   3.841  11.727  -6.956
   96    H    PHE  11           HN       PHE  11   0.855  12.650  -9.583
   97    HA   PHE  11           HA       PHE  11   2.063  12.483 -12.268
   98    HB2  PHE  11           HB2      PHE  11  -0.098  12.088 -13.097
   99    HB3  PHE  11           HB1      PHE  11  -0.691  12.091 -11.378
  100    HD1  PHE  11           HD1      PHE  11   0.159  14.388 -14.198
  101    HD2  PHE  11           HD2      PHE  11  -1.931  13.695 -10.630
  102    HE1  PHE  11           HE1      PHE  11  -0.762  16.625 -14.292
  103    HE2  PHE  11           HE2      PHE  11  -2.765  15.858 -10.598
  104    HZ   PHE  11           HZ       PHE  11  -2.292  17.413 -12.498
  105    H    LEU  12           HN       LEU  12   0.911  14.310  -9.452
  106    HA   LEU  12           HA       LEU  12   0.688  16.802 -10.643
  107    HB2  LEU  12           HB2      LEU  12   0.969  15.603  -8.005
  108    HB3  LEU  12           HB1      LEU  12   1.653  17.262  -8.048
  109    HG   LEU  12           HG       LEU  12  -0.418  17.666  -7.375
  110   HD11  LEU  12          HD11      LEU  12  -1.618  18.804  -9.055
  111   HD12  LEU  12          HD12      LEU  12  -1.267  17.540 -10.291
  112   HD13  LEU  12          HD13      LEU  12   0.038  18.660  -9.760
  113   HD21  LEU  12          HD21      LEU  12  -1.223  15.446  -7.176
  114   HD22  LEU  12          HD22      LEU  12  -1.342  15.259  -8.963
  115   HD23  LEU  12          HD23      LEU  12  -2.483  16.354  -8.102
  116    H    PHE  13           HN       PHE  13   3.510  15.417  -8.889
  117    HA   PHE  13           HA       PHE  13   4.878  17.862  -9.386
  118    HB2  PHE  13           HB2      PHE  13   6.384  15.373  -8.512
  119    HB3  PHE  13           HB1      PHE  13   6.569  17.090  -7.933
  120    HD1  PHE  13           HD1      PHE  13   5.418  13.999  -7.138
  121    HD2  PHE  13           HD2      PHE  13   4.336  18.078  -7.128
  122    HE1  PHE  13           HE1      PHE  13   3.651  13.532  -5.600
  123    HE2  PHE  13           HE2      PHE  13   2.583  17.621  -5.562
  124    HZ   PHE  13           HZ       PHE  13   2.230  15.357  -4.788
  125    H    LEU  14           HN       LEU  14   3.816  15.741 -11.352
  126    HA   LEU  14           HA       LEU  14   6.272  15.499 -12.868
  127    HB2  LEU  14           HB2      LEU  14   3.734  13.823 -12.974
  128    HB3  LEU  14           HB1      LEU  14   5.165  13.584 -14.051
  129    HG   LEU  14           HG       LEU  14   4.942  13.121 -11.012
  130   HD11  LEU  14          HD11      LEU  14   5.442  10.839 -11.514
  131   HD12  LEU  14          HD12      LEU  14   6.129  11.228 -13.136
  132   HD13  LEU  14          HD13      LEU  14   4.350  11.330 -12.864
  133   HD21  LEU  14          HD21      LEU  14   7.066  14.105 -10.963
  134   HD22  LEU  14          HD22      LEU  14   7.450  13.680 -12.674
  135   HD23  LEU  14          HD23      LEU  14   7.525  12.415 -11.392
  136    H    ARG  15           HN       ARG  15   3.360  17.273 -12.683
  137    HA   ARG  15           HA       ARG  15   2.918  17.173 -15.531
  138    HB2  ARG  15           HB2      ARG  15   1.198  18.950 -15.083
  139    HB3  ARG  15           HB1      ARG  15   0.898  17.315 -14.397
  140    HG2  ARG  15           HG2      ARG  15   0.954  18.059 -12.257
  141    HG3  ARG  15           HG1      ARG  15   2.399  19.087 -12.555
  142    HD2  ARG  15           HD2      ARG  15   0.709  20.677 -12.070
  143    HD3  ARG  15           HD1      ARG  15   0.716  20.624 -13.891
  144    HE   ARG  15           HE       ARG  15  -1.145  18.659 -12.919
  145   HH11  ARG  15          HH11      ARG  15  -0.624  22.176 -13.106
  146   HH12  ARG  15          HH12      ARG  15  -2.306  22.580 -13.174
  147   HH21  ARG  15          HH21      ARG  15  -3.440  19.208 -13.013
  148   HH22  ARG  15          HH22      ARG  15  -3.933  20.863 -13.120
  149    H    LYS  16           HN       LYS  16   4.424  19.166 -13.084
  150    HA   LYS  16           HA       LYS  16   5.934  20.621 -14.781
  151    HB2  LYS  16           HB2      LYS  16   4.746  22.739 -15.146
  152    HB3  LYS  16           HB1      LYS  16   3.710  21.404 -15.766
  153    HG2  LYS  16           HG2      LYS  16   2.080  22.431 -14.590
  154    HG3  LYS  16           HG1      LYS  16   2.774  21.515 -13.214
  155    HD2  LYS  16           HD2      LYS  16   2.827  23.592 -12.223
  156    HD3  LYS  16           HD1      LYS  16   4.378  23.739 -13.122
  157    HE2  LYS  16           HE2      LYS  16   3.200  24.929 -14.988
  158    HE3  LYS  16           HE1      LYS  16   1.624  24.761 -14.104
  159    HZ1  LYS  16           HZ1      LYS  16   2.747  25.958 -12.241
  160    HZ2  LYS  16           HZ2      LYS  16   2.477  26.870 -13.648
  161    HZ3  LYS  16           HZ3      LYS  16   4.035  26.294 -13.296
  162    H    LYS  17           HN       LYS  17   3.872  20.323 -11.972
  163    HA   LYS  17           HA       LYS  17   4.958  22.302 -10.378
  164    HB2  LYS  17           HB2      LYS  17   3.729  19.552  -9.777
  165    HB3  LYS  17           HB1      LYS  17   4.164  20.729  -8.475
  166    HG2  LYS  17           HG2      LYS  17   2.257  21.367 -10.808
  167    HG3  LYS  17           HG1      LYS  17   1.710  20.746  -9.211
  168    HD2  LYS  17           HD2      LYS  17   2.794  22.751  -8.107
  169    HD3  LYS  17           HD1      LYS  17   3.235  23.377  -9.733
  170    HE2  LYS  17           HE2      LYS  17   0.805  23.495 -10.357
  171    HE3  LYS  17           HE1      LYS  17   0.357  22.857  -8.719
  172    HZ1  LYS  17           HZ1      LYS  17   0.644  24.838  -7.847
  173    HZ2  LYS  17           HZ2      LYS  17   0.719  25.461  -9.425
  174    HZ3  LYS  17           HZ3      LYS  17   2.149  25.085  -8.591
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  -0.690   5.546   2.995
    2    H2   ALA   1           HT2      ALA   1  -0.186   5.617   4.615
    3    H3   ALA   1           HT3      ALA   1  -1.631   6.374   4.142
    4    HA   ALA   1           HA       ALA   1  -1.151   3.697   4.924
    5    HB1  ALA   1           HB1      ALA   1  -2.920   5.143   5.927
    6    HB2  ALA   1           HB2      ALA   1  -3.683   3.710   5.140
    7    HB3  ALA   1           HB3      ALA   1  -3.704   5.313   4.311
    8    H    MET   2           HN       MET   2  -2.763   5.224   2.043
    9    HA   MET   2           HA       MET   2  -2.469   2.605   0.741
   10    HB2  MET   2           HB2      MET   2  -4.765   4.633   0.433
   11    HB3  MET   2           HB1      MET   2  -4.518   3.206  -0.632
   12    HG2  MET   2           HG2      MET   2  -4.832   1.665   1.276
   13    HG3  MET   2           HG1      MET   2  -4.967   3.047   2.408
   14    HE1  MET   2           HE1      MET   2  -7.926   1.416  -0.711
   15    HE2  MET   2           HE2      MET   2  -6.202   1.007  -0.409
   16    HE3  MET   2           HE3      MET   2  -6.625   2.493  -1.327
   17    H    ARG   3           HN       ARG   3  -1.471   2.732  -1.319
   18    HA   ARG   3           HA       ARG   3  -0.728   5.428  -2.031
   19    HB2  ARG   3           HB2      ARG   3   0.993   3.565  -2.044
   20    HB3  ARG   3           HB1      ARG   3   0.051   2.811  -3.376
   21    HG2  ARG   3           HG2      ARG   3   0.430   4.718  -4.833
   22    HG3  ARG   3           HG1      ARG   3   1.154   5.670  -3.492
   23    HD2  ARG   3           HD2      ARG   3   2.977   4.821  -4.886
   24    HD3  ARG   3           HD1      ARG   3   2.978   3.858  -3.339
   25    HE   ARG   3           HE       ARG   3   1.314   2.520  -5.274
   26   HH11  ARG   3          HH11      ARG   3   4.704   3.374  -4.595
   27   HH12  ARG   3          HH12      ARG   3   5.375   1.994  -5.397
   28   HH21  ARG   3          HH21      ARG   3   2.225   0.642  -6.367
   29   HH22  ARG   3          HH22      ARG   3   3.941   0.414  -6.423
   30    H    ILE   4           HN       ILE   4  -2.963   5.913  -2.419
   31    HA   ILE   4           HA       ILE   4  -3.617   5.172  -5.171
   32    HB   ILE   4           HB       ILE   4  -5.967   5.685  -4.527
   33   HG12  ILE   4          HG12      ILE   4  -4.783   5.576  -1.697
   34   HG13  ILE   4          HG11      ILE   4  -5.386   7.047  -2.537
   35   HG21  ILE   4          HG21      ILE   4  -4.506   3.359  -3.097
   36   HG22  ILE   4          HG22      ILE   4  -5.173   3.338  -4.774
   37   HG23  ILE   4          HG23      ILE   4  -6.291   3.428  -3.360
   38   HD11  ILE   4          HD11      ILE   4  -7.613   5.438  -2.784
   39   HD12  ILE   4          HD12      ILE   4  -7.335   6.561  -1.399
   40   HD13  ILE   4          HD13      ILE   4  -6.936   4.809  -1.234
   41    H    SER   5           HN       SER   5  -2.975   7.487  -2.699
   42    HA   SER   5           HA       SER   5  -3.973   9.583  -4.485
   43    HB2  SER   5           HB2      SER   5  -4.001  11.113  -2.479
   44    HB3  SER   5           HB1      SER   5  -5.088   9.688  -2.247
   45    HG   SER   5           HG       SER   5  -2.619  10.306  -1.086
   46    H    ARG   6           HN       ARG   6  -1.269   8.029  -4.415
   47    HA   ARG   6           HA       ARG   6   0.202  10.499  -4.446
   48    HB2  ARG   6           HB2      ARG   6   0.981   9.358  -2.417
   49    HB3  ARG   6           HB1      ARG   6   1.098   7.804  -3.310
   50    HG2  ARG   6           HG2      ARG   6   3.298   9.146  -2.864
   51    HG3  ARG   6           HG1      ARG   6   3.021   8.461  -4.499
   52    HD2  ARG   6           HD2      ARG   6   3.860  10.786  -4.733
   53    HD3  ARG   6           HD1      ARG   6   2.113  10.739  -5.248
   54    HE   ARG   6           HE       ARG   6   1.546  12.003  -3.307
   55   HH11  ARG   6          HH11      ARG   6   4.941  10.912  -3.209
   56   HH12  ARG   6          HH12      ARG   6   5.384  11.921  -1.873
   57   HH21  ARG   6          HH21      ARG   6   2.154  13.370  -1.492
   58   HH22  ARG   6          HH22      ARG   6   3.774  13.339  -0.881
   59    H    ILE   7           HN       ILE   7  -1.340   9.445  -6.356
   60    HA   ILE   7           HA       ILE   7   0.675   8.543  -8.224
   61    HB   ILE   7           HB       ILE   7  -1.999   7.989  -9.161
   62   HG12  ILE   7          HG12      ILE   7  -2.442   7.953  -6.656
   63   HG13  ILE   7          HG11      ILE   7  -2.854   6.448  -7.548
   64   HG21  ILE   7          HG21      ILE   7   0.504   6.308  -8.508
   65   HG22  ILE   7          HG22      ILE   7  -0.078   6.868 -10.121
   66   HG23  ILE   7          HG23      ILE   7  -0.988   5.592  -9.227
   67   HD11  ILE   7          HD11      ILE   7  -1.407   6.533  -5.195
   68   HD12  ILE   7          HD12      ILE   7  -0.068   6.525  -6.406
   69   HD13  ILE   7          HD13      ILE   7  -1.291   5.197  -6.403
   70    H    ILE   8           HN       ILE   8  -2.258  10.229  -7.386
   71    HA   ILE   8           HA       ILE   8  -2.255  11.828  -9.701
   72    HB   ILE   8           HB       ILE   8  -3.431  12.460  -6.953
   73   HG12  ILE   8          HG12      ILE   8  -5.545  11.344  -8.116
   74   HG13  ILE   8          HG11      ILE   8  -4.295  10.463  -9.062
   75   HG21  ILE   8          HG21      ILE   8  -5.169  13.635  -8.434
   76   HG22  ILE   8          HG22      ILE   8  -4.142  13.247  -9.865
   77   HG23  ILE   8          HG23      ILE   8  -3.507  14.324  -8.563
   78   HD11  ILE   8          HD11      ILE   8  -3.475  10.392  -6.262
   79   HD12  ILE   8          HD12      ILE   8  -3.977   9.022  -7.326
   80   HD13  ILE   8          HD13      ILE   8  -5.216   9.899  -6.350
   81    H    LEU   9           HN       LEU   9  -1.144  12.067  -6.310
   82    HA   LEU   9           HA       LEU   9  -0.134  14.597  -6.931
   83    HB2  LEU   9           HB2      LEU   9   0.218  12.586  -4.746
   84    HB3  LEU   9           HB1      LEU   9   1.378  13.951  -4.888
   85    HG   LEU   9           HG       LEU   9  -0.510  14.433  -3.282
   86   HD11  LEU   9          HD11      LEU   9  -1.298  16.600  -4.861
   87   HD12  LEU   9          HD12      LEU   9   0.253  16.115  -5.650
   88   HD13  LEU   9          HD13      LEU   9   0.221  16.523  -3.889
   89   HD21  LEU   9          HD21      LEU   9  -2.331  14.549  -5.768
   90   HD22  LEU   9          HD22      LEU   9  -2.797  14.689  -4.026
   91   HD23  LEU   9          HD23      LEU   9  -2.234  13.107  -4.687
   92    H    DAS  10           HN       DAS  10   0.680  11.314  -7.306
   93    HA   DAS  10           HA       DAS  10   2.476  10.353  -8.040
   94    HB2  DAS  10           HB2      DAS  10   4.076  12.895  -8.252
   95    HB3  DAS  10           HB1      DAS  10   3.713  12.244  -6.612
   96    H    PHE  11           HN       PHE  11   0.748  12.852  -9.281
   97    HA   PHE  11           HA       PHE  11   1.983  12.566 -11.945
   98    HB2  PHE  11           HB2      PHE  11  -0.172  12.123 -12.768
   99    HB3  PHE  11           HB1      PHE  11  -0.782  12.216 -11.059
  100    HD1  PHE  11           HD1      PHE  11   0.081  14.344 -13.999
  101    HD2  PHE  11           HD2      PHE  11  -2.010  13.877 -10.393
  102    HE1  PHE  11           HE1      PHE  11  -0.832  16.573 -14.228
  103    HE2  PHE  11           HE2      PHE  11  -2.839  16.037 -10.495
  104    HZ   PHE  11           HZ       PHE  11  -2.357  17.478 -12.487
  105    H    LEU  12           HN       LEU  12   0.807  14.527  -9.236
  106    HA   LEU  12           HA       LEU  12   0.569  16.954 -10.541
  107    HB2  LEU  12           HB2      LEU  12   0.862  15.881  -7.853
  108    HB3  LEU  12           HB1      LEU  12   1.542  17.538  -7.971
  109    HG   LEU  12           HG       LEU  12  -0.528  17.960  -7.307
  110   HD11  LEU  12          HD11      LEU  12  -1.365  17.714 -10.220
  111   HD12  LEU  12          HD12      LEU  12  -0.081  18.871  -9.716
  112   HD13  LEU  12          HD13      LEU  12  -1.747  19.014  -9.031
  113   HD21  LEU  12          HD21      LEU  12  -2.594  16.608  -8.041
  114   HD22  LEU  12          HD22      LEU  12  -1.366  15.792  -6.993
  115   HD23  LEU  12          HD23      LEU  12  -1.405  15.462  -8.762
  116    H    PHE  13           HN       PHE  13   3.407  15.659  -8.755
  117    HA   PHE  13           HA       PHE  13   4.771  18.081  -9.380
  118    HB2  PHE  13           HB2      PHE  13   6.294  15.660  -8.371
  119    HB3  PHE  13           HB1      PHE  13   6.448  17.403  -7.871
  120    HD1  PHE  13           HD1      PHE  13   5.386  14.342  -6.902
  121    HD2  PHE  13           HD2      PHE  13   4.162  18.374  -7.146
  122    HE1  PHE  13           HE1      PHE  13   3.629  13.911  -5.337
  123    HE2  PHE  13           HE2      PHE  13   2.420  17.953  -5.562
  124    HZ   PHE  13           HZ       PHE  13   2.144  15.729  -4.650
  125    H    LEU  14           HN       LEU  14   3.703  15.895 -11.247
  126    HA   LEU  14           HA       LEU  14   6.172  15.538 -12.722
  127    HB2  LEU  14           HB2      LEU  14   3.635  13.862 -12.733
  128    HB3  LEU  14           HB1      LEU  14   5.063  13.561 -13.799
  129    HG   LEU  14           HG       LEU  14   4.844  13.263 -10.740
  130   HD11  LEU  14          HD11      LEU  14   5.360  10.959 -11.120
  131   HD12  LEU  14          HD12      LEU  14   6.039  11.266 -12.763
  132   HD13  LEU  14          HD13      LEU  14   4.259  11.374 -12.490
  133   HD21  LEU  14          HD21      LEU  14   7.345  13.772 -12.420
  134   HD22  LEU  14          HD22      LEU  14   7.437  12.538 -11.107
  135   HD23  LEU  14          HD23      LEU  14   6.968  14.234 -10.717
  136    H    ARG  15           HN       ARG  15   3.212  17.269 -12.691
  137    HA   ARG  15           HA       ARG  15   2.646  16.933 -15.452
  138    HB2  ARG  15           HB2      ARG  15   1.108  18.804 -15.247
  139    HB3  ARG  15           HB1      ARG  15   0.832  17.547 -13.981
  140    HG2  ARG  15           HG2      ARG  15   2.488  19.126 -12.571
  141    HG3  ARG  15           HG1      ARG  15   1.919  20.360 -13.742
  142    HD2  ARG  15           HD2      ARG  15  -0.052  18.549 -12.270
  143    HD3  ARG  15           HD1      ARG  15   0.547  20.108 -11.541
  144    HE   ARG  15           HE       ARG  15  -0.339  20.572 -14.260
  145   HH11  ARG  15          HH11      ARG  15  -1.530  19.819 -10.990
  146   HH12  ARG  15          HH12      ARG  15  -3.075  20.568 -11.215
  147   HH21  ARG  15          HH21      ARG  15  -2.436  21.591 -14.564
  148   HH22  ARG  15          HH22      ARG  15  -3.598  21.592 -13.281
  149    H    LYS  16           HN       LYS  16   4.605  19.009 -13.463
  150    HA   LYS  16           HA       LYS  16   6.124  20.047 -15.420
  151    HB2  LYS  16           HB2      LYS  16   5.141  22.178 -16.075
  152    HB3  LYS  16           HB1      LYS  16   3.873  20.929 -16.334
  153    HG2  LYS  16           HG2      LYS  16   2.530  22.322 -15.198
  154    HG3  LYS  16           HG1      LYS  16   3.315  21.626 -13.749
  155    HD2  LYS  16           HD2      LYS  16   3.673  23.853 -13.252
  156    HD3  LYS  16           HD1      LYS  16   5.128  23.589 -14.275
  157    HE2  LYS  16           HE2      LYS  16   3.931  24.520 -16.263
  158    HE3  LYS  16           HE1      LYS  16   2.429  24.737 -15.269
  159    HZ1  LYS  16           HZ1      LYS  16   4.869  25.901 -14.196
  160    HZ2  LYS  16           HZ2      LYS  16   3.282  26.504 -14.250
  161    HZ3  LYS  16           HZ3      LYS  16   4.274  26.600 -15.624
  162    H    LYS  17           HN       LYS  17   4.260  20.302 -12.482
  163    HA   LYS  17           HA       LYS  17   5.619  22.334 -11.207
  164    HB2  LYS  17           HB2      LYS  17   4.195  19.803 -10.217
  165    HB3  LYS  17           HB1      LYS  17   4.864  21.045  -9.080
  166    HG2  LYS  17           HG2      LYS  17   3.433  22.797 -10.179
  167    HG3  LYS  17           HG1      LYS  17   2.756  21.543 -11.276
  168    HD2  LYS  17           HD2      LYS  17   1.860  20.298  -9.303
  169    HD3  LYS  17           HD1      LYS  17   2.553  21.536  -8.200
  170    HE2  LYS  17           HE2      LYS  17   1.082  23.293  -9.235
  171    HE3  LYS  17           HE1      LYS  17   0.386  22.046 -10.352
  172    HZ1  LYS  17           HZ1      LYS  17  -0.131  20.807  -8.195
  173    HZ2  LYS  17           HZ2      LYS  17  -1.082  22.150  -8.615
  174    HZ3  LYS  17           HZ3      LYS  17   0.117  22.298  -7.422
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1  -2.530   5.357   5.909
    2    H2   ALA   1           HT2      ALA   1  -3.319   5.311   4.406
    3    H3   ALA   1           HT3      ALA   1  -2.097   6.458   4.690
    4    HA   ALA   1           HA       ALA   1  -0.509   5.087   4.127
    5    HB1  ALA   1           HB1      ALA   1  -0.711   3.992   6.392
    6    HB2  ALA   1           HB2      ALA   1  -0.283   2.787   5.118
    7    HB3  ALA   1           HB3      ALA   1  -1.980   2.897   5.723
    8    H    MET   2           HN       MET   2  -2.458   5.569   2.238
    9    HA   MET   2           HA       MET   2  -2.663   2.929   0.962
   10    HB2  MET   2           HB2      MET   2  -4.649   5.271   0.748
   11    HB3  MET   2           HB1      MET   2  -4.731   3.751  -0.208
   12    HG2  MET   2           HG2      MET   2  -5.045   2.430   1.879
   13    HG3  MET   2           HG1      MET   2  -4.932   3.927   2.858
   14    HE1  MET   2           HE1      MET   2  -7.131   1.919   3.244
   15    HE2  MET   2           HE2      MET   2  -8.612   2.932   3.344
   16    HE3  MET   2           HE3      MET   2  -7.083   3.498   4.102
   17    H    ARG   3           HN       ARG   3  -1.951   2.896  -1.223
   18    HA   ARG   3           HA       ARG   3  -0.844   5.443  -2.050
   19    HB2  ARG   3           HB2      ARG   3   0.431   3.091  -2.083
   20    HB3  ARG   3           HB1      ARG   3  -0.494   2.877  -3.607
   21    HG2  ARG   3           HG2      ARG   3   0.551   5.497  -3.799
   22    HG3  ARG   3           HG1      ARG   3   1.881   4.546  -3.048
   23    HD2  ARG   3           HD2      ARG   3   0.367   3.539  -5.535
   24    HD3  ARG   3           HD1      ARG   3   1.838   4.607  -5.652
   25    HE   ARG   3           HE       ARG   3   2.496   2.458  -3.893
   26   HH11  ARG   3          HH11      ARG   3   1.521   3.008  -7.274
   27   HH12  ARG   3          HH12      ARG   3   2.376   1.642  -7.907
   28   HH21  ARG   3          HH21      ARG   3   3.662   0.599  -4.752
   29   HH22  ARG   3          HH22      ARG   3   3.614   0.248  -6.447
   30    H    ILE   4           HN       ILE   4  -3.130   6.070  -2.202
   31    HA   ILE   4           HA       ILE   4  -4.098   5.348  -4.862
   32    HB   ILE   4           HB       ILE   4  -6.292   6.147  -4.044
   33   HG12  ILE   4          HG12      ILE   4  -4.866   6.110  -1.324
   34   HG13  ILE   4          HG11      ILE   4  -5.397   7.572  -2.227
   35   HG21  ILE   4          HG21      ILE   4  -5.876   3.727  -4.172
   36   HG22  ILE   4          HG22      ILE   4  -6.691   4.028  -2.590
   37   HG23  ILE   4          HG23      ILE   4  -4.905   3.759  -2.650
   38   HD11  ILE   4          HD11      ILE   4  -7.135   5.441  -0.865
   39   HD12  ILE   4          HD12      ILE   4  -7.805   6.512  -2.154
   40   HD13  ILE   4          HD13      ILE   4  -7.141   7.231  -0.638
   41    H    SER   5           HN       SER   5  -2.897   7.664  -2.637
   42    HA   SER   5           HA       SER   5  -3.754   9.772  -4.488
   43    HB2  SER   5           HB2      SER   5  -3.191  10.009  -1.467
   44    HB3  SER   5           HB1      SER   5  -3.526  11.408  -2.565
   45    HG   SER   5           HG       SER   5  -5.423   9.679  -3.009
   46    H    ARG   6           HN       ARG   6  -1.370   8.105  -4.869
   47    HA   ARG   6           HA       ARG   6   0.389  10.316  -4.845
   48    HB2  ARG   6           HB2      ARG   6   0.752   8.442  -2.838
   49    HB3  ARG   6           HB1      ARG   6   1.832   7.826  -4.149
   50    HG2  ARG   6           HG2      ARG   6   1.759  10.683  -3.053
   51    HG3  ARG   6           HG1      ARG   6   3.021   9.454  -2.681
   52    HD2  ARG   6           HD2      ARG   6   2.404  10.253  -5.603
   53    HD3  ARG   6           HD1      ARG   6   3.530  11.250  -4.573
   54    HE   ARG   6           HE       ARG   6   4.031   8.514  -5.612
   55   HH11  ARG   6          HH11      ARG   6   4.882  11.060  -3.261
   56   HH12  ARG   6          HH12      ARG   6   6.489  10.479  -2.986
   57   HH21  ARG   6          HH21      ARG   6   6.215   7.730  -5.233
   58   HH22  ARG   6          HH22      ARG   6   7.258   8.555  -4.126
   59    H    ILE   7           HN       ILE   7  -1.180   9.364  -6.741
   60    HA   ILE   7           HA       ILE   7   0.807   8.368  -8.572
   61    HB   ILE   7           HB       ILE   7  -2.109   7.650  -8.901
   62   HG12  ILE   7          HG12      ILE   7  -1.110   5.348  -7.798
   63   HG13  ILE   7          HG11      ILE   7  -0.143   6.560  -6.886
   64   HG21  ILE   7          HG21      ILE   7  -0.459   7.364 -10.791
   65   HG22  ILE   7          HG22      ILE   7  -1.111   5.777 -10.229
   66   HG23  ILE   7          HG23      ILE   7   0.549   6.295  -9.742
   67   HD11  ILE   7          HD11      ILE   7  -2.356   7.758  -6.341
   68   HD12  ILE   7          HD12      ILE   7  -2.103   6.155  -5.560
   69   HD13  ILE   7          HD13      ILE   7  -3.204   6.301  -6.985
   70    H    ILE   8           HN       ILE   8  -2.207   9.946  -7.762
   71    HA   ILE   8           HA       ILE   8  -2.177  11.603 -10.057
   72    HB   ILE   8           HB       ILE   8  -3.438  12.310  -7.382
   73   HG12  ILE   8          HG12      ILE   8  -5.464  10.905  -8.361
   74   HG13  ILE   8          HG11      ILE   8  -4.164  10.006  -9.219
   75   HG21  ILE   8          HG21      ILE   8  -4.131  12.713 -10.371
   76   HG22  ILE   8          HG22      ILE   8  -3.712  13.968  -9.143
   77   HG23  ILE   8          HG23      ILE   8  -5.286  13.094  -9.038
   78   HD11  ILE   8          HD11      ILE   8  -3.254  10.294  -6.490
   79   HD12  ILE   8          HD12      ILE   8  -3.804   8.790  -7.324
   80   HD13  ILE   8          HD13      ILE   8  -4.991   9.791  -6.403
   81    H    LEU   9           HN       LEU   9  -1.148  11.700  -6.633
   82    HA   LEU   9           HA       LEU   9  -0.167  14.272  -7.086
   83    HB2  LEU   9           HB2      LEU   9   0.286  12.128  -5.034
   84    HB3  LEU   9           HB1      LEU   9   1.296  13.608  -5.056
   85    HG   LEU   9           HG       LEU   9  -0.620  13.811  -3.456
   86   HD11  LEU   9          HD11      LEU   9  -1.658  15.920  -5.043
   87   HD12  LEU   9          HD12      LEU   9   0.009  15.676  -5.693
   88   HD13  LEU   9          HD13      LEU   9  -0.237  16.013  -3.934
   89   HD21  LEU   9          HD21      LEU   9  -2.146  12.351  -5.054
   90   HD22  LEU   9          HD22      LEU   9  -2.517  13.922  -5.869
   91   HD23  LEU   9          HD23      LEU   9  -2.904  13.699  -4.116
   92    H    DAS  10           HN       DAS  10   0.703  11.024  -7.587
   93    HA   DAS  10           HA       DAS  10   2.503  10.115  -8.369
   94    HB2  DAS  10           HB2      DAS  10   4.046  12.703  -8.358
   95    HB3  DAS  10           HB1      DAS  10   3.694  11.871  -6.798
   96    H    PHE  11           HN       PHE  11   0.789  12.674  -9.504
   97    HA   PHE  11           HA       PHE  11   2.085  12.559 -12.150
   98    HB2  PHE  11           HB2      PHE  11  -0.035  12.093 -13.047
   99    HB3  PHE  11           HB1      PHE  11  -0.688  12.082 -11.351
  100    HD1  PHE  11           HD1      PHE  11   0.187  14.385 -14.155
  101    HD2  PHE  11           HD2      PHE  11  -1.984  13.668 -10.639
  102    HE1  PHE  11           HE1      PHE  11  -0.785  16.597 -14.290
  103    HE2  PHE  11           HE2      PHE  11  -2.871  15.807 -10.647
  104    HZ   PHE  11           HZ       PHE  11  -2.380  17.365 -12.546
  105    H    LEU  12           HN       LEU  12   0.779  14.333  -9.364
  106    HA   LEU  12           HA       LEU  12   0.507  16.822 -10.547
  107    HB2  LEU  12           HB2      LEU  12   0.758  15.620  -7.906
  108    HB3  LEU  12           HB1      LEU  12   1.373  17.304  -7.924
  109    HG   LEU  12           HG       LEU  12  -0.734  17.608  -7.298
  110   HD11  LEU  12          HD11      LEU  12  -1.404  17.504 -10.270
  111   HD12  LEU  12          HD12      LEU  12  -0.263  18.717  -9.587
  112   HD13  LEU  12          HD13      LEU  12  -1.979  18.673  -9.024
  113   HD21  LEU  12          HD21      LEU  12  -1.506  15.191  -8.949
  114   HD22  LEU  12          HD22      LEU  12  -2.726  16.237  -8.135
  115   HD23  LEU  12          HD23      LEU  12  -1.475  15.365  -7.160
  116    H    PHE  13           HN       PHE  13   3.320  15.504  -8.743
  117    HA   PHE  13           HA       PHE  13   4.630  17.995  -9.182
  118    HB2  PHE  13           HB2      PHE  13   6.178  15.554  -8.254
  119    HB3  PHE  13           HB1      PHE  13   6.288  17.273  -7.666
  120    HD1  PHE  13           HD1      PHE  13   5.225  14.149  -6.904
  121    HD2  PHE  13           HD2      PHE  13   3.987  18.184  -6.946
  122    HE1  PHE  13           HE1      PHE  13   3.429  13.620  -5.421
  123    HE2  PHE  13           HE2      PHE  13   2.203  17.663  -5.437
  124    HZ   PHE  13           HZ       PHE  13   1.913  15.389  -4.664
  125    H    LEU  14           HN       LEU  14   3.690  15.877 -11.196
  126    HA   LEU  14           HA       LEU  14   6.212  15.679 -12.611
  127    HB2  LEU  14           HB2      LEU  14   3.731  13.931 -12.788
  128    HB3  LEU  14           HB1      LEU  14   5.203  13.725 -13.817
  129    HG   LEU  14           HG       LEU  14   4.892  13.274 -10.784
  130   HD11  LEU  14          HD11      LEU  14   4.430  11.460 -12.658
  131   HD12  LEU  14          HD12      LEU  14   5.464  11.007 -11.250
  132   HD13  LEU  14          HD13      LEU  14   6.223  11.403 -12.837
  133   HD21  LEU  14          HD21      LEU  14   7.429  13.934 -12.353
  134   HD22  LEU  14          HD22      LEU  14   7.517  12.640 -11.100
  135   HD23  LEU  14          HD23      LEU  14   6.984  14.300 -10.642
  136    H    ARG  15           HN       ARG  15   3.207  17.320 -12.577
  137    HA   ARG  15           HA       ARG  15   2.722  17.111 -15.367
  138    HB2  ARG  15           HB2      ARG  15   1.107  18.911 -15.095
  139    HB3  ARG  15           HB1      ARG  15   0.851  17.571 -13.913
  140    HG2  ARG  15           HG2      ARG  15   2.477  19.176 -12.426
  141    HG3  ARG  15           HG1      ARG  15   1.723  20.416 -13.484
  142    HD2  ARG  15           HD2      ARG  15   0.112  18.307 -11.951
  143    HD3  ARG  15           HD1      ARG  15   0.447  19.978 -11.309
  144    HE   ARG  15           HE       ARG  15  -1.411  19.249 -13.504
  145   HH11  ARG  15          HH11      ARG  15   0.555  21.785 -11.947
  146   HH12  ARG  15          HH12      ARG  15  -0.371  23.103 -12.583
  147   HH21  ARG  15          HH21      ARG  15  -2.664  21.042 -14.363
  148   HH22  ARG  15          HH22      ARG  15  -2.231  22.673 -13.976
  149    H    LYS  16           HN       LYS  16   4.574  19.132 -13.227
  150    HA   LYS  16           HA       LYS  16   6.065  20.343 -15.112
  151    HB2  LYS  16           HB2      LYS  16   5.008  22.490 -15.603
  152    HB3  LYS  16           HB1      LYS  16   3.799  21.210 -15.977
  153    HG2  LYS  16           HG2      LYS  16   2.393  22.486 -14.766
  154    HG3  LYS  16           HG1      LYS  16   3.158  21.662 -13.371
  155    HD2  LYS  16           HD2      LYS  16   4.739  23.553 -13.073
  156    HD3  LYS  16           HD1      LYS  16   4.084  24.362 -14.537
  157    HE2  LYS  16           HE2      LYS  16   1.839  24.580 -13.414
  158    HE3  LYS  16           HE1      LYS  16   2.513  23.778 -11.934
  159    HZ1  LYS  16           HZ1      LYS  16   3.062  25.802 -11.328
  160    HZ2  LYS  16           HZ2      LYS  16   2.785  26.469 -12.865
  161    HZ3  LYS  16           HZ3      LYS  16   4.286  25.763 -12.504
  162    H    LYS  17           HN       LYS  17   4.193  20.350 -12.165
  163    HA   LYS  17           HA       LYS  17   5.505  22.327 -10.757
  164    HB2  LYS  17           HB2      LYS  17   4.130  19.709  -9.944
  165    HB3  LYS  17           HB1      LYS  17   4.782  20.875  -8.721
  166    HG2  LYS  17           HG2      LYS  17   3.318  22.678  -9.687
  167    HG3  LYS  17           HG1      LYS  17   2.661  21.495 -10.871
  168    HD2  LYS  17           HD2      LYS  17   1.791  20.094  -8.994
  169    HD3  LYS  17           HD1      LYS  17   2.468  21.258  -7.804
  170    HE2  LYS  17           HE2      LYS  17   0.963  23.061  -8.698
  171    HE3  LYS  17           HE1      LYS  17   0.284  21.889  -9.904
  172    HZ1  LYS  17           HZ1      LYS  17  -0.525  20.553  -8.128
  173    HZ2  LYS  17           HZ2      LYS  17  -1.052  22.150  -7.894
  174    HZ3  LYS  17           HZ3      LYS  17   0.218  21.528  -6.953
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1  -3.801   4.881   4.346
    2    H2   ALA   1           HT2      ALA   1  -2.956   4.954   5.818
    3    H3   ALA   1           HT3      ALA   1  -3.562   3.469   5.260
    4    HA   ALA   1           HA       ALA   1  -1.406   5.081   4.058
    5    HB1  ALA   1           HB1      ALA   1  -1.431   2.287   5.361
    6    HB2  ALA   1           HB2      ALA   1  -0.698   3.775   6.072
    7    HB3  ALA   1           HB3      ALA   1   0.011   3.045   4.582
    8    H    MET   2           HN       MET   2  -2.894   5.119   2.071
    9    HA   MET   2           HA       MET   2  -2.530   2.572   0.651
   10    HB2  MET   2           HB2      MET   2  -4.841   4.580   0.336
   11    HB3  MET   2           HB1      MET   2  -4.582   3.123  -0.687
   12    HG2  MET   2           HG2      MET   2  -4.879   1.649   1.298
   13    HG3  MET   2           HG1      MET   2  -5.105   3.085   2.346
   14    HE1  MET   2           HE1      MET   2  -8.608   1.515   2.411
   15    HE2  MET   2           HE2      MET   2  -7.262   2.261   3.340
   16    HE3  MET   2           HE3      MET   2  -6.985   0.742   2.419
   17    H    ARG   3           HN       ARG   3  -1.594   2.796  -1.432
   18    HA   ARG   3           HA       ARG   3  -0.863   5.540  -2.014
   19    HB2  ARG   3           HB2      ARG   3   0.774   3.406  -2.061
   20    HB3  ARG   3           HB1      ARG   3   0.067   3.221  -3.701
   21    HG2  ARG   3           HG2      ARG   3   0.653   5.936  -3.648
   22    HG3  ARG   3           HG1      ARG   3   1.984   5.257  -2.648
   23    HD2  ARG   3           HD2      ARG   3   2.609   3.693  -4.485
   24    HD3  ARG   3           HD1      ARG   3   1.215   4.299  -5.484
   25    HE   ARG   3           HE       ARG   3   2.889   6.518  -4.636
   26   HH11  ARG   3          HH11      ARG   3   2.745   3.714  -6.827
   27   HH12  ARG   3          HH12      ARG   3   3.746   4.423  -8.050
   28   HH21  ARG   3          HH21      ARG   3   4.243   7.487  -6.301
   29   HH22  ARG   3          HH22      ARG   3   4.613   6.607  -7.745
   30    H    ILE   4           HN       ILE   4  -3.188   5.824  -2.377
   31    HA   ILE   4           HA       ILE   4  -3.761   5.134  -5.160
   32    HB   ILE   4           HB       ILE   4  -6.124   5.562  -4.543
   33   HG12  ILE   4          HG12      ILE   4  -4.979   5.527  -1.693
   34   HG13  ILE   4          HG11      ILE   4  -5.628   6.963  -2.560
   35   HG21  ILE   4          HG21      ILE   4  -6.334   3.307  -3.255
   36   HG22  ILE   4          HG22      ILE   4  -4.530   3.301  -3.155
   37   HG23  ILE   4          HG23      ILE   4  -5.347   3.242  -4.765
   38   HD11  ILE   4          HD11      ILE   4  -7.153   4.526  -1.495
   39   HD12  ILE   4          HD12      ILE   4  -7.845   5.546  -2.814
   40   HD13  ILE   4          HD13      ILE   4  -7.460   6.281  -1.210
   41    H    SER   5           HN       SER   5  -3.199   7.470  -2.698
   42    HA   SER   5           HA       SER   5  -4.137   9.531  -4.559
   43    HB2  SER   5           HB2      SER   5  -4.050   9.664  -1.486
   44    HB3  SER   5           HB1      SER   5  -4.454  11.058  -2.566
   45    HG   SER   5           HG       SER   5  -5.960   9.086  -3.354
   46    H    ARG   6           HN       ARG   6  -1.493   8.278  -4.664
   47    HA   ARG   6           HA       ARG   6  -0.072  10.694  -4.112
   48    HB2  ARG   6           HB2      ARG   6   0.539   9.394  -2.158
   49    HB3  ARG   6           HB1      ARG   6   0.691   7.902  -3.143
   50    HG2  ARG   6           HG2      ARG   6   2.885   9.022  -2.393
   51    HG3  ARG   6           HG1      ARG   6   2.736   8.611  -4.134
   52    HD2  ARG   6           HD2      ARG   6   3.701  10.899  -3.903
   53    HD3  ARG   6           HD1      ARG   6   2.024  11.016  -4.606
   54    HE   ARG   6           HE       ARG   6   1.283  12.022  -2.578
   55   HH11  ARG   6          HH11      ARG   6   4.584  10.713  -2.244
   56   HH12  ARG   6          HH12      ARG   6   4.896  11.479  -0.723
   57   HH21  ARG   6          HH21      ARG   6   1.712  13.060  -0.511
   58   HH22  ARG   6          HH22      ARG   6   3.237  12.834   0.278
   59    H    ILE   7           HN       ILE   7  -1.410   9.222  -6.332
   60    HA   ILE   7           HA       ILE   7   0.978   9.057  -7.987
   61    HB   ILE   7           HB       ILE   7  -1.629   7.737  -8.700
   62   HG12  ILE   7          HG12      ILE   7  -0.292   5.643  -7.599
   63   HG13  ILE   7          HG11      ILE   7   0.395   6.961  -6.580
   64   HG21  ILE   7          HG21      ILE   7   1.367   7.323  -9.360
   65   HG22  ILE   7          HG22      ILE   7   0.050   7.846 -10.478
   66   HG23  ILE   7          HG23      ILE   7   0.082   6.155  -9.849
   67   HD11  ILE   7          HD11      ILE   7  -2.365   7.529  -6.585
   68   HD12  ILE   7          HD12      ILE   7  -1.430   6.742  -5.263
   69   HD13  ILE   7          HD13      ILE   7  -2.299   5.729  -6.482
   70    H    ILE   8           HN       ILE   8  -1.662  10.670  -6.983
   71    HA   ILE   8           HA       ILE   8  -1.998  12.004  -9.533
   72    HB   ILE   8           HB       ILE   8  -3.752  12.262  -7.073
   73   HG12  ILE   8          HG12      ILE   8  -5.232  10.602  -8.624
   74   HG13  ILE   8          HG11      ILE   8  -3.589  10.068  -9.127
   75   HG21  ILE   8          HG21      ILE   8  -4.325  14.010  -8.567
   76   HG22  ILE   8          HG22      ILE   8  -5.425  12.711  -9.166
   77   HG23  ILE   8          HG23      ILE   8  -3.881  13.055 -10.032
   78   HD11  ILE   8          HD11      ILE   8  -3.205  10.098  -6.404
   79   HD12  ILE   8          HD12      ILE   8  -3.824   8.659  -7.300
   80   HD13  ILE   8          HD13      ILE   8  -4.981   9.749  -6.450
   81    H    LEU   9           HN       LEU   9  -0.246  11.775  -7.086
   82    HA   LEU   9           HA       LEU   9   0.210  14.616  -6.847
   83    HB2  LEU   9           HB2      LEU   9   0.572  12.260  -4.969
   84    HB3  LEU   9           HB1      LEU   9   1.698  13.649  -4.864
   85    HG   LEU   9           HG       LEU   9  -0.263  13.655  -3.226
   86   HD11  LEU   9          HD11      LEU   9   0.769  15.837  -4.967
   87   HD12  LEU   9          HD12      LEU   9   0.568  15.778  -3.171
   88   HD13  LEU   9          HD13      LEU   9  -0.832  16.217  -4.222
   89   HD21  LEU   9          HD21      LEU   9  -1.913  12.841  -5.052
   90   HD22  LEU   9          HD22      LEU   9  -1.923  14.542  -5.662
   91   HD23  LEU   9          HD23      LEU   9  -2.490  14.180  -3.984
   92    H    DAS  10           HN       DAS  10   0.968  11.323  -7.284
   93    HA   DAS  10           HA       DAS  10   2.722  10.285  -8.022
   94    HB2  DAS  10           HB2      DAS  10   4.348  12.827  -8.324
   95    HB3  DAS  10           HB1      DAS  10   4.129  12.080  -6.695
   96    H    PHE  11           HN       PHE  11   1.191  12.964  -9.232
   97    HA   PHE  11           HA       PHE  11   2.221  12.490 -11.932
   98    HB2  PHE  11           HB2      PHE  11   0.052  12.020 -12.647
   99    HB3  PHE  11           HB1      PHE  11  -0.465  12.131 -10.912
  100    HD1  PHE  11           HD1      PHE  11  -0.053  14.049 -14.033
  101    HD2  PHE  11           HD2      PHE  11  -1.361  13.925 -10.052
  102    HE1  PHE  11           HE1      PHE  11  -1.060  16.236 -14.302
  103    HE2  PHE  11           HE2      PHE  11  -2.376  16.035 -10.241
  104    HZ   PHE  11           HZ       PHE  11  -2.302  17.267 -12.414
  105    H    LEU  12           HN       LEU  12   1.192  14.465  -9.236
  106    HA   LEU  12           HA       LEU  12   0.891  16.856 -10.615
  107    HB2  LEU  12           HB2      LEU  12   1.649  16.040  -7.848
  108    HB3  LEU  12           HB1      LEU  12   1.570  17.787  -8.277
  109    HG   LEU  12           HG       LEU  12  -0.586  15.736  -8.511
  110   HD11  LEU  12          HD11      LEU  12  -0.971  16.033  -6.371
  111   HD12  LEU  12          HD12      LEU  12  -1.134  17.820  -6.600
  112   HD13  LEU  12          HD13      LEU  12   0.491  17.079  -6.288
  113   HD21  LEU  12          HD21      LEU  12  -0.640  18.776  -8.913
  114   HD22  LEU  12          HD22      LEU  12  -2.075  17.684  -8.993
  115   HD23  LEU  12          HD23      LEU  12  -0.749  17.534 -10.212
  116    H    PHE  13           HN       PHE  13   3.767  15.460  -8.984
  117    HA   PHE  13           HA       PHE  13   5.087  17.928  -9.527
  118    HB2  PHE  13           HB2      PHE  13   6.653  15.479  -8.639
  119    HB3  PHE  13           HB1      PHE  13   6.812  17.204  -8.084
  120    HD1  PHE  13           HD1      PHE  13   5.997  14.190  -6.981
  121    HD2  PHE  13           HD2      PHE  13   4.331  18.045  -7.450
  122    HE1  PHE  13           HE1      PHE  13   4.290  13.668  -5.372
  123    HE2  PHE  13           HE2      PHE  13   2.635  17.521  -5.858
  124    HZ   PHE  13           HZ       PHE  13   2.611  15.352  -4.814
  125    H    LEU  14           HN       LEU  14   3.917  15.828 -11.381
  126    HA   LEU  14           HA       LEU  14   6.256  15.491 -13.048
  127    HB2  LEU  14           HB2      LEU  14   3.750  13.772 -12.898
  128    HB3  LEU  14           HB1      LEU  14   5.163  13.462 -13.980
  129    HG   LEU  14           HG       LEU  14   5.054  13.314 -10.897
  130   HD11  LEU  14          HD11      LEU  14   5.424  10.972 -11.153
  131   HD12  LEU  14          HD12      LEU  14   6.029  11.135 -12.844
  132   HD13  LEU  14          HD13      LEU  14   4.274  11.355 -12.491
  133   HD21  LEU  14          HD21      LEU  14   7.597  12.412 -11.471
  134   HD22  LEU  14          HD22      LEU  14   7.225  14.110 -10.995
  135   HD23  LEU  14          HD23      LEU  14   7.443  13.689 -12.736
  136    H    ARG  15           HN       ARG  15   3.292  17.178 -12.733
  137    HA   ARG  15           HA       ARG  15   2.559  16.846 -15.499
  138    HB2  ARG  15           HB2      ARG  15   0.873  18.649 -14.998
  139    HB3  ARG  15           HB1      ARG  15   0.679  17.080 -14.134
  140    HG2  ARG  15           HG2      ARG  15   1.000  18.016 -12.096
  141    HG3  ARG  15           HG1      ARG  15   2.376  19.020 -12.660
  142    HD2  ARG  15           HD2      ARG  15   0.864  20.728 -12.266
  143    HD3  ARG  15           HD1      ARG  15   0.327  20.290 -13.953
  144    HE   ARG  15           HE       ARG  15  -1.082  18.612 -12.103
  145   HH11  ARG  15          HH11      ARG  15  -0.757  22.026 -13.061
  146   HH12  ARG  15          HH12      ARG  15  -2.385  22.457 -12.659
  147   HH21  ARG  15          HH21      ARG  15  -3.301  19.198 -11.553
  148   HH22  ARG  15          HH22      ARG  15  -3.856  20.821 -11.787
  149    H    LYS  16           HN       LYS  16   4.334  19.040 -13.438
  150    HA   LYS  16           HA       LYS  16   5.592  20.349 -15.435
  151    HB2  LYS  16           HB2      LYS  16   4.345  22.437 -15.796
  152    HB3  LYS  16           HB1      LYS  16   3.257  21.055 -16.179
  153    HG2  LYS  16           HG2      LYS  16   1.776  22.161 -14.881
  154    HG3  LYS  16           HG1      LYS  16   2.651  21.348 -13.543
  155    HD2  LYS  16           HD2      LYS  16   2.816  23.487 -12.713
  156    HD3  LYS  16           HD1      LYS  16   4.225  23.583 -13.826
  157    HE2  LYS  16           HE2      LYS  16   2.793  24.642 -15.583
  158    HE3  LYS  16           HE1      LYS  16   1.346  24.505 -14.499
  159    HZ1  LYS  16           HZ1      LYS  16   2.854  26.641 -14.626
  160    HZ2  LYS  16           HZ2      LYS  16   3.727  25.817 -13.425
  161    HZ3  LYS  16           HZ3      LYS  16   2.079  26.155 -13.196
  162    H    LYS  17           HN       LYS  17   3.928  20.287 -12.356
  163    HA   LYS  17           HA       LYS  17   5.249  22.377 -11.102
  164    HB2  LYS  17           HB2      LYS  17   4.016  19.752 -10.116
  165    HB3  LYS  17           HB1      LYS  17   4.694  20.985  -8.979
  166    HG2  LYS  17           HG2      LYS  17   3.112  22.698  -9.915
  167    HG3  LYS  17           HG1      LYS  17   2.430  21.453 -11.019
  168    HD2  LYS  17           HD2      LYS  17   1.720  20.092  -9.047
  169    HD3  LYS  17           HD1      LYS  17   2.416  21.325  -7.940
  170    HE2  LYS  17           HE2      LYS  17   0.799  23.038  -8.820
  171    HE3  LYS  17           HE1      LYS  17   0.101  21.795  -9.942
  172    HZ1  LYS  17           HZ1      LYS  17   0.180  20.740  -7.348
  173    HZ2  LYS  17           HZ2      LYS  17  -1.163  21.121  -8.313
  174    HZ3  LYS  17           HZ3      LYS  17  -0.512  22.288  -7.265
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1  -0.862   6.508   4.151
    2    H2   ALA   1           HT2      ALA   1  -0.211   5.536   2.918
    3    H3   ALA   1           HT3      ALA   1   0.488   5.526   4.467
    4    HA   ALA   1           HA       ALA   1  -0.733   3.794   4.934
    5    HB1  ALA   1           HB1      ALA   1  -2.124   5.508   6.093
    6    HB2  ALA   1           HB2      ALA   1  -3.193   4.218   5.424
    7    HB3  ALA   1           HB3      ALA   1  -3.044   5.801   4.570
    8    H    MET   2           HN       MET   2  -2.405   5.542   2.216
    9    HA   MET   2           HA       MET   2  -2.670   2.904   0.949
   10    HB2  MET   2           HB2      MET   2  -4.655   5.255   0.863
   11    HB3  MET   2           HB1      MET   2  -4.754   3.800  -0.189
   12    HG2  MET   2           HG2      MET   2  -5.061   2.339   1.783
   13    HG3  MET   2           HG1      MET   2  -4.854   3.734   2.887
   14    HE1  MET   2           HE1      MET   2  -6.725   1.859   0.310
   15    HE2  MET   2           HE2      MET   2  -6.997   3.380  -0.607
   16    HE3  MET   2           HE3      MET   2  -8.381   2.548   0.180
   17    H    ARG   3           HN       ARG   3  -1.982   2.874  -1.243
   18    HA   ARG   3           HA       ARG   3  -0.907   5.431  -2.084
   19    HB2  ARG   3           HB2      ARG   3   0.337   3.034  -2.182
   20    HB3  ARG   3           HB1      ARG   3  -0.560   2.938  -3.735
   21    HG2  ARG   3           HG2      ARG   3   0.501   5.529  -3.797
   22    HG3  ARG   3           HG1      ARG   3   1.800   4.587  -2.985
   23    HD2  ARG   3           HD2      ARG   3   1.817   2.946  -4.884
   24    HD3  ARG   3           HD1      ARG   3   0.481   3.876  -5.690
   25    HE   ARG   3           HE       ARG   3   2.033   5.612  -6.217
   26   HH11  ARG   3          HH11      ARG   3   3.475   3.125  -4.104
   27   HH12  ARG   3          HH12      ARG   3   5.103   3.675  -4.316
   28   HH21  ARG   3          HH21      ARG   3   4.241   6.355  -6.499
   29   HH22  ARG   3          HH22      ARG   3   5.546   5.542  -5.700
   30    H    ILE   4           HN       ILE   4  -3.181   6.079  -2.207
   31    HA   ILE   4           HA       ILE   4  -4.182   5.368  -4.860
   32    HB   ILE   4           HB       ILE   4  -6.359   6.196  -4.018
   33   HG12  ILE   4          HG12      ILE   4  -4.914   6.109  -1.310
   34   HG13  ILE   4          HG11      ILE   4  -5.421   7.591  -2.196
   35   HG21  ILE   4          HG21      ILE   4  -5.032   3.793  -2.582
   36   HG22  ILE   4          HG22      ILE   4  -5.885   3.759  -4.173
   37   HG23  ILE   4          HG23      ILE   4  -6.816   4.067  -2.658
   38   HD11  ILE   4          HD11      ILE   4  -7.047   5.739  -0.508
   39   HD12  ILE   4          HD12      ILE   4  -7.817   6.134  -2.091
   40   HD13  ILE   4          HD13      ILE   4  -7.341   7.460  -0.963
   41    H    SER   5           HN       SER   5  -2.955   7.674  -2.631
   42    HA   SER   5           HA       SER   5  -3.777   9.785  -4.497
   43    HB2  SER   5           HB2      SER   5  -3.287  10.021  -1.464
   44    HB3  SER   5           HB1      SER   5  -3.585  11.421  -2.571
   45    HG   SER   5           HG       SER   5  -5.476   9.684  -3.053
   46    H    ARG   6           HN       ARG   6  -1.369   8.108  -4.827
   47    HA   ARG   6           HA       ARG   6   0.385  10.333  -4.739
   48    HB2  ARG   6           HB2      ARG   6   1.033   9.194  -2.653
   49    HB3  ARG   6           HB1      ARG   6   1.087   7.619  -3.521
   50    HG2  ARG   6           HG2      ARG   6   3.344   8.863  -3.078
   51    HG3  ARG   6           HG1      ARG   6   3.042   8.168  -4.704
   52    HD2  ARG   6           HD2      ARG   6   4.000  10.453  -4.954
   53    HD3  ARG   6           HD1      ARG   6   2.263  10.471  -5.506
   54    HE   ARG   6           HE       ARG   6   1.709  11.788  -3.595
   55   HH11  ARG   6          HH11      ARG   6   5.056  10.567  -3.413
   56   HH12  ARG   6          HH12      ARG   6   5.513  11.581  -2.086
   57   HH21  ARG   6          HH21      ARG   6   2.336  13.161  -1.792
   58   HH22  ARG   6          HH22      ARG   6   3.942  13.078  -1.151
   59    H    ILE   7           HN       ILE   7  -1.155   9.431  -6.685
   60    HA   ILE   7           HA       ILE   7   0.835   8.392  -8.490
   61    HB   ILE   7           HB       ILE   7  -2.072   7.651  -8.858
   62   HG12  ILE   7          HG12      ILE   7  -1.097   5.360  -7.728
   63   HG13  ILE   7          HG11      ILE   7  -0.130   6.567  -6.810
   64   HG21  ILE   7          HG21      ILE   7  -0.374   7.368 -10.709
   65   HG22  ILE   7          HG22      ILE   7  -1.043   5.784 -10.161
   66   HG23  ILE   7          HG23      ILE   7   0.606   6.298  -9.636
   67   HD11  ILE   7          HD11      ILE   7  -3.189   6.320  -6.934
   68   HD12  ILE   7          HD12      ILE   7  -2.346   7.785  -6.300
   69   HD13  ILE   7          HD13      ILE   7  -2.102   6.190  -5.500
   70    H    ILE   8           HN       ILE   8  -2.212   9.944  -7.746
   71    HA   ILE   8           HA       ILE   8  -2.162  11.579 -10.056
   72    HB   ILE   8           HB       ILE   8  -3.431  12.323  -7.394
   73   HG12  ILE   8          HG12      ILE   8  -5.456  10.907  -8.363
   74   HG13  ILE   8          HG11      ILE   8  -4.152   9.994  -9.202
   75   HG21  ILE   8          HG21      ILE   8  -3.699  13.958  -9.178
   76   HG22  ILE   8          HG22      ILE   8  -5.274  13.086  -9.067
   77   HG23  ILE   8          HG23      ILE   8  -4.114  12.688 -10.390
   78   HD11  ILE   8          HD11      ILE   8  -3.810   8.803  -7.286
   79   HD12  ILE   8          HD12      ILE   8  -4.991   9.827  -6.382
   80   HD13  ILE   8          HD13      ILE   8  -3.249  10.316  -6.476
   81    H    LEU   9           HN       LEU   9  -1.135  11.704  -6.637
   82    HA   LEU   9           HA       LEU   9  -0.155  14.272  -7.105
   83    HB2  LEU   9           HB2      LEU   9   0.295  12.141  -5.039
   84    HB3  LEU   9           HB1      LEU   9   1.305  13.622  -5.068
   85    HG   LEU   9           HG       LEU   9  -0.613  13.835  -3.472
   86   HD11  LEU   9          HD11      LEU   9  -1.661  15.924  -5.080
   87   HD12  LEU   9          HD12      LEU   9   0.010  15.684  -5.722
   88   HD13  LEU   9          HD13      LEU   9  -0.244  16.036  -3.966
   89   HD21  LEU   9          HD21      LEU   9  -2.133  12.355  -5.057
   90   HD22  LEU   9          HD22      LEU   9  -2.514  13.919  -5.881
   91   HD23  LEU   9          HD23      LEU   9  -2.896  13.704  -4.125
   92    H    DAS  10           HN       DAS  10   0.728  11.016  -7.594
   93    HA   DAS  10           HA       DAS  10   2.532  10.119  -8.364
   94    HB2  DAS  10           HB2      DAS  10   4.073  12.706  -8.360
   95    HB3  DAS  10           HB1      DAS  10   3.697  11.901  -6.792
   96    H    PHE  11           HN       PHE  11   0.807  12.664  -9.511
   97    HA   PHE  11           HA       PHE  11   2.112  12.545 -12.152
   98    HB2  PHE  11           HB2      PHE  11  -0.003  12.067 -13.053
   99    HB3  PHE  11           HB1      PHE  11  -0.662  12.061 -11.360
  100    HD1  PHE  11           HD1      PHE  11   0.219  14.358 -14.169
  101    HD2  PHE  11           HD2      PHE  11  -1.967  13.643 -10.662
  102    HE1  PHE  11           HE1      PHE  11  -0.756  16.568 -14.313
  103    HE2  PHE  11           HE2      PHE  11  -2.860  15.781 -10.679
  104    HZ   PHE  11           HZ       PHE  11  -2.363  17.336 -12.579
  105    H    LEU  12           HN       LEU  12   0.791  14.323  -9.379
  106    HA   LEU  12           HA       LEU  12   0.506  16.804 -10.569
  107    HB2  LEU  12           HB2      LEU  12   0.761  15.615  -7.924
  108    HB3  LEU  12           HB1      LEU  12   1.371  17.302  -7.947
  109    HG   LEU  12           HG       LEU  12  -0.739  17.598  -7.325
  110   HD11  LEU  12          HD11      LEU  12  -1.941  18.696  -9.034
  111   HD12  LEU  12          HD12      LEU  12  -1.448  17.488 -10.280
  112   HD13  LEU  12          HD13      LEU  12  -0.244  18.669  -9.650
  113   HD21  LEU  12          HD21      LEU  12  -1.503  15.180  -8.979
  114   HD22  LEU  12          HD22      LEU  12  -2.725  16.222  -8.163
  115   HD23  LEU  12          HD23      LEU  12  -1.473  15.350  -7.189
  116    H    PHE  13           HN       PHE  13   3.327  15.516  -8.753
  117    HA   PHE  13           HA       PHE  13   4.616  18.018  -9.208
  118    HB2  PHE  13           HB2      PHE  13   6.185  15.598  -8.260
  119    HB3  PHE  13           HB1      PHE  13   6.274  17.323  -7.682
  120    HD1  PHE  13           HD1      PHE  13   5.235  14.187  -6.915
  121    HD2  PHE  13           HD2      PHE  13   3.970  18.213  -6.965
  122    HE1  PHE  13           HE1      PHE  13   3.440  13.647  -5.432
  123    HE2  PHE  13           HE2      PHE  13   2.187  17.684  -5.458
  124    HZ   PHE  13           HZ       PHE  13   1.912  15.408  -4.682
  125    H    LEU  14           HN       LEU  14   3.703  15.865 -11.206
  126    HA   LEU  14           HA       LEU  14   6.231  15.674 -12.608
  127    HB2  LEU  14           HB2      LEU  14   3.751  13.925 -12.796
  128    HB3  LEU  14           HB1      LEU  14   5.226  13.718 -13.819
  129    HG   LEU  14           HG       LEU  14   4.903  13.268 -10.788
  130   HD11  LEU  14          HD11      LEU  14   4.459  11.450 -12.660
  131   HD12  LEU  14          HD12      LEU  14   5.496  11.004 -11.251
  132   HD13  LEU  14          HD13      LEU  14   6.253  11.406 -12.838
  133   HD21  LEU  14          HD21      LEU  14   6.987  14.317 -10.644
  134   HD22  LEU  14          HD22      LEU  14   7.452  13.924 -12.343
  135   HD23  LEU  14          HD23      LEU  14   7.527  12.651 -11.068
  136    H    ARG  15           HN       ARG  15   3.202  17.290 -12.602
  137    HA   ARG  15           HA       ARG  15   2.753  17.094 -15.392
  138    HB2  ARG  15           HB2      ARG  15   1.144  18.897 -15.148
  139    HB3  ARG  15           HB1      ARG  15   0.872  17.572 -13.952
  140    HG2  ARG  15           HG2      ARG  15   2.424  19.134 -12.413
  141    HG3  ARG  15           HG1      ARG  15   1.853  20.404 -13.545
  142    HD2  ARG  15           HD2      ARG  15  -0.108  18.464 -12.232
  143    HD3  ARG  15           HD1      ARG  15   0.417  20.001 -11.405
  144    HE   ARG  15           HE       ARG  15  -0.389  20.578 -14.129
  145   HH11  ARG  15          HH11      ARG  15  -1.669  19.617 -10.947
  146   HH12  ARG  15          HH12      ARG  15  -3.227  20.334 -11.188
  147   HH21  ARG  15          HH21      ARG  15  -2.503  21.552 -14.453
  148   HH22  ARG  15          HH22      ARG  15  -3.709  21.452 -13.215
  149    H    LYS  16           HN       LYS  16   4.583  19.123 -13.231
  150    HA   LYS  16           HA       LYS  16   6.117  20.317 -15.088
  151    HB2  LYS  16           HB2      LYS  16   5.074  22.442 -15.659
  152    HB3  LYS  16           HB1      LYS  16   3.856  21.167 -16.012
  153    HG2  LYS  16           HG2      LYS  16   2.447  22.473 -14.850
  154    HG3  LYS  16           HG1      LYS  16   3.200  21.703 -13.421
  155    HD2  LYS  16           HD2      LYS  16   4.793  23.602 -13.195
  156    HD3  LYS  16           HD1      LYS  16   4.129  24.359 -14.682
  157    HE2  LYS  16           HE2      LYS  16   1.887  24.606 -13.554
  158    HE3  LYS  16           HE1      LYS  16   2.577  23.865 -12.050
  159    HZ1  LYS  16           HZ1      LYS  16   2.852  26.518 -13.109
  160    HZ2  LYS  16           HZ2      LYS  16   4.342  25.823 -12.682
  161    HZ3  LYS  16           HZ3      LYS  16   3.092  25.927 -11.536
  162    H    LYS  17           HN       LYS  17   4.184  20.346 -12.190
  163    HA   LYS  17           HA       LYS  17   5.371  22.383 -10.786
  164    HB2  LYS  17           HB2      LYS  17   4.024  19.748 -10.051
  165    HB3  LYS  17           HB1      LYS  17   4.735  20.800  -8.760
  166    HG2  LYS  17           HG2      LYS  17   3.309  22.683  -9.406
  167    HG3  LYS  17           HG1      LYS  17   2.723  21.802 -10.862
  168    HD2  LYS  17           HD2      LYS  17   0.984  21.661  -9.198
  169    HD3  LYS  17           HD1      LYS  17   1.745  20.039  -9.310
  170    HE2  LYS  17           HE2      LYS  17   1.375  20.564  -6.933
  171    HE3  LYS  17           HE1      LYS  17   3.158  20.643  -7.247
  172    HZ1  LYS  17           HZ1      LYS  17   3.148  22.722  -6.615
  173    HZ2  LYS  17           HZ2      LYS  17   1.504  22.603  -6.208
  174    HZ3  LYS  17           HZ3      LYS  17   1.960  23.151  -7.749
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1  -1.052   6.118   4.056
    2    H2   ALA   1           HT2      ALA   1  -0.316   5.231   2.808
    3    H3   ALA   1           HT3      ALA   1   0.324   5.177   4.381
    4    HA   ALA   1           HA       ALA   1  -0.851   3.393   4.747
    5    HB1  ALA   1           HB1      ALA   1  -3.356   3.687   5.089
    6    HB2  ALA   1           HB2      ALA   1  -3.228   5.303   4.296
    7    HB3  ALA   1           HB3      ALA   1  -2.393   4.999   5.865
    8    H    MET   2           HN       MET   2  -2.464   5.135   1.989
    9    HA   MET   2           HA       MET   2  -2.480   2.536   0.622
   10    HB2  MET   2           HB2      MET   2  -4.644   4.724   0.552
   11    HB3  MET   2           HB1      MET   2  -4.577   3.333  -0.585
   12    HG2  MET   2           HG2      MET   2  -4.693   1.773   1.433
   13    HG3  MET   2           HG1      MET   2  -4.971   3.213   2.461
   14    HE1  MET   2           HE1      MET   2  -8.342   4.576   1.744
   15    HE2  MET   2           HE2      MET   2  -6.892   5.161   0.859
   16    HE3  MET   2           HE3      MET   2  -6.749   4.644   2.574
   17    H    ARG   3           HN       ARG   3  -1.715   2.637  -1.535
   18    HA   ARG   3           HA       ARG   3  -0.819   5.304  -2.265
   19    HB2  ARG   3           HB2      ARG   3   0.839   3.330  -2.257
   20    HB3  ARG   3           HB1      ARG   3  -0.119   2.669  -3.625
   21    HG2  ARG   3           HG2      ARG   3   1.549   3.822  -4.772
   22    HG3  ARG   3           HG1      ARG   3   0.242   5.057  -4.690
   23    HD2  ARG   3           HD2      ARG   3   1.348   6.235  -2.849
   24    HD3  ARG   3           HD1      ARG   3   2.580   4.905  -2.669
   25    HE   ARG   3           HE       ARG   3   2.553   5.982  -5.386
   26   HH11  ARG   3          HH11      ARG   3   3.617   6.540  -2.033
   27   HH12  ARG   3          HH12      ARG   3   4.960   7.544  -2.463
   28   HH21  ARG   3          HH21      ARG   3   4.375   7.351  -5.973
   29   HH22  ARG   3          HH22      ARG   3   5.397   8.015  -4.743
   30    H    ILE   4           HN       ILE   4  -3.144   5.697  -2.577
   31    HA   ILE   4           HA       ILE   4  -3.773   4.982  -5.341
   32    HB   ILE   4           HB       ILE   4  -6.141   5.267  -4.670
   33   HG12  ILE   4          HG12      ILE   4  -4.950   5.146  -1.844
   34   HG13  ILE   4          HG11      ILE   4  -5.645   6.604  -2.633
   35   HG21  ILE   4          HG21      ILE   4  -4.448   3.029  -3.363
   36   HG22  ILE   4          HG22      ILE   4  -5.204   3.001  -5.003
   37   HG23  ILE   4          HG23      ILE   4  -6.245   2.951  -3.530
   38   HD11  ILE   4          HD11      ILE   4  -7.079   4.115  -1.596
   39   HD12  ILE   4          HD12      ILE   4  -7.812   5.062  -2.946
   40   HD13  ILE   4          HD13      ILE   4  -7.479   5.859  -1.362
   41    H    SER   5           HN       SER   5  -3.152   7.282  -2.907
   42    HA   SER   5           HA       SER   5  -4.308   9.319  -4.660
   43    HB2  SER   5           HB2      SER   5  -4.402   9.324  -1.586
   44    HB3  SER   5           HB1      SER   5  -4.850  10.736  -2.626
   45    HG   SER   5           HG       SER   5  -6.133   8.665  -3.583
   46    H    ARG   6           HN       ARG   6  -1.521   8.301  -4.584
   47    HA   ARG   6           HA       ARG   6  -0.419  10.869  -3.995
   48    HB2  ARG   6           HB2      ARG   6   0.155   9.649  -1.958
   49    HB3  ARG   6           HB1      ARG   6   0.618   8.202  -2.917
   50    HG2  ARG   6           HG2      ARG   6   2.534   9.668  -1.979
   51    HG3  ARG   6           HG1      ARG   6   2.613   9.196  -3.710
   52    HD2  ARG   6           HD2      ARG   6   3.196  11.615  -3.464
   53    HD3  ARG   6           HD1      ARG   6   1.611  11.445  -4.347
   54    HE   ARG   6           HE       ARG   6   0.498  12.368  -2.454
   55   HH11  ARG   6          HH11      ARG   6   3.909  11.629  -1.719
   56   HH12  ARG   6          HH12      ARG   6   3.922  12.468  -0.204
   57   HH21  ARG   6          HH21      ARG   6   0.520  13.502  -0.396
   58   HH22  ARG   6          HH22      ARG   6   1.962  13.549   0.560
   59    H    ILE   7           HN       ILE   7  -1.424   9.222  -6.236
   60    HA   ILE   7           HA       ILE   7   1.067   9.252  -7.738
   61    HB   ILE   7           HB       ILE   7  -1.357   7.673  -8.559
   62   HG12  ILE   7          HG12      ILE   7   0.092   5.743  -7.302
   63   HG13  ILE   7          HG11      ILE   7   0.579   7.149  -6.287
   64   HG21  ILE   7          HG21      ILE   7   1.701   7.518  -9.017
   65   HG22  ILE   7          HG22      ILE   7   0.417   7.881 -10.232
   66   HG23  ILE   7          HG23      ILE   7   0.563   6.220  -9.542
   67   HD11  ILE   7          HD11      ILE   7  -2.193   7.483  -6.441
   68   HD12  ILE   7          HD12      ILE   7  -1.294   6.719  -5.078
   69   HD13  ILE   7          HD13      ILE   7  -2.020   5.689  -6.374
   70    H    ILE   8           HN       ILE   8  -1.729  10.647  -6.911
   71    HA   ILE   8           HA       ILE   8  -2.032  11.930  -9.497
   72    HB   ILE   8           HB       ILE   8  -4.087  11.895  -7.278
   73   HG12  ILE   8          HG12      ILE   8  -5.092  10.007  -8.963
   74   HG13  ILE   8          HG11      ILE   8  -3.332   9.712  -9.200
   75   HG21  ILE   8          HG21      ILE   8  -5.602  12.166  -9.426
   76   HG22  ILE   8          HG22      ILE   8  -4.061  12.459 -10.316
   77   HG23  ILE   8          HG23      ILE   8  -4.551  13.562  -8.974
   78   HD11  ILE   8          HD11      ILE   8  -5.007   9.406  -6.650
   79   HD12  ILE   8          HD12      ILE   8  -3.239   9.762  -6.519
   80   HD13  ILE   8          HD13      ILE   8  -3.804   8.277  -7.378
   81    H    LEU   9           HN       LEU   9  -0.178  12.059  -7.624
   82    HA   LEU   9           HA       LEU   9  -0.146  14.791  -6.991
   83    HB2  LEU   9           HB2      LEU   9  -0.017  12.557  -4.980
   84    HB3  LEU   9           HB1      LEU   9   1.207  13.860  -4.858
   85    HG   LEU   9           HG       LEU   9  -0.528  14.448  -3.343
   86   HD11  LEU   9          HD11      LEU   9  -0.409  16.614  -3.995
   87   HD12  LEU   9          HD12      LEU   9  -1.693  16.332  -5.230
   88   HD13  LEU   9          HD13      LEU   9   0.045  16.100  -5.667
   89   HD21  LEU   9          HD21      LEU   9  -2.194  12.922  -5.009
   90   HD22  LEU   9          HD22      LEU   9  -2.835  14.601  -5.217
   91   HD23  LEU   9          HD23      LEU   9  -2.718  13.878  -3.566
   92    H    DAS  10           HN       DAS  10   0.832  11.504  -7.101
   93    HA   DAS  10           HA       DAS  10   2.664  10.553  -7.736
   94    HB2  DAS  10           HB2      DAS  10   4.165  13.172  -7.979
   95    HB3  DAS  10           HB1      DAS  10   3.897  12.414  -6.363
   96    H    PHE  11           HN       PHE  11   1.051  13.061  -9.134
   97    HA   PHE  11           HA       PHE  11   2.264  12.592 -11.753
   98    HB2  PHE  11           HB2      PHE  11   0.153  11.987 -12.550
   99    HB3  PHE  11           HB1      PHE  11  -0.461  12.119 -10.847
  100    HD1  PHE  11           HD1      PHE  11   0.092  13.971 -13.978
  101    HD2  PHE  11           HD2      PHE  11  -1.551  13.892 -10.099
  102    HE1  PHE  11           HE1      PHE  11  -0.956  16.106 -14.392
  103    HE2  PHE  11           HE2      PHE  11  -2.613  15.974 -10.462
  104    HZ   PHE  11           HZ       PHE  11  -2.387  17.147 -12.648
  105    H    LEU  12           HN       LEU  12   0.944  14.632  -9.159
  106    HA   LEU  12           HA       LEU  12   0.581  16.973 -10.612
  107    HB2  LEU  12           HB2      LEU  12   0.957  16.128  -7.825
  108    HB3  LEU  12           HB1      LEU  12   1.449  17.829  -8.113
  109    HG   LEU  12           HG       LEU  12  -0.680  17.964  -7.385
  110   HD11  LEU  12          HD11      LEU  12  -1.302  17.761 -10.372
  111   HD12  LEU  12          HD12      LEU  12  -0.277  19.074  -9.687
  112   HD13  LEU  12          HD13      LEU  12  -1.993  18.897  -9.154
  113   HD21  LEU  12          HD21      LEU  12  -1.568  15.915  -7.106
  114   HD22  LEU  12          HD22      LEU  12  -1.017  15.329  -8.714
  115   HD23  LEU  12          HD23      LEU  12  -2.504  16.359  -8.582
  116    H    PHE  13           HN       PHE  13   3.404  15.863  -8.716
  117    HA   PHE  13           HA       PHE  13   4.694  18.307  -9.350
  118    HB2  PHE  13           HB2      PHE  13   6.281  15.959  -8.264
  119    HB3  PHE  13           HB1      PHE  13   6.338  17.709  -7.771
  120    HD1  PHE  13           HD1      PHE  13   5.451  14.634  -6.741
  121    HD2  PHE  13           HD2      PHE  13   3.917  18.543  -7.181
  122    HE1  PHE  13           HE1      PHE  13   3.669  14.116  -5.221
  123    HE2  PHE  13           HE2      PHE  13   2.150  18.036  -5.653
  124    HZ   PHE  13           HZ       PHE  13   2.004  15.823  -4.681
  125    H    LEU  14           HN       LEU  14   3.759  15.940 -11.155
  126    HA   LEU  14           HA       LEU  14   6.252  15.663 -12.607
  127    HB2  LEU  14           HB2      LEU  14   3.802  13.864 -12.539
  128    HB3  LEU  14           HB1      LEU  14   5.252  13.576 -13.577
  129    HG   LEU  14           HG       LEU  14   5.034  13.450 -10.507
  130   HD11  LEU  14          HD11      LEU  14   5.594  11.153 -10.730
  131   HD12  LEU  14          HD12      LEU  14   6.318  11.367 -12.369
  132   HD13  LEU  14          HD13      LEU  14   4.528  11.440 -12.158
  133   HD21  LEU  14          HD21      LEU  14   7.113  14.539 -10.598
  134   HD22  LEU  14          HD22      LEU  14   7.527  13.891 -12.230
  135   HD23  LEU  14          HD23      LEU  14   7.638  12.824 -10.780
  136    H    ARG  15           HN       ARG  15   3.137  17.167 -12.710
  137    HA   ARG  15           HA       ARG  15   2.636  16.629 -15.441
  138    HB2  ARG  15           HB2      ARG  15   0.985  18.434 -15.354
  139    HB3  ARG  15           HB1      ARG  15   0.770  17.223 -14.033
  140    HG2  ARG  15           HG2      ARG  15   2.413  19.022 -12.775
  141    HG3  ARG  15           HG1      ARG  15   1.558  20.120 -13.908
  142    HD2  ARG  15           HD2      ARG  15   0.066  18.098 -12.167
  143    HD3  ARG  15           HD1      ARG  15   0.460  19.776 -11.586
  144    HE   ARG  15           HE       ARG  15  -1.504  19.024 -13.700
  145   HH11  ARG  15          HH11      ARG  15   0.473  21.558 -12.153
  146   HH12  ARG  15          HH12      ARG  15  -0.508  22.872 -12.708
  147   HH21  ARG  15          HH21      ARG  15  -2.832  20.812 -14.449
  148   HH22  ARG  15          HH22      ARG  15  -2.419  22.441 -14.033
  149    H    LYS  16           HN       LYS  16   4.057  19.248 -13.553
  150    HA   LYS  16           HA       LYS  16   5.796  20.021 -15.565
  151    HB2  LYS  16           HB2      LYS  16   4.713  22.037 -16.393
  152    HB3  LYS  16           HB1      LYS  16   3.615  20.629 -16.657
  153    HG2  LYS  16           HG2      LYS  16   1.989  21.528 -15.434
  154    HG3  LYS  16           HG1      LYS  16   3.083  21.780 -14.031
  155    HD2  LYS  16           HD2      LYS  16   3.884  23.902 -14.967
  156    HD3  LYS  16           HD1      LYS  16   2.935  23.646 -16.470
  157    HE2  LYS  16           HE2      LYS  16   1.577  23.793 -13.704
  158    HE3  LYS  16           HE1      LYS  16   1.913  25.271 -14.699
  159    HZ1  LYS  16           HZ1      LYS  16   0.730  24.026 -16.533
  160    HZ2  LYS  16           HZ2      LYS  16  -0.215  24.603 -15.246
  161    HZ3  LYS  16           HZ3      LYS  16   0.183  22.954 -15.336
  162    H    LYS  17           HN       LYS  17   5.599  19.376 -12.795
  163    HA   LYS  17           HA       LYS  17   6.329  21.950 -11.636
  164    HB2  LYS  17           HB2      LYS  17   4.361  19.854 -10.584
  165    HB3  LYS  17           HB1      LYS  17   5.282  20.899  -9.430
  166    HG2  LYS  17           HG2      LYS  17   4.370  22.944 -10.572
  167    HG3  LYS  17           HG1      LYS  17   3.438  21.892 -11.693
  168    HD2  LYS  17           HD2      LYS  17   2.188  20.926  -9.765
  169    HD3  LYS  17           HD1      LYS  17   3.143  21.938  -8.628
  170    HE2  LYS  17           HE2      LYS  17   2.208  24.019  -9.679
  171    HE3  LYS  17           HE1      LYS  17   1.255  23.002 -10.837
  172    HZ1  LYS  17           HZ1      LYS  17   1.039  22.805  -7.880
  173    HZ2  LYS  17           HZ2      LYS  17   0.035  22.097  -9.051
  174    HZ3  LYS  17           HZ3      LYS  17   0.044  23.782  -8.848
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1  -1.946   6.262   4.845
    2    H2   ALA   1           HT2      ALA   1  -2.448   5.141   6.020
    3    H3   ALA   1           HT3      ALA   1  -3.259   5.230   4.530
    4    HA   ALA   1           HA       ALA   1  -0.481   4.799   4.187
    5    HB1  ALA   1           HB1      ALA   1  -0.421   2.443   5.070
    6    HB2  ALA   1           HB2      ALA   1  -2.093   2.660   5.715
    7    HB3  ALA   1           HB3      ALA   1  -0.729   3.620   6.403
    8    H    MET   2           HN       MET   2  -2.392   5.517   2.349
    9    HA   MET   2           HA       MET   2  -2.835   2.962   0.967
   10    HB2  MET   2           HB2      MET   2  -4.649   5.447   1.001
   11    HB3  MET   2           HB1      MET   2  -4.833   4.082  -0.155
   12    HG2  MET   2           HG2      MET   2  -5.105   2.521   1.851
   13    HG3  MET   2           HG1      MET   2  -5.129   3.970   2.905
   14    HE1  MET   2           HE1      MET   2  -6.731   6.201   1.452
   15    HE2  MET   2           HE2      MET   2  -6.737   5.620   3.153
   16    HE3  MET   2           HE3      MET   2  -8.289   5.846   2.276
   17    H    ARG   3           HN       ARG   3  -2.123   2.964  -1.207
   18    HA   ARG   3           HA       ARG   3  -0.931   5.495  -1.984
   19    HB2  ARG   3           HB2      ARG   3   0.307   3.118  -2.013
   20    HB3  ARG   3           HB1      ARG   3  -0.592   2.937  -3.557
   21    HG2  ARG   3           HG2      ARG   3   0.491   5.536  -3.712
   22    HG3  ARG   3           HG1      ARG   3   1.792   4.575  -2.923
   23    HD2  ARG   3           HD2      ARG   3   0.343   3.572  -5.447
   24    HD3  ARG   3           HD1      ARG   3   1.813   4.645  -5.532
   25    HE   ARG   3           HE       ARG   3   2.420   2.489  -3.753
   26   HH11  ARG   3          HH11      ARG   3   1.585   3.075  -7.164
   27   HH12  ARG   3          HH12      ARG   3   2.476   1.723  -7.777
   28   HH21  ARG   3          HH21      ARG   3   3.635   0.648  -4.584
   29   HH22  ARG   3          HH22      ARG   3   3.662   0.319  -6.283
   30    H    ILE   4           HN       ILE   4  -3.205   6.157  -2.164
   31    HA   ILE   4           HA       ILE   4  -4.152   5.442  -4.836
   32    HB   ILE   4           HB       ILE   4  -6.342   6.275  -4.049
   33   HG12  ILE   4          HG12      ILE   4  -4.958   6.236  -1.307
   34   HG13  ILE   4          HG11      ILE   4  -5.442   7.703  -2.231
   35   HG21  ILE   4          HG21      ILE   4  -5.954   3.848  -4.149
   36   HG22  ILE   4          HG22      ILE   4  -6.792   4.175  -2.585
   37   HG23  ILE   4          HG23      ILE   4  -5.009   3.882  -2.611
   38   HD11  ILE   4          HD11      ILE   4  -7.263   5.607  -0.914
   39   HD12  ILE   4          HD12      ILE   4  -7.873   6.728  -2.190
   40   HD13  ILE   4          HD13      ILE   4  -7.210   7.391  -0.648
   41    H    SER   5           HN       SER   5  -2.936   7.746  -2.613
   42    HA   SER   5           HA       SER   5  -3.754   9.863  -4.469
   43    HB2  SER   5           HB2      SER   5  -3.530  11.488  -2.535
   44    HB3  SER   5           HB1      SER   5  -4.831  10.262  -2.261
   45    HG   SER   5           HG       SER   5  -2.230  10.416  -1.170
   46    H    ARG   6           HN       ARG   6  -1.336   8.133  -4.769
   47    HA   ARG   6           HA       ARG   6   0.421  10.365  -4.750
   48    HB2  ARG   6           HB2      ARG   6   1.090   9.255  -2.658
   49    HB3  ARG   6           HB1      ARG   6   1.120   7.666  -3.498
   50    HG2  ARG   6           HG2      ARG   6   3.393   8.887  -3.106
   51    HG3  ARG   6           HG1      ARG   6   3.064   8.184  -4.721
   52    HD2  ARG   6           HD2      ARG   6   4.039  10.452  -5.006
   53    HD3  ARG   6           HD1      ARG   6   2.294  10.490  -5.528
   54    HE   ARG   6           HE       ARG   6   1.793  11.831  -3.620
   55   HH11  ARG   6          HH11      ARG   6   5.119  10.549  -3.475
   56   HH12  ARG   6          HH12      ARG   6   5.614  11.564  -2.162
   57   HH21  ARG   6          HH21      ARG   6   2.471  13.206  -1.836
   58   HH22  ARG   6          HH22      ARG   6   4.084  13.098  -1.216
   59    H    ILE   7           HN       ILE   7  -1.116   9.494  -6.682
   60    HA   ILE   7           HA       ILE   7   0.842   8.395  -8.483
   61    HB   ILE   7           HB       ILE   7  -2.077   7.693  -8.827
   62   HG12  ILE   7          HG12      ILE   7  -1.121   5.393  -7.704
   63   HG13  ILE   7          HG11      ILE   7  -0.128   6.588  -6.799
   64   HG21  ILE   7          HG21      ILE   7   0.585   6.328  -9.639
   65   HG22  ILE   7          HG22      ILE   7  -0.426   7.379 -10.703
   66   HG23  ILE   7          HG23      ILE   7  -1.070   5.796 -10.122
   67   HD11  ILE   7          HD11      ILE   7  -2.077   6.263  -5.457
   68   HD12  ILE   7          HD12      ILE   7  -3.187   6.359  -6.878
   69   HD13  ILE   7          HD13      ILE   7  -2.337   7.840  -6.290
   70    H    ILE   8           HN       ILE   8  -2.178   9.999  -7.741
   71    HA   ILE   8           HA       ILE   8  -2.127  11.606 -10.067
   72    HB   ILE   8           HB       ILE   8  -3.350  12.384  -7.390
   73   HG12  ILE   8          HG12      ILE   8  -5.412  11.013  -8.351
   74   HG13  ILE   8          HG11      ILE   8  -4.131  10.078  -9.198
   75   HG21  ILE   8          HG21      ILE   8  -4.058  12.775 -10.377
   76   HG22  ILE   8          HG22      ILE   8  -3.599  14.032  -9.166
   77   HG23  ILE   8          HG23      ILE   8  -5.192  13.194  -9.038
   78   HD11  ILE   8          HD11      ILE   8  -3.784   8.880  -7.289
   79   HD12  ILE   8          HD12      ILE   8  -4.962   9.906  -6.384
   80   HD13  ILE   8          HD13      ILE   8  -3.218  10.386  -6.469
   81    H    LEU   9           HN       LEU   9  -1.042  11.746  -6.670
   82    HA   LEU   9           HA       LEU   9  -0.035  14.297  -7.169
   83    HB2  LEU   9           HB2      LEU   9   0.416  12.171  -5.099
   84    HB3  LEU   9           HB1      LEU   9   1.449  13.636  -5.153
   85    HG   LEU   9           HG       LEU   9  -0.450  13.877  -3.530
   86   HD11  LEU   9          HD11      LEU   9   0.188  15.720  -5.788
   87   HD12  LEU   9          HD12      LEU   9  -0.004  16.066  -4.023
   88   HD13  LEU   9          HD13      LEU   9  -1.455  16.007  -5.094
   89   HD21  LEU   9          HD21      LEU   9  -2.359  14.017  -5.931
   90   HD22  LEU   9          HD22      LEU   9  -2.742  13.820  -4.175
   91   HD23  LEU   9          HD23      LEU   9  -2.022  12.447  -5.103
   92    H    DAS  10           HN       DAS  10   0.794  11.026  -7.646
   93    HA   DAS  10           HA       DAS  10   2.565  10.094  -8.446
   94    HB2  DAS  10           HB2      DAS  10   4.129  12.670  -8.447
   95    HB3  DAS  10           HB1      DAS  10   3.811  11.809  -6.894
   96    H    PHE  11           HN       PHE  11   0.858  12.647  -9.587
   97    HA   PHE  11           HA       PHE  11   2.122  12.486 -12.245
   98    HB2  PHE  11           HB2      PHE  11  -0.013  12.047 -13.112
   99    HB3  PHE  11           HB1      PHE  11  -0.640  12.051 -11.405
  100    HD1  PHE  11           HD1      PHE  11   0.220  14.341 -14.229
  101    HD2  PHE  11           HD2      PHE  11  -1.921  13.641 -10.692
  102    HE1  PHE  11           HE1      PHE  11  -0.744  16.559 -14.360
  103    HE2  PHE  11           HE2      PHE  11  -2.797  15.786 -10.696
  104    HZ   PHE  11           HZ       PHE  11  -2.320  17.333 -12.602
  105    H    LEU  12           HN       LEU  12   0.887  14.315  -9.466
  106    HA   LEU  12           HA       LEU  12   0.651  16.795 -10.681
  107    HB2  LEU  12           HB2      LEU  12   0.891  15.618  -8.030
  108    HB3  LEU  12           HB1      LEU  12   1.547  17.288  -8.069
  109    HG   LEU  12           HG       LEU  12  -0.542  17.672  -7.454
  110   HD11  LEU  12          HD11      LEU  12  -0.064  18.615  -9.863
  111   HD12  LEU  12          HD12      LEU  12  -1.727  18.760  -9.172
  112   HD13  LEU  12          HD13      LEU  12  -1.355  17.470 -10.373
  113   HD21  LEU  12          HD21      LEU  12  -2.569  16.309  -8.182
  114   HD22  LEU  12          HD22      LEU  12  -1.304  15.439  -7.225
  115   HD23  LEU  12          HD23      LEU  12  -1.397  15.218  -9.008
  116    H    PHE  13           HN       PHE  13   3.458  15.453  -8.872
  117    HA   PHE  13           HA       PHE  13   4.804  17.915  -9.360
  118    HB2  PHE  13           HB2      PHE  13   6.324  15.455  -8.432
  119    HB3  PHE  13           HB1      PHE  13   6.474  17.178  -7.864
  120    HD1  PHE  13           HD1      PHE  13   5.359  14.081  -7.058
  121    HD2  PHE  13           HD2      PHE  13   4.205  18.140  -7.120
  122    HE1  PHE  13           HE1      PHE  13   3.570  13.601  -5.550
  123    HE2  PHE  13           HE2      PHE  13   2.428  17.670  -5.586
  124    HZ   PHE  13           HZ       PHE  13   2.100  15.410  -4.791
  125    H    LEU  14           HN       LEU  14   3.799  15.789 -11.331
  126    HA   LEU  14           HA       LEU  14   6.285  15.556 -12.802
  127    HB2  LEU  14           HB2      LEU  14   3.780  13.834 -12.926
  128    HB3  LEU  14           HB1      LEU  14   5.230  13.609 -13.980
  129    HG   LEU  14           HG       LEU  14   4.969  13.171 -10.940
  130   HD11  LEU  14          HD11      LEU  14   4.442  11.354 -12.789
  131   HD12  LEU  14          HD12      LEU  14   5.516  10.895 -11.413
  132   HD13  LEU  14          HD13      LEU  14   6.228  11.281 -13.024
  133   HD21  LEU  14          HD21      LEU  14   7.488  13.780 -12.563
  134   HD22  LEU  14          HD22      LEU  14   7.576  12.503 -11.292
  135   HD23  LEU  14          HD23      LEU  14   7.077  14.179 -10.851
  136    H    ARG  15           HN       ARG  15   3.351  17.286 -12.684
  137    HA   ARG  15           HA       ARG  15   2.922  17.127 -15.529
  138    HB2  ARG  15           HB2      ARG  15   1.198  18.915 -15.112
  139    HB3  ARG  15           HB1      ARG  15   0.902  17.288 -14.402
  140    HG2  ARG  15           HG2      ARG  15   0.969  18.058 -12.271
  141    HG3  ARG  15           HG1      ARG  15   2.400  19.095 -12.590
  142    HD2  ARG  15           HD2      ARG  15   0.712  20.682 -12.127
  143    HD3  ARG  15           HD1      ARG  15   0.681  20.587 -13.946
  144    HE   ARG  15           HE       ARG  15  -1.140  18.627 -12.893
  145   HH11  ARG  15          HH11      ARG  15  -0.658  22.145 -13.155
  146   HH12  ARG  15          HH12      ARG  15  -2.346  22.532 -13.191
  147   HH21  ARG  15          HH21      ARG  15  -3.441  19.152 -12.943
  148   HH22  ARG  15          HH22      ARG  15  -3.954  20.801 -13.067
  149    H    LYS  16           HN       LYS  16   4.445  19.161 -13.137
  150    HA   LYS  16           HA       LYS  16   5.930  20.589 -14.882
  151    HB2  LYS  16           HB2      LYS  16   4.738  22.711 -15.239
  152    HB3  LYS  16           HB1      LYS  16   3.700  21.369 -15.841
  153    HG2  LYS  16           HG2      LYS  16   2.080  22.399 -14.651
  154    HG3  LYS  16           HG1      LYS  16   2.789  21.486 -13.280
  155    HD2  LYS  16           HD2      LYS  16   2.862  23.559 -12.288
  156    HD3  LYS  16           HD1      LYS  16   4.391  23.719 -13.221
  157    HE2  LYS  16           HE2      LYS  16   3.175  24.912 -15.054
  158    HE3  LYS  16           HE1      LYS  16   1.612  24.713 -14.156
  159    HZ1  LYS  16           HZ1      LYS  16   3.149  26.834 -13.958
  160    HZ2  LYS  16           HZ2      LYS  16   3.842  25.917 -12.709
  161    HZ3  LYS  16           HZ3      LYS  16   2.182  26.274 -12.680
  162    H    LYS  17           HN       LYS  17   3.920  20.335 -12.026
  163    HA   LYS  17           HA       LYS  17   5.083  22.326 -10.491
  164    HB2  LYS  17           HB2      LYS  17   3.746  19.649  -9.838
  165    HB3  LYS  17           HB1      LYS  17   4.304  20.784  -8.543
  166    HG2  LYS  17           HG2      LYS  17   2.846  22.588  -9.524
  167    HG3  LYS  17           HG1      LYS  17   2.275  21.427 -10.774
  168    HD2  LYS  17           HD2      LYS  17   1.352  19.951  -8.981
  169    HD3  LYS  17           HD1      LYS  17   1.936  21.099  -7.729
  170    HE2  LYS  17           HE2      LYS  17   0.436  22.889  -8.657
  171    HE3  LYS  17           HE1      LYS  17  -0.152  21.732  -9.924
  172    HZ1  LYS  17           HZ1      LYS  17  -0.652  20.272  -7.863
  173    HZ2  LYS  17           HZ2      LYS  17  -1.705  21.528  -8.308
  174    HZ3  LYS  17           HZ3      LYS  17  -0.618  21.745  -7.021
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1  -0.443   5.035   3.271
    2    H2   ALA   1           HT2      ALA   1  -0.185   5.163   4.946
    3    H3   ALA   1           HT3      ALA   1  -1.215   6.261   4.159
    4    HA   ALA   1           HA       ALA   1  -1.750   3.676   5.205
    5    HB1  ALA   1           HB1      ALA   1  -3.519   5.953   4.113
    6    HB2  ALA   1           HB2      ALA   1  -3.046   5.710   5.837
    7    HB3  ALA   1           HB3      ALA   1  -4.140   4.525   5.027
    8    H    MET   2           HN       MET   2  -2.422   5.320   2.026
    9    HA   MET   2           HA       MET   2  -2.527   2.668   0.846
   10    HB2  MET   2           HB2      MET   2  -4.964   3.549   1.451
   11    HB3  MET   2           HB1      MET   2  -4.660   4.742   0.134
   12    HG2  MET   2           HG2      MET   2  -5.880   2.876  -0.808
   13    HG3  MET   2           HG1      MET   2  -4.209   2.844  -1.450
   14    HE1  MET   2           HE1      MET   2  -4.267   0.520  -2.334
   15    HE2  MET   2           HE2      MET   2  -6.018   0.548  -1.923
   16    HE3  MET   2           HE3      MET   2  -5.018  -0.883  -1.496
   17    H    ARG   3           HN       ARG   3  -1.556   2.725  -1.242
   18    HA   ARG   3           HA       ARG   3  -0.665   5.382  -1.961
   19    HB2  ARG   3           HB2      ARG   3   0.841   3.193  -1.841
   20    HB3  ARG   3           HB1      ARG   3   0.120   2.884  -3.456
   21    HG2  ARG   3           HG2      ARG   3   0.833   5.488  -3.804
   22    HG3  ARG   3           HG1      ARG   3   2.060   5.020  -2.573
   23    HD2  ARG   3           HD2      ARG   3   1.537   3.323  -5.084
   24    HD3  ARG   3           HD1      ARG   3   2.747   4.683  -5.056
   25    HE   ARG   3           HE       ARG   3   3.245   2.998  -2.788
   26   HH11  ARG   3          HH11      ARG   3   3.310   2.936  -6.348
   27   HH12  ARG   3          HH12      ARG   3   4.591   1.776  -6.459
   28   HH21  ARG   3          HH21      ARG   3   4.989   1.420  -2.937
   29   HH22  ARG   3          HH22      ARG   3   5.562   0.900  -4.486
   30    H    ILE   4           HN       ILE   4  -2.960   5.814  -2.400
   31    HA   ILE   4           HA       ILE   4  -3.459   5.117  -5.198
   32    HB   ILE   4           HB       ILE   4  -5.843   5.619  -4.662
   33   HG12  ILE   4          HG12      ILE   4  -4.797   5.436  -1.784
   34   HG13  ILE   4          HG11      ILE   4  -5.337   6.934  -2.616
   35   HG21  ILE   4          HG21      ILE   4  -4.270   3.252  -3.500
   36   HG22  ILE   4          HG22      ILE   4  -5.350   3.296  -4.947
   37   HG23  ILE   4          HG23      ILE   4  -6.062   3.325  -3.288
   38   HD11  ILE   4          HD11      ILE   4  -7.253   6.306  -1.360
   39   HD12  ILE   4          HD12      ILE   4  -7.028   4.547  -1.694
   40   HD13  ILE   4          HD13      ILE   4  -7.616   5.647  -2.999
   41    H    SER   5           HN       SER   5  -2.892   7.404  -2.708
   42    HA   SER   5           HA       SER   5  -3.888   9.518  -4.470
   43    HB2  SER   5           HB2      SER   5  -3.865  11.032  -2.452
   44    HB3  SER   5           HB1      SER   5  -4.953   9.610  -2.204
   45    HG   SER   5           HG       SER   5  -2.437  10.191  -1.114
   46    H    ARG   6           HN       ARG   6  -1.211   7.946  -4.500
   47    HA   ARG   6           HA       ARG   6   0.295  10.394  -4.518
   48    HB2  ARG   6           HB2      ARG   6   1.112   9.196  -2.537
   49    HB3  ARG   6           HB1      ARG   6   1.184   7.661  -3.470
   50    HG2  ARG   6           HG2      ARG   6   3.413   8.965  -3.054
   51    HG3  ARG   6           HG1      ARG   6   3.082   8.322  -4.696
   52    HD2  ARG   6           HD2      ARG   6   3.945  10.643  -4.898
   53    HD3  ARG   6           HD1      ARG   6   2.184  10.628  -5.367
   54    HE   ARG   6           HE       ARG   6   1.684  11.853  -3.382
   55   HH11  ARG   6          HH11      ARG   6   5.067  10.721  -3.400
   56   HH12  ARG   6          HH12      ARG   6   5.558  11.693  -2.055
   57   HH21  ARG   6          HH21      ARG   6   2.356  13.170  -1.553
   58   HH22  ARG   6          HH22      ARG   6   3.992  13.107  -0.988
   59    H    ILE   7           HN       ILE   7  -1.309   9.416  -6.411
   60    HA   ILE   7           HA       ILE   7   0.640   8.528  -8.352
   61    HB   ILE   7           HB       ILE   7  -2.053   8.030  -9.248
   62   HG12  ILE   7          HG12      ILE   7  -2.453   7.966  -6.732
   63   HG13  ILE   7          HG11      ILE   7  -2.926   6.494  -7.647
   64   HG21  ILE   7          HG21      ILE   7  -1.085   5.613  -9.353
   65   HG22  ILE   7          HG22      ILE   7   0.431   6.299  -8.655
   66   HG23  ILE   7          HG23      ILE   7  -0.173   6.885 -10.251
   67   HD11  ILE   7          HD11      ILE   7  -0.122   6.468  -6.552
   68   HD12  ILE   7          HD12      ILE   7  -1.378   5.172  -6.560
   69   HD13  ILE   7          HD13      ILE   7  -1.438   6.482  -5.318
   70    H    ILE   8           HN       ILE   8  -2.247  10.231  -7.396
   71    HA   ILE   8           HA       ILE   8  -2.285  11.889  -9.669
   72    HB   ILE   8           HB       ILE   8  -3.371  12.461  -6.872
   73   HG12  ILE   8          HG12      ILE   8  -5.536  11.416  -8.012
   74   HG13  ILE   8          HG11      ILE   8  -4.324  10.540  -9.012
   75   HG21  ILE   8          HG21      ILE   8  -3.459  14.374  -8.425
   76   HG22  ILE   8          HG22      ILE   8  -5.129  13.710  -8.266
   77   HG23  ILE   8          HG23      ILE   8  -4.151  13.347  -9.738
   78   HD11  ILE   8          HD11      ILE   8  -4.004   9.044  -7.323
   79   HD12  ILE   8          HD12      ILE   8  -5.185   9.930  -6.286
   80   HD13  ILE   8          HD13      ILE   8  -3.429  10.373  -6.243
   81    H    LEU   9           HN       LEU   9  -1.074  12.031  -6.307
   82    HA   LEU   9           HA       LEU   9  -0.045  14.559  -6.898
   83    HB2  LEU   9           HB2      LEU   9   0.339  12.495  -4.770
   84    HB3  LEU   9           HB1      LEU   9   1.515  13.846  -4.914
   85    HG   LEU   9           HG       LEU   9  -0.319  14.319  -3.245
   86   HD11  LEU   9          HD11      LEU   9  -1.121  16.529  -4.759
   87   HD12  LEU   9          HD12      LEU   9   0.403  16.041  -5.596
   88   HD13  LEU   9          HD13      LEU   9   0.420  16.414  -3.827
   89   HD21  LEU   9          HD21      LEU   9  -2.211  14.517  -5.670
   90   HD22  LEU   9          HD22      LEU   9  -2.622  14.619  -3.913
   91   HD23  LEU   9          HD23      LEU   9  -2.100  13.047  -4.630
   92    H    DAS  10           HN       DAS  10   0.710  11.274  -7.371
   93    HA   DAS  10           HA       DAS  10   2.469  10.306  -8.178
   94    HB2  DAS  10           HB2      DAS  10   4.101  12.828  -8.374
   95    HB3  DAS  10           HB1      DAS  10   3.773  12.143  -6.741
   96    H    PHE  11           HN       PHE  11   0.746  12.858  -9.311
   97    HA   PHE  11           HA       PHE  11   1.902  12.616 -12.014
   98    HB2  PHE  11           HB2      PHE  11  -0.281  12.224 -12.786
   99    HB3  PHE  11           HB1      PHE  11  -0.842  12.287 -11.059
  100    HD1  PHE  11           HD1      PHE  11  -0.028  14.468 -13.974
  101    HD2  PHE  11           HD2      PHE  11  -2.025  13.952 -10.321
  102    HE1  PHE  11           HE1      PHE  11  -0.911  16.715 -14.127
  103    HE2  PHE  11           HE2      PHE  11  -2.822  16.126 -10.351
  104    HZ   PHE  11           HZ       PHE  11  -2.372  17.604 -12.323
  105    H    LEU  12           HN       LEU  12   0.832  14.530  -9.229
  106    HA   LEU  12           HA       LEU  12   0.593  16.990 -10.470
  107    HB2  LEU  12           HB2      LEU  12   0.947  15.850  -7.817
  108    HB3  LEU  12           HB1      LEU  12   1.648  17.499  -7.917
  109    HG   LEU  12           HG       LEU  12  -0.396  17.933  -7.182
  110   HD11  LEU  12          HD11      LEU  12  -1.330  17.777 -10.070
  111   HD12  LEU  12          HD12      LEU  12   0.001  18.890  -9.588
  112   HD13  LEU  12          HD13      LEU  12  -1.635  19.059  -8.839
  113   HD21  LEU  12          HD21      LEU  12  -2.502  16.631  -7.896
  114   HD22  LEU  12          HD22      LEU  12  -1.261  15.772  -6.899
  115   HD23  LEU  12          HD23      LEU  12  -1.350  15.486  -8.674
  116    H    PHE  13           HN       PHE  13   3.461  15.614  -8.795
  117    HA   PHE  13           HA       PHE  13   4.843  18.031  -9.402
  118    HB2  PHE  13           HB2      PHE  13   6.357  15.565  -8.493
  119    HB3  PHE  13           HB1      PHE  13   6.551  17.293  -7.957
  120    HD1  PHE  13           HD1      PHE  13   5.470  14.226  -7.030
  121    HD2  PHE  13           HD2      PHE  13   4.301  18.279  -7.146
  122    HE1  PHE  13           HE1      PHE  13   3.752  13.784  -5.427
  123    HE2  PHE  13           HE2      PHE  13   2.597  17.845  -5.523
  124    HZ   PHE  13           HZ       PHE  13   2.314  15.606  -4.656
  125    H    LEU  14           HN       LEU  14   3.693  15.902 -11.288
  126    HA   LEU  14           HA       LEU  14   6.115  15.546 -12.838
  127    HB2  LEU  14           HB2      LEU  14   3.553  13.908 -12.820
  128    HB3  LEU  14           HB1      LEU  14   4.946  13.613 -13.931
  129    HG   LEU  14           HG       LEU  14   4.807  13.245 -10.875
  130   HD11  LEU  14          HD11      LEU  14   4.144  11.408 -12.652
  131   HD12  LEU  14          HD12      LEU  14   5.276  10.943 -11.324
  132   HD13  LEU  14          HD13      LEU  14   5.914  11.279 -12.977
  133   HD21  LEU  14          HD21      LEU  14   7.269  13.753 -12.613
  134   HD22  LEU  14          HD22      LEU  14   7.377  12.491 -11.330
  135   HD23  LEU  14          HD23      LEU  14   6.945  14.186 -10.892
  136    H    ARG  15           HN       ARG  15   3.182  17.319 -12.686
  137    HA   ARG  15           HA       ARG  15   2.544  17.062 -15.439
  138    HB2  ARG  15           HB2      ARG  15   1.036  18.945 -15.149
  139    HB3  ARG  15           HB1      ARG  15   0.774  17.659 -13.909
  140    HG2  ARG  15           HG2      ARG  15   2.486  19.183 -12.502
  141    HG3  ARG  15           HG1      ARG  15   1.898  20.452 -13.625
  142    HD2  ARG  15           HD2      ARG  15  -0.050  18.620 -12.148
  143    HD3  ARG  15           HD1      ARG  15   0.583  20.155 -11.394
  144    HE   ARG  15           HE       ARG  15  -0.377  20.688 -14.080
  145   HH11  ARG  15          HH11      ARG  15  -1.466  19.901 -10.782
  146   HH12  ARG  15          HH12      ARG  15  -3.006  20.676 -10.941
  147   HH21  ARG  15          HH21      ARG  15  -2.468  21.740 -14.296
  148   HH22  ARG  15          HH22      ARG  15  -3.585  21.739 -12.974
  149    H    LYS  16           HN       LYS  16   4.569  19.069 -13.443
  150    HA   LYS  16           HA       LYS  16   6.059  20.134 -15.407
  151    HB2  LYS  16           HB2      LYS  16   5.086  22.290 -15.994
  152    HB3  LYS  16           HB1      LYS  16   3.798  21.061 -16.250
  153    HG2  LYS  16           HG2      LYS  16   2.498  22.447 -15.056
  154    HG3  LYS  16           HG1      LYS  16   3.304  21.707 -13.640
  155    HD2  LYS  16           HD2      LYS  16   3.696  23.921 -13.104
  156    HD3  LYS  16           HD1      LYS  16   5.132  23.657 -14.154
  157    HE2  LYS  16           HE2      LYS  16   3.908  24.638 -16.107
  158    HE3  LYS  16           HE1      LYS  16   2.437  24.873 -15.072
  159    HZ1  LYS  16           HZ1      LYS  16   3.337  26.629 -14.098
  160    HZ2  LYS  16           HZ2      LYS  16   4.372  26.676 -15.443
  161    HZ3  LYS  16           HZ3      LYS  16   4.894  25.961 -13.994
  162    H    LYS  17           HN       LYS  17   4.258  20.347 -12.426
  163    HA   LYS  17           HA       LYS  17   5.652  22.335 -11.128
  164    HB2  LYS  17           HB2      LYS  17   4.262  19.771 -10.173
  165    HB3  LYS  17           HB1      LYS  17   4.952  20.986  -9.021
  166    HG2  LYS  17           HG2      LYS  17   3.485  22.758 -10.031
  167    HG3  LYS  17           HG1      LYS  17   2.792  21.534 -11.153
  168    HD2  LYS  17           HD2      LYS  17   1.963  20.215  -9.189
  169    HD3  LYS  17           HD1      LYS  17   2.650  21.444  -8.074
  170    HE2  LYS  17           HE2      LYS  17   0.476  22.021 -10.201
  171    HE3  LYS  17           HE1      LYS  17   0.168  21.752  -8.435
  172    HZ1  LYS  17           HZ1      LYS  17   0.486  23.898  -8.230
  173    HZ2  LYS  17           HZ2      LYS  17   1.091  24.074  -9.807
  174    HZ3  LYS  17           HZ3      LYS  17   2.137  23.647  -8.539
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1  -0.791   5.132   4.451
    2    H2   ALA   1           HT2      ALA   1  -0.349   5.151   2.811
    3    H3   ALA   1           HT3      ALA   1   0.784   4.693   3.991
    4    HA   ALA   1           HA       ALA   1   0.231   2.630   3.581
    5    HB1  ALA   1           HB1      ALA   1  -1.007   2.951   5.727
    6    HB2  ALA   1           HB2      ALA   1  -1.917   1.813   4.662
    7    HB3  ALA   1           HB3      ALA   1  -2.448   3.532   4.812
    8    H    MET   2           HN       MET   2  -2.658   4.648   2.668
    9    HA   MET   2           HA       MET   2  -3.160   2.747   0.523
   10    HB2  MET   2           HB2      MET   2  -4.745   4.878   1.926
   11    HB3  MET   2           HB1      MET   2  -4.995   4.806   0.146
   12    HG2  MET   2           HG2      MET   2  -6.672   3.394   1.070
   13    HG3  MET   2           HG1      MET   2  -5.425   2.290   0.411
   14    HE1  MET   2           HE1      MET   2  -5.874   4.399   3.890
   15    HE2  MET   2           HE2      MET   2  -6.776   3.087   4.721
   16    HE3  MET   2           HE3      MET   2  -7.376   3.737   3.157
   17    H    ARG   3           HN       ARG   3  -1.398   3.144  -0.945
   18    HA   ARG   3           HA       ARG   3  -1.081   5.912  -1.710
   19    HB2  ARG   3           HB2      ARG   3   0.837   4.053  -1.459
   20    HB3  ARG   3           HB1      ARG   3   0.323   3.652  -3.131
   21    HG2  ARG   3           HG2      ARG   3   0.520   6.410  -3.283
   22    HG3  ARG   3           HG1      ARG   3   1.809   6.033  -2.087
   23    HD2  ARG   3           HD2      ARG   3   2.846   4.412  -3.687
   24    HD3  ARG   3           HD1      ARG   3   1.522   4.755  -4.887
   25    HE   ARG   3           HE       ARG   3   2.803   7.229  -4.044
   26   HH11  ARG   3          HH11      ARG   3   3.238   4.291  -6.012
   27   HH12  ARG   3          HH12      ARG   3   4.280   5.039  -7.175
   28   HH21  ARG   3          HH21      ARG   3   4.214   8.248  -5.630
   29   HH22  ARG   3          HH22      ARG   3   4.845   7.327  -6.954
   30    H    ILE   4           HN       ILE   4  -3.354   5.894  -2.339
   31    HA   ILE   4           HA       ILE   4  -3.534   4.948  -5.101
   32    HB   ILE   4           HB       ILE   4  -5.981   5.099  -4.768
   33   HG12  ILE   4          HG12      ILE   4  -5.169   5.428  -1.825
   34   HG13  ILE   4          HG11      ILE   4  -5.902   6.689  -2.875
   35   HG21  ILE   4          HG21      ILE   4  -4.318   3.172  -3.004
   36   HG22  ILE   4          HG22      ILE   4  -4.870   2.895  -4.702
   37   HG23  ILE   4          HG23      ILE   4  -6.073   2.927  -3.356
   38   HD11  ILE   4          HD11      ILE   4  -7.197   4.196  -1.680
   39   HD12  ILE   4          HD12      ILE   4  -7.843   4.876  -3.221
   40   HD13  ILE   4          HD13      ILE   4  -7.799   5.896  -1.733
   41    H    SER   5           HN       SER   5  -3.544   7.502  -2.788
   42    HA   SER   5           HA       SER   5  -4.494   9.285  -4.907
   43    HB2  SER   5           HB2      SER   5  -4.844   9.624  -1.868
   44    HB3  SER   5           HB1      SER   5  -5.264  10.883  -3.097
   45    HG   SER   5           HG       SER   5  -6.392   8.681  -3.911
   46    H    ARG   6           HN       ARG   6  -1.725   8.402  -4.580
   47    HA   ARG   6           HA       ARG   6  -0.704  11.015  -4.043
   48    HB2  ARG   6           HB2      ARG   6  -0.208   9.921  -1.933
   49    HB3  ARG   6           HB1      ARG   6   0.268   8.412  -2.779
   50    HG2  ARG   6           HG2      ARG   6   2.177   9.861  -1.840
   51    HG3  ARG   6           HG1      ARG   6   2.319   9.338  -3.551
   52    HD2  ARG   6           HD2      ARG   6   2.942  11.745  -3.372
   53    HD3  ARG   6           HD1      ARG   6   1.368  11.596  -4.279
   54    HE   ARG   6           HE       ARG   6   0.252  12.606  -2.436
   55   HH11  ARG   6          HH11      ARG   6   3.614  11.758  -1.600
   56   HH12  ARG   6          HH12      ARG   6   3.627  12.642  -0.111
   57   HH21  ARG   6          HH21      ARG   6   0.274  13.806  -0.414
   58   HH22  ARG   6          HH22      ARG   6   1.696  13.824   0.574
   59    H    ILE   7           HN       ILE   7  -1.536   9.224  -6.281
   60    HA   ILE   7           HA       ILE   7   1.045   9.296  -7.624
   61    HB   ILE   7           HB       ILE   7  -1.266   7.616  -8.558
   62   HG12  ILE   7          HG12      ILE   7   0.149   5.773  -7.142
   63   HG13  ILE   7          HG11      ILE   7   0.521   7.223  -6.141
   64   HG21  ILE   7          HG21      ILE   7   0.630   7.852 -10.100
   65   HG22  ILE   7          HG22      ILE   7   0.746   6.204  -9.375
   66   HG23  ILE   7          HG23      ILE   7   1.822   7.527  -8.784
   67   HD11  ILE   7          HD11      ILE   7  -1.437   6.887  -5.070
   68   HD12  ILE   7          HD12      ILE   7  -1.968   5.644  -6.270
   69   HD13  ILE   7          HD13      ILE   7  -2.273   7.393  -6.582
   70    H    ILE   8           HN       ILE   8  -1.818  10.641  -7.014
   71    HA   ILE   8           HA       ILE   8  -1.998  11.837  -9.653
   72    HB   ILE   8           HB       ILE   8  -4.170  11.825  -7.548
   73   HG12  ILE   8          HG12      ILE   8  -5.054   9.884  -9.239
   74   HG13  ILE   8          HG11      ILE   8  -3.278   9.615  -9.379
   75   HG21  ILE   8          HG21      ILE   8  -3.964  12.359 -10.580
   76   HG22  ILE   8          HG22      ILE   8  -4.611  13.435  -9.283
   77   HG23  ILE   8          HG23      ILE   8  -5.556  11.992  -9.813
   78   HD11  ILE   8          HD11      ILE   8  -3.340   9.732  -6.691
   79   HD12  ILE   8          HD12      ILE   8  -3.802   8.214  -7.553
   80   HD13  ILE   8          HD13      ILE   8  -5.085   9.312  -6.922
   81    H    LEU   9           HN       LEU   9  -0.252  12.061  -7.688
   82    HA   LEU   9           HA       LEU   9  -0.305  14.814  -7.146
   83    HB2  LEU   9           HB2      LEU   9  -0.237  12.648  -5.058
   84    HB3  LEU   9           HB1      LEU   9   0.954  13.978  -4.918
   85    HG   LEU   9           HG       LEU   9  -0.871  14.574  -3.513
   86   HD11  LEU   9          HD11      LEU   9  -1.965  16.384  -5.507
   87   HD12  LEU   9          HD12      LEU   9  -0.205  16.167  -5.855
   88   HD13  LEU   9          HD13      LEU   9  -0.745  16.721  -4.222
   89   HD21  LEU   9          HD21      LEU   9  -3.074  14.629  -5.516
   90   HD22  LEU   9          HD22      LEU   9  -3.038  13.963  -3.837
   91   HD23  LEU   9          HD23      LEU   9  -2.419  12.970  -5.217
   92    H    DAS  10           HN       DAS  10   0.741  11.547  -7.103
   93    HA   DAS  10           HA       DAS  10   2.621  10.614  -7.612
   94    HB2  DAS  10           HB2      DAS  10   4.057  13.275  -7.841
   95    HB3  DAS  10           HB1      DAS  10   3.770  12.506  -6.234
   96    H    PHE  11           HN       PHE  11   1.043  13.053  -9.168
   97    HA   PHE  11           HA       PHE  11   2.394  12.527 -11.706
   98    HB2  PHE  11           HB2      PHE  11   0.339  11.851 -12.589
   99    HB3  PHE  11           HB1      PHE  11  -0.365  12.025 -10.925
  100    HD1  PHE  11           HD1      PHE  11   0.316  13.787 -14.082
  101    HD2  PHE  11           HD2      PHE  11  -1.524  13.797 -10.292
  102    HE1  PHE  11           HE1      PHE  11  -0.747  15.888 -14.617
  103    HE2  PHE  11           HE2      PHE  11  -2.604  15.845 -10.776
  104    HZ   PHE  11           HZ       PHE  11  -2.285  16.954 -12.983
  105    H    LEU  12           HN       LEU  12   0.897  14.614  -9.246
  106    HA   LEU  12           HA       LEU  12   0.571  16.905 -10.784
  107    HB2  LEU  12           HB2      LEU  12   0.814  16.149  -7.957
  108    HB3  LEU  12           HB1      LEU  12   1.289  17.850  -8.271
  109    HG   LEU  12           HG       LEU  12  -0.877  17.964  -7.659
  110   HD11  LEU  12          HD11      LEU  12  -0.376  19.019  -9.963
  111   HD12  LEU  12          HD12      LEU  12  -2.115  18.814  -9.524
  112   HD13  LEU  12          HD13      LEU  12  -1.330  17.664 -10.669
  113   HD21  LEU  12          HD21      LEU  12  -2.605  16.288  -8.902
  114   HD22  LEU  12          HD22      LEU  12  -1.739  15.906  -7.364
  115   HD23  LEU  12          HD23      LEU  12  -1.099  15.286  -8.927
  116    H    PHE  13           HN       PHE  13   3.309  15.906  -8.708
  117    HA   PHE  13           HA       PHE  13   4.586  18.355  -9.347
  118    HB2  PHE  13           HB2      PHE  13   6.155  16.071  -8.112
  119    HB3  PHE  13           HB1      PHE  13   6.156  17.834  -7.668
  120    HD1  PHE  13           HD1      PHE  13   5.271  14.773  -6.597
  121    HD2  PHE  13           HD2      PHE  13   3.694  18.639  -7.228
  122    HE1  PHE  13           HE1      PHE  13   3.419  14.263  -5.160
  123    HE2  PHE  13           HE2      PHE  13   1.858  18.140  -5.779
  124    HZ   PHE  13           HZ       PHE  13   1.700  15.954  -4.753
  125    H    LEU  14           HN       LEU  14   3.791  15.919 -11.128
  126    HA   LEU  14           HA       LEU  14   6.363  15.652 -12.437
  127    HB2  LEU  14           HB2      LEU  14   3.944  13.807 -12.450
  128    HB3  LEU  14           HB1      LEU  14   5.454  13.520 -13.401
  129    HG   LEU  14           HG       LEU  14   5.076  13.479 -10.344
  130   HD11  LEU  14          HD11      LEU  14   6.480  11.362 -12.076
  131   HD12  LEU  14          HD12      LEU  14   4.681  11.413 -11.955
  132   HD13  LEU  14          HD13      LEU  14   5.680  11.184 -10.469
  133   HD21  LEU  14          HD21      LEU  14   7.698  12.886 -10.464
  134   HD22  LEU  14          HD22      LEU  14   7.141  14.597 -10.363
  135   HD23  LEU  14          HD23      LEU  14   7.648  13.907 -11.951
  136    H    ARG  15           HN       ARG  15   3.228  17.089 -12.748
  137    HA   ARG  15           HA       ARG  15   2.896  16.476 -15.491
  138    HB2  ARG  15           HB2      ARG  15   1.193  18.232 -15.538
  139    HB3  ARG  15           HB1      ARG  15   0.939  17.047 -14.199
  140    HG2  ARG  15           HG2      ARG  15   2.456  18.919 -12.896
  141    HG3  ARG  15           HG1      ARG  15   1.649  19.965 -14.108
  142    HD2  ARG  15           HD2      ARG  15   0.106  17.957 -12.394
  143    HD3  ARG  15           HD1      ARG  15   0.412  19.669 -11.857
  144    HE   ARG  15           HE       ARG  15  -1.399  18.773 -14.046
  145   HH11  ARG  15          HH11      ARG  15   0.421  21.428 -12.512
  146   HH12  ARG  15          HH12      ARG  15  -0.549  22.689 -13.197
  147   HH21  ARG  15          HH21      ARG  15  -2.712  20.489 -14.972
  148   HH22  ARG  15          HH22      ARG  15  -2.358  22.145 -14.617
  149    H    LYS  16           HN       LYS  16   4.141  19.169 -13.581
  150    HA   LYS  16           HA       LYS  16   5.965  19.954 -15.516
  151    HB2  LYS  16           HB2      LYS  16   4.873  21.925 -16.434
  152    HB3  LYS  16           HB1      LYS  16   3.830  20.483 -16.731
  153    HG2  LYS  16           HG2      LYS  16   2.117  21.349 -15.603
  154    HG3  LYS  16           HG1      LYS  16   3.132  21.667 -14.155
  155    HD2  LYS  16           HD2      LYS  16   3.941  23.782 -15.156
  156    HD3  LYS  16           HD1      LYS  16   2.977  23.470 -16.641
  157    HE2  LYS  16           HE2      LYS  16   0.853  23.616 -15.327
  158    HE3  LYS  16           HE1      LYS  16   1.803  23.855 -13.800
  159    HZ1  LYS  16           HZ1      LYS  16   1.386  25.670 -16.068
  160    HZ2  LYS  16           HZ2      LYS  16   2.835  25.781 -15.191
  161    HZ3  LYS  16           HZ3      LYS  16   1.345  25.968 -14.398
  162    H    LYS  17           HN       LYS  17   5.635  19.358 -12.741
  163    HA   LYS  17           HA       LYS  17   6.239  21.974 -11.604
  164    HB2  LYS  17           HB2      LYS  17   4.253  19.863 -10.620
  165    HB3  LYS  17           HB1      LYS  17   5.084  20.950  -9.438
  166    HG2  LYS  17           HG2      LYS  17   4.204  22.950 -10.678
  167    HG3  LYS  17           HG1      LYS  17   3.357  21.856 -11.826
  168    HD2  LYS  17           HD2      LYS  17   2.055  20.884  -9.906
  169    HD3  LYS  17           HD1      LYS  17   2.880  22.021  -8.786
  170    HE2  LYS  17           HE2      LYS  17   1.126  22.880 -11.187
  171    HE3  LYS  17           HE1      LYS  17   0.586  22.834  -9.457
  172    HZ1  LYS  17           HZ1      LYS  17   1.288  24.920  -9.502
  173    HZ2  LYS  17           HZ2      LYS  17   2.313  24.704 -10.839
  174    HZ3  LYS  17           HZ3      LYS  17   2.835  24.253  -9.288
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1  -3.167   5.830   4.530
    2    H2   ALA   1           HT2      ALA   1  -3.462   4.598   5.661
    3    H3   ALA   1           HT3      ALA   1  -4.036   4.443   4.071
    4    HA   ALA   1           HA       ALA   1  -1.237   4.900   4.160
    5    HB1  ALA   1           HB1      ALA   1  -2.338   2.331   5.463
    6    HB2  ALA   1           HB2      ALA   1  -1.458   3.642   6.336
    7    HB3  ALA   1           HB3      ALA   1  -0.600   2.654   5.095
    8    H    MET   2           HN       MET   2  -2.994   5.043   2.039
    9    HA   MET   2           HA       MET   2  -2.422   2.510   0.662
   10    HB2  MET   2           HB2      MET   2  -4.832   4.378   0.234
   11    HB3  MET   2           HB1      MET   2  -4.449   2.929  -0.762
   12    HG2  MET   2           HG2      MET   2  -4.739   1.458   1.226
   13    HG3  MET   2           HG1      MET   2  -5.087   2.889   2.248
   14    HE1  MET   2           HE1      MET   2  -8.497   1.135   2.205
   15    HE2  MET   2           HE2      MET   2  -7.221   1.952   3.170
   16    HE3  MET   2           HE3      MET   2  -6.841   0.441   2.273
   17    H    ARG   3           HN       ARG   3  -1.406   2.773  -1.381
   18    HA   ARG   3           HA       ARG   3  -0.805   5.543  -1.966
   19    HB2  ARG   3           HB2      ARG   3   0.969   3.577  -1.868
   20    HB3  ARG   3           HB1      ARG   3   0.308   3.184  -3.492
   21    HG2  ARG   3           HG2      ARG   3   0.681   5.877  -3.792
   22    HG3  ARG   3           HG1      ARG   3   1.972   5.524  -2.589
   23    HD2  ARG   3           HD2      ARG   3   1.573   3.991  -5.232
   24    HD3  ARG   3           HD1      ARG   3   2.791   5.316  -4.978
   25    HE   ARG   3           HE       ARG   3   2.932   2.544  -3.931
   26   HH11  ARG   3          HH11      ARG   3   4.026   5.928  -3.665
   27   HH12  ARG   3          HH12      ARG   3   5.502   5.544  -2.843
   28   HH21  ARG   3          HH21      ARG   3   4.937   2.029  -2.816
   29   HH22  ARG   3          HH22      ARG   3   6.027   3.292  -2.353
   30    H    ILE   4           HN       ILE   4  -3.134   5.676  -2.447
   31    HA   ILE   4           HA       ILE   4  -3.503   4.939  -5.253
   32    HB   ILE   4           HB       ILE   4  -5.922   5.184  -4.765
   33   HG12  ILE   4          HG12      ILE   4  -4.929   5.222  -1.860
   34   HG13  ILE   4          HG11      ILE   4  -5.641   6.608  -2.759
   35   HG21  ILE   4          HG21      ILE   4  -4.241   3.043  -3.293
   36   HG22  ILE   4          HG22      ILE   4  -4.956   2.931  -4.949
   37   HG23  ILE   4          HG23      ILE   4  -6.031   2.911  -3.499
   38   HD11  ILE   4          HD11      ILE   4  -7.726   5.019  -3.128
   39   HD12  ILE   4          HD12      ILE   4  -7.485   5.786  -1.512
   40   HD13  ILE   4          HD13      ILE   4  -7.026   4.060  -1.769
   41    H    SER   5           HN       SER   5  -3.246   7.299  -2.768
   42    HA   SER   5           HA       SER   5  -4.250   9.290  -4.667
   43    HB2  SER   5           HB2      SER   5  -4.320   9.414  -1.592
   44    HB3  SER   5           HB1      SER   5  -4.778  10.778  -2.688
   45    HG   SER   5           HG       SER   5  -6.101   8.732  -3.564
   46    H    ARG   6           HN       ARG   6  -1.520   8.235  -4.637
   47    HA   ARG   6           HA       ARG   6  -0.293  10.736  -3.983
   48    HB2  ARG   6           HB2      ARG   6   0.310   9.409  -2.040
   49    HB3  ARG   6           HB1      ARG   6   0.612   7.967  -3.065
   50    HG2  ARG   6           HG2      ARG   6   2.688   9.197  -2.177
   51    HG3  ARG   6           HG1      ARG   6   2.642   8.860  -3.942
   52    HD2  ARG   6           HD2      ARG   6   3.429  11.197  -3.565
   53    HD3  ARG   6           HD1      ARG   6   1.778  11.228  -4.334
   54    HE   ARG   6           HE       ARG   6   0.885  12.081  -2.299
   55   HH11  ARG   6          HH11      ARG   6   4.258  11.001  -1.881
   56   HH12  ARG   6          HH12      ARG   6   4.450  11.710  -0.312
   57   HH21  ARG   6          HH21      ARG   6   1.151  13.041  -0.168
   58   HH22  ARG   6          HH22      ARG   6   2.653  12.888   0.676
   59    H    ILE   7           HN       ILE   7  -1.421   9.134  -6.288
   60    HA   ILE   7           HA       ILE   7   1.045   9.212  -7.832
   61    HB   ILE   7           HB       ILE   7  -1.422   7.704  -8.664
   62   HG12  ILE   7          HG12      ILE   7   0.070   5.711  -7.558
   63   HG13  ILE   7          HG11      ILE   7   0.597   7.067  -6.497
   64   HG21  ILE   7          HG21      ILE   7   1.611   7.600  -9.261
   65   HG22  ILE   7          HG22      ILE   7   0.260   7.958 -10.404
   66   HG23  ILE   7          HG23      ILE   7   0.482   6.286  -9.765
   67   HD11  ILE   7          HD11      ILE   7  -1.901   5.542  -6.412
   68   HD12  ILE   7          HD12      ILE   7  -2.251   7.294  -6.662
   69   HD13  ILE   7          HD13      ILE   7  -1.258   6.768  -5.253
   70    H    ILE   8           HN       ILE   8  -1.642  10.662  -6.876
   71    HA   ILE   8           HA       ILE   8  -1.991  12.043  -9.404
   72    HB   ILE   8           HB       ILE   8  -3.933  12.019  -7.085
   73   HG12  ILE   8          HG12      ILE   8  -5.136  10.303  -8.812
   74   HG13  ILE   8          HG11      ILE   8  -3.412   9.935  -9.188
   75   HG21  ILE   8          HG21      ILE   8  -5.526  12.493  -9.156
   76   HG22  ILE   8          HG22      ILE   8  -4.001  12.802 -10.069
   77   HG23  ILE   8          HG23      ILE   8  -4.411  13.809  -8.628
   78   HD11  ILE   8          HD11      ILE   8  -4.979   9.426  -6.628
   79   HD12  ILE   8          HD12      ILE   8  -3.232   9.870  -6.461
   80   HD13  ILE   8          HD13      ILE   8  -3.712   8.429  -7.435
   81    H    LEU   9           HN       LEU   9  -0.038  12.025  -7.653
   82    HA   LEU   9           HA       LEU   9   0.167  14.732  -6.936
   83    HB2  LEU   9           HB2      LEU   9   0.314  12.424  -5.011
   84    HB3  LEU   9           HB1      LEU   9   1.612  13.657  -4.932
   85    HG   LEU   9           HG       LEU   9   0.008  14.272  -3.284
   86   HD11  LEU   9          HD11      LEU   9   0.222  16.450  -3.866
   87   HD12  LEU   9          HD12      LEU   9  -1.164  16.293  -5.010
   88   HD13  LEU   9          HD13      LEU   9   0.519  15.980  -5.586
   89   HD21  LEU   9          HD21      LEU   9  -2.394  14.616  -5.012
   90   HD22  LEU   9          HD22      LEU   9  -2.224  13.842  -3.389
   91   HD23  LEU   9          HD23      LEU   9  -1.839  12.901  -4.883
   92    H    DAS  10           HN       DAS  10   0.982  11.410  -7.218
   93    HA   DAS  10           HA       DAS  10   2.727  10.397  -7.999
   94    HB2  DAS  10           HB2      DAS  10   4.279  12.998  -8.218
   95    HB3  DAS  10           HB1      DAS  10   4.176  12.084  -6.666
   96    H    PHE  11           HN       PHE  11   1.154  13.035  -9.206
   97    HA   PHE  11           HA       PHE  11   2.153  12.599 -11.918
   98    HB2  PHE  11           HB2      PHE  11  -0.030  12.098 -12.580
   99    HB3  PHE  11           HB1      PHE  11  -0.521  12.204 -10.837
  100    HD1  PHE  11           HD1      PHE  11  -0.142  14.101 -13.958
  101    HD2  PHE  11           HD2      PHE  11  -1.449  14.014  -9.956
  102    HE1  PHE  11           HE1      PHE  11  -1.137  16.280 -14.251
  103    HE2  PHE  11           HE2      PHE  11  -2.455  16.140 -10.192
  104    HZ   PHE  11           HZ       PHE  11  -2.373  17.343 -12.374
  105    H    LEU  12           HN       LEU  12   1.109  14.601  -9.172
  106    HA   LEU  12           HA       LEU  12   0.768  17.009 -10.520
  107    HB2  LEU  12           HB2      LEU  12   1.273  16.045  -7.793
  108    HB3  LEU  12           HB1      LEU  12   1.838  17.728  -8.057
  109    HG   LEU  12           HG       LEU  12  -0.229  17.959  -7.200
  110   HD11  LEU  12          HD11      LEU  12   0.112  19.037  -9.574
  111   HD12  LEU  12          HD12      LEU  12  -1.535  19.067  -8.833
  112   HD13  LEU  12          HD13      LEU  12  -1.138  17.857 -10.109
  113   HD21  LEU  12          HD21      LEU  12  -0.793  15.381  -8.569
  114   HD22  LEU  12          HD22      LEU  12  -2.210  16.481  -8.303
  115   HD23  LEU  12          HD23      LEU  12  -1.195  15.942  -6.910
  116    H    PHE  13           HN       PHE  13   3.653  15.697  -8.852
  117    HA   PHE  13           HA       PHE  13   5.013  18.104  -9.492
  118    HB2  PHE  13           HB2      PHE  13   6.555  15.644  -8.602
  119    HB3  PHE  13           HB1      PHE  13   6.732  17.369  -8.053
  120    HD1  PHE  13           HD1      PHE  13   5.762  14.301  -7.073
  121    HD2  PHE  13           HD2      PHE  13   4.403  18.294  -7.268
  122    HE1  PHE  13           HE1      PHE  13   4.056  13.810  -5.458
  123    HE2  PHE  13           HE2      PHE  13   2.715  17.813  -5.645
  124    HZ   PHE  13           HZ       PHE  13   2.520  15.574  -4.746
  125    H    LEU  14           HN       LEU  14   3.838  15.866 -11.306
  126    HA   LEU  14           HA       LEU  14   6.197  15.536 -12.956
  127    HB2  LEU  14           HB2      LEU  14   3.683  13.834 -12.761
  128    HB3  LEU  14           HB1      LEU  14   5.043  13.525 -13.910
  129    HG   LEU  14           HG       LEU  14   5.047  13.311 -10.836
  130   HD11  LEU  14          HD11      LEU  14   4.316  11.381 -12.508
  131   HD12  LEU  14          HD12      LEU  14   5.450  10.998 -11.158
  132   HD13  LEU  14          HD13      LEU  14   6.083  11.219 -12.832
  133   HD21  LEU  14          HD21      LEU  14   7.588  12.559 -11.349
  134   HD22  LEU  14          HD22      LEU  14   7.167  14.286 -11.048
  135   HD23  LEU  14          HD23      LEU  14   7.413  13.698 -12.736
  136    H    ARG  15           HN       ARG  15   3.156  17.173 -12.754
  137    HA   ARG  15           HA       ARG  15   2.532  16.793 -15.522
  138    HB2  ARG  15           HB2      ARG  15   0.881  18.695 -15.101
  139    HB3  ARG  15           HB1      ARG  15   0.591  17.103 -14.314
  140    HG2  ARG  15           HG2      ARG  15   0.796  17.954 -12.226
  141    HG3  ARG  15           HG1      ARG  15   2.255  18.904 -12.656
  142    HD2  ARG  15           HD2      ARG  15   0.927  20.742 -12.450
  143    HD3  ARG  15           HD1      ARG  15   0.205  20.232 -14.043
  144    HE   ARG  15           HE       ARG  15  -1.100  18.781 -11.926
  145   HH11  ARG  15          HH11      ARG  15  -0.722  22.063 -13.255
  146   HH12  ARG  15          HH12      ARG  15  -2.289  22.611 -12.761
  147   HH21  ARG  15          HH21      ARG  15  -3.234  19.526 -11.251
  148   HH22  ARG  15          HH22      ARG  15  -3.740  21.144 -11.603
  149    H    LYS  16           HN       LYS  16   3.819  19.334 -13.407
  150    HA   LYS  16           HA       LYS  16   5.440  20.364 -15.414
  151    HB2  LYS  16           HB2      LYS  16   4.225  22.424 -15.952
  152    HB3  LYS  16           HB1      LYS  16   3.263  20.972 -16.420
  153    HG2  LYS  16           HG2      LYS  16   1.581  21.448 -15.018
  154    HG3  LYS  16           HG1      LYS  16   2.683  21.831 -13.651
  155    HD2  LYS  16           HD2      LYS  16   3.111  24.069 -14.571
  156    HD3  LYS  16           HD1      LYS  16   2.105  23.707 -16.014
  157    HE2  LYS  16           HE2      LYS  16   0.066  23.509 -14.577
  158    HE3  LYS  16           HE1      LYS  16   1.070  23.798 -13.095
  159    HZ1  LYS  16           HZ1      LYS  16   0.556  25.897 -13.456
  160    HZ2  LYS  16           HZ2      LYS  16   0.075  25.645 -15.065
  161    HZ3  LYS  16           HZ3      LYS  16   1.717  25.870 -14.695
  162    H    LYS  17           HN       LYS  17   5.480  19.508 -12.720
  163    HA   LYS  17           HA       LYS  17   6.137  22.036 -11.427
  164    HB2  LYS  17           HB2      LYS  17   4.206  19.872 -10.503
  165    HB3  LYS  17           HB1      LYS  17   5.232  20.680  -9.256
  166    HG2  LYS  17           HG2      LYS  17   3.639  22.355 -11.263
  167    HG3  LYS  17           HG1      LYS  17   2.826  21.641  -9.825
  168    HD2  LYS  17           HD2      LYS  17   4.488  22.776  -8.327
  169    HD3  LYS  17           HD1      LYS  17   5.293  23.494  -9.764
  170    HE2  LYS  17           HE2      LYS  17   2.321  23.975  -9.059
  171    HE3  LYS  17           HE1      LYS  17   3.676  25.075  -8.566
  172    HZ1  LYS  17           HZ1      LYS  17   3.957  24.541 -11.282
  173    HZ2  LYS  17           HZ2      LYS  17   3.516  25.997 -10.525
  174    HZ3  LYS  17           HZ3      LYS  17   2.318  24.900 -11.021
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1  -0.157   5.404   4.633
    2    H2   ALA   1           HT2      ALA   1  -1.574   6.262   4.258
    3    H3   ALA   1           HT3      ALA   1  -0.723   5.450   3.032
    4    HA   ALA   1           HA       ALA   1  -1.231   3.545   4.916
    5    HB1  ALA   1           HB1      ALA   1  -3.766   3.668   5.125
    6    HB2  ALA   1           HB2      ALA   1  -3.702   5.303   4.361
    7    HB3  ALA   1           HB3      ALA   1  -2.932   5.029   5.969
    8    H    MET   2           HN       MET   2  -2.815   5.223   2.099
    9    HA   MET   2           HA       MET   2  -2.605   2.645   0.705
   10    HB2  MET   2           HB2      MET   2  -4.831   4.750   0.407
   11    HB3  MET   2           HB1      MET   2  -4.659   3.265  -0.594
   12    HG2  MET   2           HG2      MET   2  -4.985   1.842   1.421
   13    HG3  MET   2           HG1      MET   2  -5.114   3.303   2.450
   14    HE1  MET   2           HE1      MET   2  -7.111   1.079   2.634
   15    HE2  MET   2           HE2      MET   2  -8.689   1.939   2.645
   16    HE3  MET   2           HE3      MET   2  -7.280   2.636   3.515
   17    H    ARG   3           HN       ARG   3  -1.702   2.809  -1.400
   18    HA   ARG   3           HA       ARG   3  -0.869   5.513  -2.031
   19    HB2  ARG   3           HB2      ARG   3   0.717   3.371  -2.000
   20    HB3  ARG   3           HB1      ARG   3  -0.029   3.076  -3.606
   21    HG2  ARG   3           HG2      ARG   3   0.606   5.768  -3.789
   22    HG3  ARG   3           HG1      ARG   3   1.941   5.158  -2.748
   23    HD2  ARG   3           HD2      ARG   3   1.124   3.750  -5.360
   24    HD3  ARG   3           HD1      ARG   3   2.371   5.076  -5.307
   25    HE   ARG   3           HE       ARG   3   3.052   3.153  -3.297
   26   HH11  ARG   3          HH11      ARG   3   2.715   3.435  -6.830
   27   HH12  ARG   3          HH12      ARG   3   3.932   2.259  -7.197
   28   HH21  ARG   3          HH21      ARG   3   4.709   1.551  -3.792
   29   HH22  ARG   3          HH22      ARG   3   5.084   1.168  -5.438
   30    H    ILE   4           HN       ILE   4  -3.199   5.838  -2.398
   31    HA   ILE   4           HA       ILE   4  -3.773   5.122  -5.174
   32    HB   ILE   4           HB       ILE   4  -6.133   5.567  -4.567
   33   HG12  ILE   4          HG12      ILE   4  -4.995   5.554  -1.714
   34   HG13  ILE   4          HG11      ILE   4  -5.636   6.985  -2.596
   35   HG21  ILE   4          HG21      ILE   4  -6.370   3.325  -3.275
   36   HG22  ILE   4          HG22      ILE   4  -4.569   3.311  -3.140
   37   HG23  ILE   4          HG23      ILE   4  -5.354   3.240  -4.765
   38   HD11  ILE   4          HD11      ILE   4  -7.185   4.544  -1.558
   39   HD12  ILE   4          HD12      ILE   4  -7.868   5.627  -2.830
   40   HD13  ILE   4          HD13      ILE   4  -7.454   6.292  -1.205
   41    H    SER   5           HN       SER   5  -3.182   7.465  -2.736
   42    HA   SER   5           HA       SER   5  -4.135   9.524  -4.582
   43    HB2  SER   5           HB2      SER   5  -4.420  11.046  -2.574
   44    HB3  SER   5           HB1      SER   5  -5.518   9.612  -2.517
   45    HG   SER   5           HG       SER   5  -3.128  10.119  -1.102
   46    H    ARG   6           HN       ARG   6  -1.479   8.220  -4.654
   47    HA   ARG   6           HA       ARG   6  -0.037  10.639  -4.136
   48    HB2  ARG   6           HB2      ARG   6   0.582   9.309  -2.205
   49    HB3  ARG   6           HB1      ARG   6   0.709   7.829  -3.211
   50    HG2  ARG   6           HG2      ARG   6   2.922   8.917  -2.473
   51    HG3  ARG   6           HG1      ARG   6   2.749   8.531  -4.217
   52    HD2  ARG   6           HD2      ARG   6   3.737  10.803  -3.983
   53    HD3  ARG   6           HD1      ARG   6   2.042  10.954  -4.638
   54    HE   ARG   6           HE       ARG   6   1.371  11.932  -2.570
   55   HH11  ARG   6          HH11      ARG   6   4.668  10.585  -2.360
   56   HH12  ARG   6          HH12      ARG   6   5.033  11.318  -0.835
   57   HH21  ARG   6          HH21      ARG   6   1.872  12.924  -0.497
   58   HH22  ARG   6          HH22      ARG   6   3.417  12.669   0.242
   59    H    ILE   7           HN       ILE   7  -1.414   9.188  -6.358
   60    HA   ILE   7           HA       ILE   7   0.962   9.020  -8.032
   61    HB   ILE   7           HB       ILE   7  -1.663   7.719  -8.720
   62   HG12  ILE   7          HG12      ILE   7  -0.303   5.614  -7.663
   63   HG13  ILE   7          HG11      ILE   7   0.398   6.924  -6.645
   64   HG21  ILE   7          HG21      ILE   7  -0.057   7.806 -10.544
   65   HG22  ILE   7          HG22      ILE   7   0.062   6.130  -9.887
   66   HG23  ILE   7          HG23      ILE   7   1.316   7.355  -9.464
   67   HD11  ILE   7          HD11      ILE   7  -2.378   7.466  -6.614
   68   HD12  ILE   7          HD12      ILE   7  -1.403   6.716  -5.298
   69   HD13  ILE   7          HD13      ILE   7  -2.272   5.670  -6.487
   70    H    ILE   8           HN       ILE   8  -1.660  10.645  -7.006
   71    HA   ILE   8           HA       ILE   8  -1.993  11.999  -9.547
   72    HB   ILE   8           HB       ILE   8  -3.741  12.257  -7.084
   73   HG12  ILE   8          HG12      ILE   8  -5.236  10.610  -8.628
   74   HG13  ILE   8          HG11      ILE   8  -3.599  10.070  -9.149
   75   HG21  ILE   8          HG21      ILE   8  -4.298  14.013  -8.578
   76   HG22  ILE   8          HG22      ILE   8  -5.418  12.725  -9.164
   77   HG23  ILE   8          HG23      ILE   8  -3.878  13.049 -10.045
   78   HD11  ILE   8          HD11      ILE   8  -3.215  10.108  -6.412
   79   HD12  ILE   8          HD12      ILE   8  -3.787   8.661  -7.327
   80   HD13  ILE   8          HD13      ILE   8  -4.981   9.714  -6.480
   81    H    LEU   9           HN       LEU   9  -0.234  11.744  -7.110
   82    HA   LEU   9           HA       LEU   9   0.231  14.581  -6.849
   83    HB2  LEU   9           HB2      LEU   9   0.593  12.209  -4.990
   84    HB3  LEU   9           HB1      LEU   9   1.723  13.594  -4.880
   85    HG   LEU   9           HG       LEU   9  -0.232  13.595  -3.234
   86   HD11  LEU   9          HD11      LEU   9   0.795  15.789  -4.967
   87   HD12  LEU   9          HD12      LEU   9   0.617  15.712  -3.172
   88   HD13  LEU   9          HD13      LEU   9  -0.795  16.167  -4.201
   89   HD21  LEU   9          HD21      LEU   9  -1.899  14.511  -5.654
   90   HD22  LEU   9          HD22      LEU   9  -2.460  14.129  -3.979
   91   HD23  LEU   9          HD23      LEU   9  -1.890  12.802  -5.068
   92    H    DAS  10           HN       DAS  10   0.980  11.290  -7.317
   93    HA   DAS  10           HA       DAS  10   2.734  10.255  -8.066
   94    HB2  DAS  10           HB2      DAS  10   4.352  12.807  -8.349
   95    HB3  DAS  10           HB1      DAS  10   4.150  12.029  -6.731
   96    H    PHE  11           HN       PHE  11   1.202  12.946  -9.249
   97    HA   PHE  11           HA       PHE  11   2.218  12.490 -11.957
   98    HB2  PHE  11           HB2      PHE  11   0.046  12.022 -12.663
   99    HB3  PHE  11           HB1      PHE  11  -0.464  12.129 -10.926
  100    HD1  PHE  11           HD1      PHE  11  -0.066  14.051 -14.044
  101    HD2  PHE  11           HD2      PHE  11  -1.348  13.926 -10.054
  102    HE1  PHE  11           HE1      PHE  11  -1.067  16.240 -14.304
  103    HE2  PHE  11           HE2      PHE  11  -2.358  16.039 -10.234
  104    HZ   PHE  11           HZ       PHE  11  -2.293  17.276 -12.406
  105    H    LEU  12           HN       LEU  12   1.202  14.448  -9.243
  106    HA   LEU  12           HA       LEU  12   0.900  16.850 -10.603
  107    HB2  LEU  12           HB2      LEU  12   1.668  16.012  -7.845
  108    HB3  LEU  12           HB1      LEU  12   1.590  17.762  -8.261
  109    HG   LEU  12           HG       LEU  12  -0.569  15.717  -8.502
  110   HD11  LEU  12          HD11      LEU  12  -1.116  17.780  -6.573
  111   HD12  LEU  12          HD12      LEU  12   0.515  17.050  -6.273
  112   HD13  LEU  12          HD13      LEU  12  -0.941  15.994  -6.357
  113   HD21  LEU  12          HD21      LEU  12  -0.738  17.528 -10.188
  114   HD22  LEU  12          HD22      LEU  12  -0.622  18.759  -8.878
  115   HD23  LEU  12          HD23      LEU  12  -2.059  17.669  -8.964
  116    H    PHE  13           HN       PHE  13   3.779  15.437  -8.992
  117    HA   PHE  13           HA       PHE  13   5.101  17.907  -9.521
  118    HB2  PHE  13           HB2      PHE  13   6.666  15.449  -8.660
  119    HB3  PHE  13           HB1      PHE  13   6.831  17.168  -8.091
  120    HD1  PHE  13           HD1      PHE  13   6.015  14.146  -7.008
  121    HD2  PHE  13           HD2      PHE  13   4.353  18.009  -7.440
  122    HE1  PHE  13           HE1      PHE  13   4.314  13.616  -5.398
  123    HE2  PHE  13           HE2      PHE  13   2.663  17.473  -5.846
  124    HZ   PHE  13           HZ       PHE  13   2.638  15.296  -4.820
  125    H    LEU  14           HN       LEU  14   3.920  15.826 -11.388
  126    HA   LEU  14           HA       LEU  14   6.254  15.498 -13.066
  127    HB2  LEU  14           HB2      LEU  14   3.744  13.782 -12.922
  128    HB3  LEU  14           HB1      LEU  14   5.154  13.478 -14.010
  129    HG   LEU  14           HG       LEU  14   5.055  13.308 -10.928
  130   HD11  LEU  14          HD11      LEU  14   6.018  11.140 -12.895
  131   HD12  LEU  14          HD12      LEU  14   4.265  11.362 -12.533
  132   HD13  LEU  14          HD13      LEU  14   5.420  10.967 -11.202
  133   HD21  LEU  14          HD21      LEU  14   7.227  14.099 -11.028
  134   HD22  LEU  14          HD22      LEU  14   7.438  13.692 -12.773
  135   HD23  LEU  14          HD23      LEU  14   7.594  12.404 -11.520
  136    H    ARG  15           HN       ARG  15   3.294  17.191 -12.728
  137    HA   ARG  15           HA       ARG  15   2.565  16.885 -15.501
  138    HB2  ARG  15           HB2      ARG  15   0.873  18.684 -14.981
  139    HB3  ARG  15           HB1      ARG  15   0.672  17.093 -14.159
  140    HG2  ARG  15           HG2      ARG  15   0.956  17.981 -12.096
  141    HG3  ARG  15           HG1      ARG  15   2.351  18.985 -12.612
  142    HD2  ARG  15           HD2      ARG  15   0.916  20.744 -12.301
  143    HD3  ARG  15           HD1      ARG  15   0.234  20.241 -13.914
  144    HE   ARG  15           HE       ARG  15  -1.023  18.677 -11.852
  145   HH11  ARG  15          HH11      ARG  15  -0.776  22.010 -13.078
  146   HH12  ARG  15          HH12      ARG  15  -2.368  22.477 -12.583
  147   HH21  ARG  15          HH21      ARG  15  -3.192  19.309 -11.177
  148   HH22  ARG  15          HH22      ARG  15  -3.765  20.914 -11.483
  149    H    LYS  16           HN       LYS  16   4.314  19.064 -13.402
  150    HA   LYS  16           HA       LYS  16   5.576  20.402 -15.380
  151    HB2  LYS  16           HB2      LYS  16   4.323  22.492 -15.715
  152    HB3  LYS  16           HB1      LYS  16   3.245  21.109 -16.124
  153    HG2  LYS  16           HG2      LYS  16   1.750  22.185 -14.817
  154    HG3  LYS  16           HG1      LYS  16   2.626  21.362 -13.486
  155    HD2  LYS  16           HD2      LYS  16   2.778  23.488 -12.626
  156    HD3  LYS  16           HD1      LYS  16   4.182  23.616 -13.742
  157    HE2  LYS  16           HE2      LYS  16   2.738  24.690 -15.476
  158    HE3  LYS  16           HE1      LYS  16   1.291  24.511 -14.398
  159    HZ1  LYS  16           HZ1      LYS  16   2.720  26.680 -14.476
  160    HZ2  LYS  16           HZ2      LYS  16   3.673  25.855 -13.338
  161    HZ3  LYS  16           HZ3      LYS  16   2.025  26.124 -13.030
  162    H    LYS  17           HN       LYS  17   3.905  20.297 -12.305
  163    HA   LYS  17           HA       LYS  17   5.216  22.378 -11.025
  164    HB2  LYS  17           HB2      LYS  17   3.989  19.738 -10.071
  165    HB3  LYS  17           HB1      LYS  17   4.664  20.959  -8.917
  166    HG2  LYS  17           HG2      LYS  17   3.077  22.679  -9.834
  167    HG3  LYS  17           HG1      LYS  17   2.400  21.446 -10.954
  168    HD2  LYS  17           HD2      LYS  17   1.691  20.060  -8.999
  169    HD3  LYS  17           HD1      LYS  17   2.385  21.279  -7.876
  170    HE2  LYS  17           HE2      LYS  17   0.766  23.001  -8.733
  171    HE3  LYS  17           HE1      LYS  17   0.069  21.773  -9.871
  172    HZ1  LYS  17           HZ1      LYS  17  -0.545  22.229  -7.188
  173    HZ2  LYS  17           HZ2      LYS  17   0.152  20.684  -7.289
  174    HZ3  LYS  17           HZ3      LYS  17  -1.194  21.073  -8.250
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1  -0.205   5.931   3.536
    2    H2   ALA   1           HT2      ALA   1  -1.881   5.655   3.536
    3    H3   ALA   1           HT3      ALA   1  -1.017   5.640   2.073
    4    HA   ALA   1           HA       ALA   1   0.330   3.789   3.285
    5    HB1  ALA   1           HB1      ALA   1  -0.971   3.957   5.418
    6    HB2  ALA   1           HB2      ALA   1  -1.235   2.344   4.654
    7    HB3  ALA   1           HB3      ALA   1  -2.495   3.628   4.509
    8    H    MET   2           HN       MET   2  -3.058   4.269   2.085
    9    HA   MET   2           HA       MET   2  -3.142   1.800   0.732
   10    HB2  MET   2           HB2      MET   2  -5.160   3.361   1.266
   11    HB3  MET   2           HB1      MET   2  -4.589   4.380  -0.108
   12    HG2  MET   2           HG2      MET   2  -6.347   2.927  -0.926
   13    HG3  MET   2           HG1      MET   2  -4.792   2.391  -1.633
   14    HE1  MET   2           HE1      MET   2  -6.580   1.658   2.024
   15    HE2  MET   2           HE2      MET   2  -7.621   0.361   1.342
   16    HE3  MET   2           HE3      MET   2  -7.650   2.008   0.623
   17    H    ARG   3           HN       ARG   3  -2.145   5.120  -0.099
   18    HA   ARG   3           HA       ARG   3  -1.057   5.974  -1.749
   19    HB2  ARG   3           HB2      ARG   3   0.593   4.026  -1.120
   20    HB3  ARG   3           HB1      ARG   3   0.021   3.310  -2.670
   21    HG2  ARG   3           HG2      ARG   3   1.733   4.562  -3.554
   22    HG3  ARG   3           HG1      ARG   3   0.463   5.837  -3.523
   23    HD2  ARG   3           HD2      ARG   3   2.467   6.838  -2.578
   24    HD3  ARG   3           HD1      ARG   3   1.367   6.493  -1.171
   25    HE   ARG   3           HE       ARG   3   3.076   4.209  -1.621
   26   HH11  ARG   3          HH11      ARG   3   3.127   7.600  -0.533
   27   HH12  ARG   3          HH12      ARG   3   4.469   7.397   0.542
   28   HH21  ARG   3          HH21      ARG   3   4.900   3.930  -0.158
   29   HH22  ARG   3          HH22      ARG   3   5.495   5.273   0.759
   30    H    ILE   4           HN       ILE   4  -3.411   6.007  -2.379
   31    HA   ILE   4           HA       ILE   4  -3.442   5.070  -5.149
   32    HB   ILE   4           HB       ILE   4  -5.929   5.264  -4.919
   33   HG12  ILE   4          HG12      ILE   4  -5.201   5.314  -1.935
   34   HG13  ILE   4          HG11      ILE   4  -5.816   6.709  -2.888
   35   HG21  ILE   4          HG21      ILE   4  -4.199   3.197  -3.431
   36   HG22  ILE   4          HG22      ILE   4  -5.026   3.035  -5.030
   37   HG23  ILE   4          HG23      ILE   4  -5.994   3.003  -3.507
   38   HD11  ILE   4          HD11      ILE   4  -7.990   5.982  -2.801
   39   HD12  ILE   4          HD12      ILE   4  -7.420   4.949  -1.436
   40   HD13  ILE   4          HD13      ILE   4  -7.538   4.261  -3.100
   41    H    SER   5           HN       SER   5  -3.491   7.556  -2.800
   42    HA   SER   5           HA       SER   5  -4.456   9.397  -4.865
   43    HB2  SER   5           HB2      SER   5  -4.720   9.714  -1.813
   44    HB3  SER   5           HB1      SER   5  -5.200  10.962  -3.031
   45    HG   SER   5           HG       SER   5  -6.375   8.852  -3.857
   46    H    ARG   6           HN       ARG   6  -1.681   8.360  -4.300
   47    HA   ARG   6           HA       ARG   6  -0.594  11.000  -3.920
   48    HB2  ARG   6           HB2      ARG   6  -0.052   9.819  -1.842
   49    HB3  ARG   6           HB1      ARG   6   0.393   8.344  -2.763
   50    HG2  ARG   6           HG2      ARG   6   2.317   9.840  -1.834
   51    HG3  ARG   6           HG1      ARG   6   2.426   9.259  -3.529
   52    HD2  ARG   6           HD2      ARG   6   3.046  11.671  -3.439
   53    HD3  ARG   6           HD1      ARG   6   1.460  11.488  -4.316
   54    HE   ARG   6           HE       ARG   6   0.365  12.547  -2.485
   55   HH11  ARG   6          HH11      ARG   6   3.757  11.772  -1.700
   56   HH12  ARG   6          HH12      ARG   6   3.790  12.705  -0.241
   57   HH21  ARG   6          HH21      ARG   6   0.416  13.811  -0.504
   58   HH22  ARG   6          HH22      ARG   6   1.859  13.882   0.450
   59    H    ILE   7           HN       ILE   7  -1.653   9.433  -6.093
   60    HA   ILE   7           HA       ILE   7   0.816   9.176  -7.599
   61    HB   ILE   7           HB       ILE   7  -1.348   7.964  -8.980
   62   HG12  ILE   7          HG12      ILE   7  -2.396   7.971  -6.649
   63   HG13  ILE   7          HG11      ILE   7  -2.295   6.379  -7.478
   64   HG21  ILE   7          HG21      ILE   7   0.115   5.845  -8.514
   65   HG22  ILE   7          HG22      ILE   7   1.197   6.941  -7.574
   66   HG23  ILE   7          HG23      ILE   7   0.927   7.233  -9.333
   67   HD11  ILE   7          HD11      ILE   7  -1.544   6.784  -4.870
   68   HD12  ILE   7          HD12      ILE   7   0.036   7.091  -5.682
   69   HD13  ILE   7          HD13      ILE   7  -0.808   5.513  -5.918
   70    H    ILE   8           HN       ILE   8  -1.880  10.877  -6.812
   71    HA   ILE   8           HA       ILE   8  -1.999  12.110  -9.430
   72    HB   ILE   8           HB       ILE   8  -4.120  12.206  -7.272
   73   HG12  ILE   8          HG12      ILE   8  -5.190  10.468  -9.088
   74   HG13  ILE   8          HG11      ILE   8  -3.444  10.055  -9.250
   75   HG21  ILE   8          HG21      ILE   8  -4.557  13.943  -8.843
   76   HG22  ILE   8          HG22      ILE   8  -5.498  12.585  -9.568
   77   HG23  ILE   8          HG23      ILE   8  -3.874  13.011 -10.227
   78   HD11  ILE   8          HD11      ILE   8  -3.438   9.943  -6.598
   79   HD12  ILE   8          HD12      ILE   8  -4.186   8.583  -7.526
   80   HD13  ILE   8          HD13      ILE   8  -5.237   9.831  -6.761
   81    H    LEU   9           HN       LEU   9  -0.168  12.247  -7.579
   82    HA   LEU   9           HA       LEU   9  -0.046  14.983  -7.029
   83    HB2  LEU   9           HB2      LEU   9  -0.296  12.897  -4.918
   84    HB3  LEU   9           HB1      LEU   9   1.164  13.934  -4.791
   85    HG   LEU   9           HG       LEU   9  -0.483  14.944  -3.391
   86   HD11  LEU   9          HD11      LEU   9   0.170  16.977  -4.149
   87   HD12  LEU   9          HD12      LEU   9  -1.198  16.953  -5.322
   88   HD13  LEU   9          HD13      LEU   9   0.422  16.331  -5.816
   89   HD21  LEU   9          HD21      LEU   9  -2.368  13.688  -5.007
   90   HD22  LEU   9          HD22      LEU   9  -2.616  15.425  -5.432
   91   HD23  LEU   9          HD23      LEU   9  -2.742  14.889  -3.711
   92    H    DAS  10           HN       DAS  10   0.792  11.659  -6.966
   93    HA   DAS  10           HA       DAS  10   2.627  10.619  -7.477
   94    HB2  DAS  10           HB2      DAS  10   4.227  13.162  -7.918
   95    HB3  DAS  10           HB1      DAS  10   3.938  12.561  -6.243
   96    H    PHE  11           HN       PHE  11   1.094  13.073  -9.048
   97    HA   PHE  11           HA       PHE  11   2.322  12.411 -11.623
   98    HB2  PHE  11           HB2      PHE  11   0.191  11.873 -12.416
   99    HB3  PHE  11           HB1      PHE  11  -0.433  12.127 -10.734
  100    HD1  PHE  11           HD1      PHE  11   0.193  13.750 -13.967
  101    HD2  PHE  11           HD2      PHE  11  -1.403  14.013 -10.077
  102    HE1  PHE  11           HE1      PHE  11  -0.769  15.897 -14.519
  103    HE2  PHE  11           HE2      PHE  11  -2.378  16.110 -10.573
  104    HZ   PHE  11           HZ       PHE  11  -2.132  17.114 -12.837
  105    H    LEU  12           HN       LEU  12   1.104  14.660  -9.164
  106    HA   LEU  12           HA       LEU  12   0.875  16.928 -10.752
  107    HB2  LEU  12           HB2      LEU  12   1.171  16.219  -7.921
  108    HB3  LEU  12           HB1      LEU  12   1.778  17.867  -8.291
  109    HG   LEU  12           HG       LEU  12  -0.338  18.200  -7.619
  110   HD11  LEU  12          HD11      LEU  12  -1.533  19.128  -9.450
  111   HD12  LEU  12          HD12      LEU  12  -1.022  17.809 -10.568
  112   HD13  LEU  12          HD13      LEU  12   0.170  19.052 -10.041
  113   HD21  LEU  12          HD21      LEU  12  -1.359  16.232  -7.190
  114   HD22  LEU  12          HD22      LEU  12  -0.852  15.498  -8.754
  115   HD23  LEU  12          HD23      LEU  12  -2.265  16.632  -8.700
  116    H    PHE  13           HN       PHE  13   3.630  15.802  -8.752
  117    HA   PHE  13           HA       PHE  13   5.061  18.121  -9.547
  118    HB2  PHE  13           HB2      PHE  13   6.526  15.774  -8.306
  119    HB3  PHE  13           HB1      PHE  13   6.660  17.545  -7.915
  120    HD1  PHE  13           HD1      PHE  13   5.648  14.587  -6.695
  121    HD2  PHE  13           HD2      PHE  13   4.263  18.511  -7.409
  122    HE1  PHE  13           HE1      PHE  13   3.833  14.239  -5.164
  123    HE2  PHE  13           HE2      PHE  13   2.464  18.169  -5.874
  124    HZ   PHE  13           HZ       PHE  13   2.227  16.032  -4.762
  125    H    LEU  14           HN       LEU  14   3.980  15.792 -11.234
  126    HA   LEU  14           HA       LEU  14   6.442  15.298 -12.683
  127    HB2  LEU  14           HB2      LEU  14   3.921  13.598 -12.512
  128    HB3  LEU  14           HB1      LEU  14   5.359  13.204 -13.531
  129    HG   LEU  14           HG       LEU  14   5.159  13.262 -10.455
  130   HD11  LEU  14          HD11      LEU  14   5.573  10.922 -10.545
  131   HD12  LEU  14          HD12      LEU  14   6.265  10.990 -12.209
  132   HD13  LEU  14          HD13      LEU  14   4.490  11.192 -11.964
  133   HD21  LEU  14          HD21      LEU  14   7.726  12.417 -10.800
  134   HD22  LEU  14          HD22      LEU  14   7.306  14.156 -10.576
  135   HD23  LEU  14          HD23      LEU  14   7.625  13.510 -12.230
  136    H    ARG  15           HN       ARG  15   3.442  16.980 -12.771
  137    HA   ARG  15           HA       ARG  15   2.952  16.380 -15.543
  138    HB2  ARG  15           HB2      ARG  15   1.221  18.195 -15.375
  139    HB3  ARG  15           HB1      ARG  15   0.961  16.724 -14.369
  140    HG2  ARG  15           HG2      ARG  15   1.084  17.880 -12.425
  141    HG3  ARG  15           HG1      ARG  15   2.515  18.822 -12.964
  142    HD2  ARG  15           HD2      ARG  15   0.966  20.548 -12.872
  143    HD3  ARG  15           HD1      ARG  15   0.637  19.964 -14.566
  144    HE   ARG  15           HE       ARG  15  -0.994  18.456 -12.741
  145   HH11  ARG  15          HH11      ARG  15  -0.549  21.741 -14.041
  146   HH12  ARG  15          HH12      ARG  15  -2.217  22.190 -13.903
  147   HH21  ARG  15          HH21      ARG  15  -3.266  19.067 -12.550
  148   HH22  ARG  15          HH22      ARG  15  -3.786  20.644 -13.040
  149    H    LYS  16           HN       LYS  16   4.528  18.790 -13.564
  150    HA   LYS  16           HA       LYS  16   5.958  19.911 -15.559
  151    HB2  LYS  16           HB2      LYS  16   4.738  21.925 -16.255
  152    HB3  LYS  16           HB1      LYS  16   3.690  20.498 -16.578
  153    HG2  LYS  16           HG2      LYS  16   2.097  21.714 -15.542
  154    HG3  LYS  16           HG1      LYS  16   2.859  21.074 -14.051
  155    HD2  LYS  16           HD2      LYS  16   2.914  23.305 -13.473
  156    HD3  LYS  16           HD1      LYS  16   4.438  23.277 -14.427
  157    HE2  LYS  16           HE2      LYS  16   3.200  24.090 -16.452
  158    HE3  LYS  16           HE1      LYS  16   1.655  24.100 -15.504
  159    HZ1  LYS  16           HZ1      LYS  16   2.575  25.727 -14.052
  160    HZ2  LYS  16           HZ2      LYS  16   2.763  26.259 -15.654
  161    HZ3  LYS  16           HZ3      LYS  16   4.097  25.647 -14.800
  162    H    LYS  17           HN       LYS  17   4.012  20.131 -12.661
  163    HA   LYS  17           HA       LYS  17   5.174  22.363 -11.503
  164    HB2  LYS  17           HB2      LYS  17   3.925  19.799 -10.365
  165    HB3  LYS  17           HB1      LYS  17   4.429  21.183  -9.316
  166    HG2  LYS  17           HG2      LYS  17   2.441  21.428 -11.656
  167    HG3  LYS  17           HG1      LYS  17   1.949  21.124  -9.953
  168    HD2  LYS  17           HD2      LYS  17   3.107  23.272  -9.278
  169    HD3  LYS  17           HD1      LYS  17   3.495  23.577 -11.007
  170    HE2  LYS  17           HE2      LYS  17   1.045  23.635 -11.556
  171    HE3  LYS  17           HE1      LYS  17   0.651  23.320  -9.814
  172    HZ1  LYS  17           HZ1      LYS  17   1.152  25.397  -9.263
  173    HZ2  LYS  17           HZ2      LYS  17   0.890  25.730 -10.907
  174    HZ3  LYS  17           HZ3      LYS  17   2.471  25.523 -10.324