*HEADER    SIGNALING PROTEIN                       12-MAR-18   6COT              
*TITLE     CSP2-D10                                                              
*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                                                      
*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 6COT    0                                                
# Restraints file 1: CSP2d10_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  )) 3.0  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 HA  )  3.0  1.0  1.0
assign (resid   2 and name HB#  ) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   2 and (name HG1 or name HG2  )) (resid   3 and name HN  )  3.2  1.1  1.1
assign (resid   2 and (name HG2 or name HG1  )) (resid   3 and name HN  )  3.1  1.1  1.1
assign (resid   2 and name HA  ) (resid   4 and name HD#  )  3.0  1.0  1.0
assign (resid   2 and name HA  ) (resid   4 and (name HG2# or name HD1#  )) 3.5  1.2  1.2
assign (resid   2 and name HB#  ) (resid   4 and name HD#  )  2.8  1.0  1.0
assign (resid   2 and name HB#  ) (resid   4 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   2 and name HB#  ) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   2 and (name HG1 or name HG2  )) (resid   4 and name HD#  )  3.2  1.1  1.1
assign (resid   2 and (name HG1 or name HG2  )) (resid   4 and (name HG2# or name HD1#  )) 2.9  1.0  1.0
assign (resid   2 and (name HG2 or name HG1  )) (resid   4 and name HD#  )  2.6  0.9  0.9
assign (resid   2 and (name HG2 or name HG1  )) (resid   4 and (name HG2# or name HD1#  )) 3.3  1.2  1.2
assign (resid   2 and name HA  ) (resid   5 and name HN  )  3.4  1.2  1.7
assign (resid   2 and name HB#  ) (resid   5 and name HA  )  3.3  1.2  1.2
assign (resid   2 and name HB#  ) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.7  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  )) 2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.8  1.0  1.0
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HD#  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HE  )  3.4  1.2  1.2
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.7  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 HE  )  3.4  1.2  1.2
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   3 and name HD#  ) (resid   3 and name HE  )  3.0  1.1  1.1
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  )  3.0  1.1  1.1
assign (resid   3 and name HE  ) (resid   3 and (name HG1 or name HG2  )) 3.4  1.2  1.2
assign (resid   3 and name HE  ) (resid   3 and (name HG2 or name HG1  )) 3.5  1.2  1.2
assign (resid   3 and (name HG1 or name HG2  )) (resid   3 and name HN  )  2.8  1.0  1.0
assign (resid   3 and (name HG2 or name HG1  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and name HA  )  3.3  1.2  1.2
assign (resid   3 and name HA  ) (resid   4 and name HB  )  2.6  0.9  2.8
assign (resid   3 and name HA  ) (resid   4 and name HD#  )  3.2  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#  )) 2.9  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   3 and name HD#  ) (resid   4 and name HD#  )  2.8  1.0  1.0
assign (resid   3 and name HD#  ) (resid   4 and name HN  )  3.1  1.1  1.1
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 HA  )  3.5  1.2  1.2
assign (resid   3 and name HN  ) (resid   4 and name HD#  )  2.8  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and (name HG11 or name HG12  )) 2.9  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and (name HG2# or name HD1#  )) 3.0  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HA  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   5 and name HN  )  3.0  1.1  1.4
assign (resid   3 and name HD#  ) (resid   5 and name HN  )  3.4  1.2  1.6
assign (resid   3 and name HN  ) (resid   5 and name HN  )  3.4  1.2  1.2
assign (resid   3 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   7 and name HN  )  3.5  1.2  1.2
assign (resid   3 and (name HB2 or name HB1  )) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   3 and (name HG2 or name HG1  )) (resid   7 and name HN  )  3.1  1.1  2.0	
assign (resid   3 and name HN  ) (resid   7 and name HN  )  3.8  1.3  1.3
assign (resid   4 and name HA  ) (resid   4 and name HB  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HG11 or name HG12  )) 2.6  0.9  0.9
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  )  3.0  1.0  1.0
assign (resid   4 and name HD#  ) (resid   4 and (name HG12 or name HG11  )) 2.3  0.8  0.8
assign (resid   4 and name HD#  ) (resid   4 and name HN  )  3.1  1.1  1.1
assign (resid   4 and (name HG11 or name HG12  )) (resid   4 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   4 and (name HG11 or name HG12  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HG12 or name HG11  )) (resid   4 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   4 and (name HG12 or name HG11  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   4 and (name HG2# or name HD1#  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   5 and name HN  )  3.0  1.0  1.0
assign (resid   4 and name HB  ) (resid   5 and name HA  )  2.9  1.0  1.8
assign (resid   4 and name HB  ) (resid   5 and name HN  )  2.6  0.9  1.0
assign (resid   4 and name HD#  ) (resid   5 and name HN  )  3.4  1.2  1.2
assign (resid   4 and (name HG11 or name HG12  )) (resid   5 and name HA  )  3.0  1.0  2.3
assign (resid   4 and (name HG11 or name HG12  )) (resid   5 and name HN  )  3.0  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   6 and name HN  )  4.4  1.5  1.5
assign (resid   4 and name HD#  ) (resid   6 and name HG#  )  2.4  0.8  2.4
assign (resid   4 and name HN  ) (resid   6 and name HN  )  3.5  1.2  1.2
assign (resid   4 and name HA  ) (resid   7 and (name HG12 or name HG11  )) 2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HD#  ) (resid   7 and name HB  )  2.5  0.9  3.8
assign (resid   4 and name HD#  ) (resid   7 and (name HG12 or name HG11  )) 2.4  0.8  1.3
assign (resid   4 and name HD#  ) (resid   7 and name HN  )  2.7  0.9  2.0
assign (resid   4 and (name HG11 or name HG12  )) (resid   7 and name HN  )  3.2  1.1  1.7
assign (resid   4 and name HN  ) (resid   7 and name HN  )  3.5  1.2  1.2
assign (resid   4 and name HA  ) (resid   8 and (name HG12 or name HG11  )) 3.3  1.2  1.2
assign (resid   4 and name HA  ) (resid   8 and name HN  )  2.9  1.0  1.2
assign (resid   4 and name HB  ) (resid   8 and name HD#  )  2.7  0.9  0.9
assign (resid   4 and (name HG11 or name HG12  )) (resid   8 and name HD#  )  2.9  1.0  1.3
assign (resid   4 and (name HG12 or name HG11  )) (resid   8 and name HD#  )  3.4  1.2  1.2
assign (resid   4 and name HN  ) (resid   8 and name HB  )  3.6  1.3  1.5
assign (resid   4 and name HN  ) (resid   8 and name HD#  )  3.4  1.2  1.2
assign (resid   5 and name HA  ) (resid   5 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   5 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   5 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.6  0.9  1.4
assign (resid   5 and name HA  ) (resid   6 and name HN  )  2.7  0.9  0.9
assign (resid   5 and name HN  ) (resid   6 and name HA  )  3.3  1.2  1.2
assign (resid   5 and name HN  ) (resid   6 and name HG#  )  3.0  1.0  1.0
assign (resid   5 and name HN  ) (resid   6 and name HN  )  2.9  1.0  1.0
assign (resid   5 and name HA  ) (resid   7 and name HB  )  2.9  1.0  3.9
assign (resid   5 and name HA  ) (resid   7 and name HN  )  3.0  1.1  1.1
assign (resid   5 and name HN  ) (resid   7 and name HA  )  2.5  0.9  2.6
assign (resid   5 and name HN  ) (resid   7 and name HD#  )  3.3  1.2  1.2
assign (resid   5 and name HN  ) (resid   7 and name HN  )  3.2  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 HD#  )  2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   8 and (name HG12 or name HG11  )) 3.0  1.0  1.0
assign (resid   5 and name HA  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   5 and name HN  ) (resid   8 and name HA  )  3.2  1.1  2.2
assign (resid   5 and name HN  ) (resid   8 and name HB  )  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   5 and name HN  ) (resid   8 and name HN  )  3.9  1.4  1.4
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HD#  )  2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HE  )  2.9  1.0  1.0
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  )  2.7  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HD#  )  2.6  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HE  )  2.4  0.8  0.8
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HG#  )  2.4  0.8  0.8
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 HE  )  3.2  1.1  1.1
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HG#  )  2.4  0.8  0.8
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#  )  2.3  0.8  0.8
assign (resid   6 and name HD#  ) (resid   6 and name HN  )  2.5  0.9  1.3
assign (resid   6 and name HE  ) (resid   6 and name HG#  )  3.4  1.2  1.2
assign (resid   6 and name HG#  ) (resid   6 and name HN  )  2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   7 and name HD#  )  3.8  1.3  1.7
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  )  2.8  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 HD#  ) (resid   7 and name HN  )  2.8  1.0  1.0
assign (resid   6 and name HG#  ) (resid   7 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   6 and name HG#  ) (resid   7 and (name HG2# or name HD1#  )) 2.3  0.8  0.8
assign (resid   6 and name HG#  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   6 and name HN  ) (resid   7 and name HA  )  2.6  0.9  1.2
assign (resid   6 and name HN  ) (resid   7 and name HN  )  2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   8 and name HB  )  2.8  1.0  1.0
assign (resid   6 and name HD#  ) (resid   8 and name HN  )  2.9  1.0  1.1
assign (resid   6 and name HG#  ) (resid   8 and name HA  )  3.1  1.1  2.8
assign (resid   6 and name HN  ) (resid   8 and name HN  )  3.4  1.2  1.2
assign (resid   6 and name HA  ) (resid   9 and name HB#  )  2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   9 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   9 and (name HD2# or name HD1#  )) 3.3  1.2  1.2
assign (resid   6 and name HA  ) (resid   9 and name HG  )  2.8  1.0  1.0
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  )  2.7  0.9  2.5
assign (resid   6 and name HD#  ) (resid   9 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   6 and name HD#  ) (resid   9 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   6 and name HD#  ) (resid   9 and name HG  )  3.0  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 HB2 or name HB1  )) (resid  10 and name HN  )  3.4  1.2  1.2
assign (resid   6 and name HG#  ) (resid  10 and name HN  )  2.8  1.0  1.0
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 HD#  )  2.6  0.9  0.9
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 HG2# or name HD1#  )) 2.4  0.8  0.8
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 HG12 or name HG11  )) 2.7  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 HG12 or name HG11  )) (resid   7 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
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  )  2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HB  ) (resid   8 and name HA  )  3.0  1.0  1.0
assign (resid   7 and name HB  ) (resid   8 and (name HG12 or name HG11  )) 2.9  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  )  2.3  0.8  0.8
assign (resid   7 and name HD#  ) (resid   8 and name HB  )  2.5  0.9  0.9
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 HG2# or name HD1#  )) (resid   8 and name HA  )  2.4  0.8  0.8
assign (resid   7 and (name HG2# or name HD1#  )) (resid   8 and name HB  )  2.4  0.8  0.8
assign (resid   7 and (name HG2# or name HD1#  )) (resid   8 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid   7 and (name HG2# or name HD1#  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HN  ) (resid   8 and name HA  )  3.0  1.1  1.1
assign (resid   7 and name HN  ) (resid   8 and name HB  )  2.9  1.0  1.0
assign (resid   7 and name HN  ) (resid   8 and name HD#  )  3.0  1.0  1.0
assign (resid   7 and name HN  ) (resid   8 and (name HG11 or name HG12  )) 2.2  0.8  0.8
assign (resid   7 and name HN  ) (resid   8 and (name HG12 or name HG11  )) 3.2  1.1  1.1
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   7 and name HA  ) (resid   9 and name HB#  )  3.0  1.0  1.0
assign (resid   7 and name HB  ) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   7 and name HN  ) (resid   9 and name HB#  )  2.7  0.9  1.8
assign (resid   7 and name HN  ) (resid   9 and name HG  )  3.0  1.0  1.0
assign (resid   7 and name HN  ) (resid   9 and name HN  )  2.9  1.0  1.0
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 HB2 or name HB1  )) 3.4  1.2  1.2
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 HA  )  3.4  1.2  1.2
assign (resid   7 and name HB  ) (resid  10 and name HN  )  3.2  1.1  1.1
assign (resid   7 and name HD#  ) (resid  10 and name HN  )  3.4  1.2  1.2
assign (resid   7 and name HN  ) (resid  10 and name HN  )  3.5  1.2  1.2
assign (resid   7 and name HA  ) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid   7 and name HD#  ) (resid  11 and name HN  )  3.3  1.2  1.4
assign (resid   7 and (name HG12 or name HG11  )) (resid  11 and name HE#  )  3.0  1.0  3.4
assign (resid   7 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.4  0.8  3.6
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#  )  2.6  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 HN  )  2.6  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 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  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid   9 and name HG  )  2.9  1.0  1.0
assign (resid   8 and name HA  ) (resid   9 and name HN  )  2.7  0.9  0.9
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 HB  ) (resid   9 and name HG  )  3.0  1.0  1.0
assign (resid   8 and name HB  ) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   8 and (name HG12 or name HG11  )) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   8 and name HN  ) (resid   9 and name HB#  )  2.4  0.8  1.2
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   8 and name HA  ) (resid  10 and name HN  )  3.1  1.1  1.1
assign (resid   8 and name HB  ) (resid  10 and name HN  )  3.0  1.1  1.4
assign (resid   8 and name HN  ) (resid  10 and name HN  )  3.2  1.1  1.1
assign (resid   8 and name HA  ) (resid  11 and name HA  )  2.8  1.0  2.7
assign (resid   8 and name HA  ) (resid  11 and name HB#  )  2.6  0.9  0.9
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  )  2.8  1.0  1.0
assign (resid   8 and (name HG12 or name HG11  )) (resid  11 and name HE#  )  3.4  1.2  1.2
assign (resid   8 and (name HG12 or name HG11  )) (resid  11 and name HN  )  3.3  1.2  1.6
assign (resid   8 and name HN  ) (resid  11 and name HE#  )  3.5  1.2  1.2
assign (resid   8 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 3.0  1.0  2.0
assign (resid   8 and (name HG12 or name HG11  )) (resid  12 and name HA  )  2.9  1.0  3.8
assign (resid   8 and name HA  ) (resid  13 and name HN  )  3.9  1.4  2.6
assign (resid   8 and name HN  ) (resid  13 and name HE#  )  2.8  1.0  3.4
assign (resid   9 and name HA  ) (resid   9 and name HB#  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HG  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and name HB#  ) (resid   9 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid   9 and name HB#  ) (resid   9 and name HG  )  2.4  0.8  0.8
assign (resid   9 and name HB#  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HD1# or name HD2#  )) (resid   9 and name HG  )  2.4  0.8  0.8
assign (resid   9 and (name HD1# or name HD2#  )) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and name HG  ) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  10 and name HA  )  3.0  1.0  1.7
assign (resid   9 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   9 and name HA  ) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid   9 and name HB#  ) (resid  10 and name HA  )  2.8  1.0  1.0
assign (resid   9 and name HB#  ) (resid  10 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   9 and name HB#  ) (resid  10 and (name HB2 or name HB1  )) 3.5  1.2  1.2
assign (resid   9 and name HB#  ) (resid  10 and name HN  )  2.6  0.9  0.9
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 HG  ) (resid  10 and name HA  )  2.6  0.9  2.4
assign (resid   9 and name HG  ) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid   9 and name HN  ) (resid  10 and name HA  )  2.8  1.0  1.0
assign (resid   9 and name HN  ) (resid  10 and (name HB2 or name HB1  )) 3.3  1.2  1.2
assign (resid   9 and name HN  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  11 and name HB#  )  3.0  1.0  2.2	
assign (resid   9 and name HA  ) (resid  11 and name HE#  )  2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid  11 and name HN  )  3.1  1.1  1.1
assign (resid   9 and name HB#  ) (resid  11 and name HE#  )  2.9  1.0  1.9
assign (resid   9 and name HB#  ) (resid  11 and name HN  )  3.1  1.1  1.1
assign (resid   9 and (name HD1# or name HD2#  )) (resid  11 and name HE#  )  2.6  0.9  0.9
assign (resid   9 and (name HD1# or name HD2#  )) (resid  11 and name HN  )  2.6  0.9  1.5
assign (resid   9 and (name HD2# or name HD1#  )) (resid  11 and name HE#  )  2.5  0.9  0.9
assign (resid   9 and name HG  ) (resid  11 and name HN  )  3.1  1.1  1.5
assign (resid   9 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   9 and name HB#  ) (resid  12 and (name HB2 or name HB1  )) 3.3  1.2  1.2
assign (resid   9 and (name HD1# or name HD2#  )) (resid  12 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   9 and (name HD2# or name HD1#  )) (resid  12 and name HA  )  2.4  0.8  2.5
assign (resid   9 and name HG  ) (resid  12 and (name HD1# or name HD2#  )) 2.3  0.8  0.9
assign (resid   9 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 3.4  1.2  1.8
assign (resid   9 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 3.0  1.1  2.2
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  )  3.1  1.1  1.1
assign (resid   9 and name HA  ) (resid  13 and name HZ  )  2.9  1.0  1.0
assign (resid   9 and name HB#  ) (resid  13 and name HE#  )  3.0  1.0  1.0
assign (resid   9 and name HB#  ) (resid  13 and name HZ  )  2.6  0.9  0.9
assign (resid   9 and name HG  ) (resid  13 and name HE#  )  3.0  1.0  1.2
assign (resid   9 and name HG  ) (resid  13 and name HZ  )  3.1  1.1  2.0
assign (resid   9 and name HA  ) (resid  14 and name HN  )  3.4  1.2  1.2
assign (resid   9 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  3.1  1.1  2.5
assign (resid   9 and (name HD2# or name HD1#  )) (resid  15 and name HD#  )  2.8  1.0  4.0
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  )  2.5  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 HE#  )  2.7  0.9  3.0
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#  )  2.8  1.0  1.2
assign (resid  10 and name HN  ) (resid  11 and name HE#  )  3.5  1.2  1.2
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 HD1# or name HD2#  )) 2.5  0.9  2.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and (name HD1# or name HD2#  )) 2.7  0.9  1.6
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and name HG  )  2.8  1.0  2.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and (name HD1# or name HD2#  )) 2.7  0.9  1.6
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and name HN  )  3.3  1.2  1.2
assign (resid  10 and name HN  ) (resid  12 and (name HD1# or name HD2#  )) 2.7  0.9  1.4
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 HA  ) (resid  13 and name HN  )  2.8  1.0  2.5
assign (resid  10 and (name HB2 or name HB1  )) (resid  13 and (name HB1 or name HB2  )) 2.7  0.9  1.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  2.9  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  13 and name HZ  )  3.5  1.2  1.2
assign (resid  10 and name HN  ) (resid  13 and name HE#  )  3.6  1.3  1.3
assign (resid  10 and name HN  ) (resid  13 and name HN  )  3.4  1.2  1.4
assign (resid  10 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.5  0.9  1.3
assign (resid  10 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.5  0.9  1.3
assign (resid  10 and name HA  ) (resid  14 and name HG  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  14 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  10 and (name HB1 or name HB2  )) (resid  14 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  14 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  14 and name HG  )  2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  14 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  10 and (name HB2 or name HB1  )) (resid  14 and name HG  )  3.0  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#  )  2.5  0.9  2.4
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#  )  2.4  0.8  1.1
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  1.0
assign (resid  11 and name HA  ) (resid  12 and (name HD2# or name HD1#  )) 3.0  1.0  2.2
assign (resid  11 and name HA  ) (resid  12 and name HG  )  2.6  0.9  2.8
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 HN  )  2.5  0.9  1.1
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  )) 2.8  1.0  1.0
assign (resid  11 and name HE#  ) (resid  12 and (name HB2 or name HB1  )) 3.1  1.1  1.1
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  )  2.7  0.9  1.2
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 HA  )  2.8  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid  11 and name HN  ) (resid  12 and (name HD2# or name HD1#  )) 2.9  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and name HG  )  3.0  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  11 and name HE#  ) (resid  13 and name HN  )  3.4  1.2  1.7
assign (resid  11 and name HN  ) (resid  13 and name HE#  )  3.5  1.2  1.2
assign (resid  11 and name HN  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HN  ) (resid  13 and name HZ  )  3.7  1.3  1.3
assign (resid  11 and name HE#  ) (resid  14 and (name HB1 or name HB2  )) 3.0  1.0  2.6
assign (resid  11 and name HE#  ) (resid  14 and name HN  )  3.3  1.2  2.5
assign (resid  11 and name HN  ) (resid  14 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid  11 and name HN  ) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid  11 and name HE#  ) (resid  15 and name HD#  )  2.8  1.0  1.8
assign (resid  11 and name HE#  ) (resid  15 and name HH*  )  2.9  1.0  1.5
assign (resid  12 and name HA  ) (resid  12 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HB2 or name HB1  )) 2.5  0.9  0.9
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  0.9
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  )  2.5  0.9  0.9
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HG  )  2.6  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.6  0.9  0.9
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  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 3.4  1.2  1.7
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#  )  3.0  1.0  1.0
assign (resid  12 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HA  )  3.0  1.0  1.3
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HE#  )  2.9  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  13 and name HZ  )  3.1  1.1  1.9
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HA  )  3.1  1.1  1.1
assign (resid  12 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HD2# or name HD1#  )) (resid  13 and name HA  )  3.2  1.1  1.1
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  )  2.6  0.9  0.9
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#  )  3.2  1.1  1.1
assign (resid  12 and name HG  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HA  )  3.0  1.0  1.4
assign (resid  12 and name HN  ) (resid  13 and (name HB2 or name HB1  )) 2.7  0.9  1.9
assign (resid  12 and name HN  ) (resid  13 and name HE#  )  3.0  1.0  1.0
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HZ  )  3.2  1.1  1.1
assign (resid  12 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.4  0.8  2.1
assign (resid  12 and name HA  ) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  12 and (name HB2 or name HB1  )) (resid  14 and name HN  )  3.1  1.1  1.2
assign (resid  12 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  2.9  1.0  1.2
assign (resid  12 and name HN  ) (resid  14 and name HN  )  3.0  1.1  1.1
assign (resid  12 and name HA  ) (resid  15 and name HD#  )  2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  15 and name HH*  )  2.8  1.0  1.0
assign (resid  12 and (name HD2# or name HD1#  )) (resid  15 and name HA  )  3.8  1.3  2.8
assign (resid  12 and (name HD2# or name HD1#  )) (resid  15 and name HD#  )  2.7  0.9  0.9
assign (resid  12 and (name HD2# or name HD1#  )) (resid  15 and name HH*  )  2.9  1.0  1.6
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  )) 2.6  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HE#  )  2.7  0.9  2.1
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HZ  )  3.1  1.1  3.0
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  1.0  1.5
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  )  2.5  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HZ  )  3.0  1.0  1.5
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  )  3.2  1.1  1.1
assign (resid  13 and name HA  ) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and (name HD1# or name HD2#  )) 2.8  1.0  1.4
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  )  2.6  0.9  0.9
assign (resid  13 and name HE#  ) (resid  14 and name HA  )  3.0  1.0  1.9
assign (resid  13 and name HE#  ) (resid  14 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid  13 and name HE#  ) (resid  14 and name HG  )  3.0  1.0  1.0
assign (resid  13 and name HE#  ) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid  13 and name HN  ) (resid  14 and name HA  )  2.8  1.0  1.2
assign (resid  13 and name HN  ) (resid  14 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  13 and name HN  ) (resid  14 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  13 and name HN  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HZ  ) (resid  14 and name HA  )  3.6  1.3  3.1
assign (resid  13 and name HZ  ) (resid  14 and (name HD1# or name HD2#  )) 2.6  0.9  1.1
assign (resid  13 and name HZ  ) (resid  14 and name HN  )  3.6  1.3  1.3
assign (resid  13 and name HA  ) (resid  15 and name HN  )  3.4  1.2  1.2
assign (resid  13 and (name HB1 or name HB2  )) (resid  15 and name HN  )  3.5  1.2  1.2
assign (resid  13 and name HE#  ) (resid  15 and (name HB1 or name HB2  )) 2.9  1.0  3.5
assign (resid  13 and name HE#  ) (resid  15 and name HN  )  5.0  1.8  1.8
assign (resid  13 and name HN  ) (resid  15 and name HH*  )  3.2  1.1  1.1
assign (resid  13 and name HN  ) (resid  15 and name HN  )  3.2  1.1  1.1
assign (resid  13 and name HZ  ) (resid  15 and name HH*  )  3.1  1.1  3.5
assign (resid  13 and name HA  ) (resid  16 and name HN  )  3.4  1.2  1.2
assign (resid  13 and name HE#  ) (resid  16 and (name HB1 or name HB2  )) 3.2  1.1  2.6
assign (resid  13 and name HE#  ) (resid  16 and name HD#  )  3.4  1.2  1.6
assign (resid  13 and name HZ  ) (resid  16 and (name HB1 or name HB2  )) 2.8  1.0  4.8
assign (resid  13 and name HE#  ) (resid  17 and name HE#  )  3.8  1.3  1.3
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 HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HG  )  2.6  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  )  2.5  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HD2# or name HD1#  )) 2.5  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 HD1# or name HD2#  )) (resid  14 and name HG  )  2.4  0.8  0.8
assign (resid  14 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  14 and (name HD2# or name HD1#  )) (resid  14 and name HG  )  2.4  0.8  0.8
assign (resid  14 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  14 and name HG  ) (resid  14 and name HN  )  2.4  0.8  1.5
assign (resid  14 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  1.9
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.6  0.9  1.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HE  )  3.5  1.2  1.5
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  14 and (name HD1# or name HD2#  )) (resid  15 and name HA  )  3.4  1.2  1.4
assign (resid  14 and (name HD2# or name HD1#  )) (resid  15 and name HA  )  3.0  1.0  1.5
assign (resid  14 and name HN  ) (resid  15 and name HA  )  3.0  1.1  1.7
assign (resid  14 and name HN  ) (resid  15 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  14 and name HN  ) (resid  15 and name HH*  )  2.9  1.0  1.2
assign (resid  14 and name HN  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  16 and name HN  )  3.9  1.4  1.4
assign (resid  14 and (name HD1# or name HD2#  )) (resid  16 and name HN  )  2.6  0.9  1.8
assign (resid  14 and name HN  ) (resid  16 and name HN  )  3.2  1.1  1.1
assign (resid  14 and (name HD1# or name HD2#  )) (resid  17 and name HE#  )  3.5  1.2  1.2
assign (resid  14 and (name HD2# or name HD1#  )) (resid  17 and name HE#  )  3.5  1.2  1.2
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  0.9
assign (resid  15 and name HA  ) (resid  15 and name HE  )  3.4  1.2  1.2
assign (resid  15 and name HA  ) (resid  15 and name HH*  )  2.5  0.9  1.3
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 HE  )  3.3  1.2  1.2
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HH*  )  2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HD#  )  2.6  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HE  )  3.2  1.1  1.1
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HH*  )  2.5  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and name HE  )  2.8  1.0  1.0
assign (resid  15 and name HD#  ) (resid  15 and name HH*  )  2.4  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  15 and name HE  ) (resid  15 and name HH*  )  2.9  1.0  1.0
assign (resid  15 and name HH*  ) (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  2.2
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  16 and name HN  )  3.0  1.0  1.0
assign (resid  15 and (name HB2 or name HB1  )) (resid  16 and name HG#  )  2.6  0.9  0.9
assign (resid  15 and name HD#  ) (resid  16 and name HN  )  3.2  1.1  1.3
assign (resid  15 and name HH*  ) (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  )) 2.2  0.8  1.3
assign (resid  15 and name HN  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  15 and (name HB1 or name HB2  )) (resid  17 and name HE#  )  3.1  1.1  1.7
assign (resid  15 and name HH*  ) (resid  17 and name HA  )  2.9  1.0  3.9
assign (resid  15 and name HH*  ) (resid  17 and name HE#  )  3.3  1.2  1.6
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  )) 2.6  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HD#  )  2.8  1.0  1.0
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  )  2.6  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HG#  )  2.6  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.7  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 HN  )  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  )  2.4  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HE#  )  3.1  1.1  1.1
assign (resid  16 and (name HB2 or name HB1  )) (resid  17 and name HE#  )  2.8  1.0  1.0
assign (resid  16 and (name HB2 or name HB1  )) (resid  17 and name HG#  )  2.7  0.9  0.9
assign (resid  16 and name HD#  ) (resid  17 and name HA  )  3.3  1.2  2.5
assign (resid  16 and name HD#  ) (resid  17 and name HE#  )  2.6  0.9  0.9
assign (resid  16 and name HG#  ) (resid  17 and name HE#  )  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 HA  )  3.6  1.3  1.3
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.8  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 3.0  1.1  1.1
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  2.8  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 HB2 or name HB1  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and name HE#  ) (resid  17 and name HN  )  3.7  1.3  1.3
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.9  1.0  1.0
# Restraints file 2: CSP2d10_hbda.tbl
!helix 1
!
assign (resid 15 and name n)(resid 14 and name hn) (resid 10 and name o)
assign (resid 15 and name n)(resid 15 and name hn) (resid 11 and name o)

# Restraints file 3: CSP2d10_hbonds.tbl
!! helix 1:
assign ( resid  10 and name O ) ( resid  14 and name HN ) 1.9 0.4 0.6
assign ( resid  10 and name O ) ( resid  14 and name N  ) 2.9 0.5 0.7

assign ( resid  11 and name O ) ( resid  15 and name HN ) 1.9 0.4 0.6
assign ( resid  11 and name O ) ( resid  15 and name N  ) 2.9 0.5 0.7

!
!



# Restraints file 4: CSP2d10_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 CG1  )    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
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  -60.0   30.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 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   GLU   1           HT1      GLU   1  10.851   3.376   3.385
    2    H2   GLU   1           HT2      GLU   1   9.453   2.610   3.978
    3    H3   GLU   1           HT3      GLU   1   9.917   4.126   4.590
    4    HA   GLU   1           HA       GLU   1   9.142   5.262   2.857
    5    HB2  GLU   1           HB2      GLU   1   8.889   4.213   0.520
    6    HB3  GLU   1           HB1      GLU   1  10.575   4.355   1.129
    7    HG2  GLU   1           HG2      GLU   1  10.504   1.928   1.856
    8    HG3  GLU   1           HG1      GLU   1   8.838   1.792   1.164
    9    H    MET   2           HN       MET   2   6.948   5.694   2.418
   10    HA   MET   2           HA       MET   2   5.180   3.383   2.515
   11    HB2  MET   2           HB2      MET   2   5.232   5.692   4.457
   12    HB3  MET   2           HB1      MET   2   3.617   5.225   3.821
   13    HG2  MET   2           HG2      MET   2   4.023   2.862   4.544
   14    HG3  MET   2           HG1      MET   2   5.615   3.345   5.212
   15    HE1  MET   2           HE1      MET   2   4.813   2.057   7.266
   16    HE2  MET   2           HE2      MET   2   3.136   1.811   6.666
   17    HE3  MET   2           HE3      MET   2   3.411   2.482   8.310
   18    H    ARG   3           HN       ARG   3   3.194   3.709   1.378
   19    HA   ARG   3           HA       ARG   3   3.272   6.098  -0.281
   20    HB2  ARG   3           HB2      ARG   3   1.821   4.732  -1.905
   21    HB3  ARG   3           HB1      ARG   3   3.534   4.214  -1.799
   22    HG2  ARG   3           HG2      ARG   3   1.271   2.915  -0.184
   23    HG3  ARG   3           HG1      ARG   3   1.770   2.351  -1.811
   24    HD2  ARG   3           HD2      ARG   3   4.222   2.524  -0.357
   25    HD3  ARG   3           HD1      ARG   3   3.032   1.831   0.826
   26    HE   ARG   3           HE       ARG   3   3.987   0.558  -1.677
   27   HH11  ARG   3          HH11      ARG   3   1.479   0.716   0.855
   28   HH12  ARG   3          HH12      ARG   3   0.938  -0.913   0.631
   29   HH21  ARG   3          HH21      ARG   3   3.247  -1.652  -1.977
   30   HH22  ARG   3          HH22      ARG   3   1.959  -2.281  -1.005
   31    H    ILE   4           HN       ILE   4   2.365   5.855   2.372
   32    HA   ILE   4           HA       ILE   4  -0.433   6.545   1.940
   33    HB   ILE   4           HB       ILE   4  -0.038   5.511   4.599
   34   HG12  ILE   4          HG12      ILE   4   1.823   4.223   3.292
   35   HG13  ILE   4          HG11      ILE   4   0.688   3.294   4.333
   36   HG21  ILE   4          HG21      ILE   4  -1.921   3.915   3.727
   37   HG22  ILE   4          HG22      ILE   4  -1.765   4.793   2.158
   38   HG23  ILE   4          HG23      ILE   4  -2.238   5.690   3.650
   39   HD11  ILE   4          HD11      ILE   4  -0.407   2.306   2.495
   40   HD12  ILE   4          HD12      ILE   4   1.266   2.484   1.842
   41   HD13  ILE   4          HD13      ILE   4  -0.009   3.676   1.386
   42    H    SER   5           HN       SER   5   2.203   7.629   1.983
   43    HA   SER   5           HA       SER   5   1.786   9.785   3.777
   44    HB2  SER   5           HB2      SER   5   4.311   8.040   4.117
   45    HB3  SER   5           HB1      SER   5   4.105   9.693   4.821
   46    HG   SER   5           HG       SER   5   2.017   8.033   5.383
   47    H    ARG   6           HN       ARG   6   1.734   9.022   1.057
   48    HA   ARG   6           HA       ARG   6   3.459  10.941   0.027
   49    HB2  ARG   6           HB2      ARG   6   5.145   9.608  -0.709
   50    HB3  ARG   6           HB1      ARG   6   4.370   8.228   0.136
   51    HG2  ARG   6           HG2      ARG   6   4.545   7.491  -2.110
   52    HG3  ARG   6           HG1      ARG   6   2.842   8.034  -1.960
   53    HD2  ARG   6           HD2      ARG   6   3.622   8.992  -4.039
   54    HD3  ARG   6           HD1      ARG   6   3.658  10.347  -2.833
   55    HE   ARG   6           HE       ARG   6   6.025  10.331  -2.908
   56   HH11  ARG   6          HH11      ARG   6   4.664   7.488  -4.576
   57   HH12  ARG   6          HH12      ARG   6   6.167   6.991  -5.277
   58   HH21  ARG   6          HH21      ARG   6   8.064   9.651  -3.860
   59   HH22  ARG   6          HH22      ARG   6   8.131   8.241  -4.864
   60    H    ILE   7           HN       ILE   7   0.974   8.415  -0.061
   61    HA   ILE   7           HA       ILE   7  -0.041   9.261  -2.630
   62    HB   ILE   7           HB       ILE   7  -0.850   7.443  -0.413
   63   HG12  ILE   7          HG12      ILE   7  -0.774   5.784  -1.989
   64   HG13  ILE   7          HG11      ILE   7  -1.064   6.936  -3.355
   65   HG21  ILE   7          HG21      ILE   7  -2.949   8.602  -0.645
   66   HG22  ILE   7          HG22      ILE   7  -3.117   7.044  -1.547
   67   HG23  ILE   7          HG23      ILE   7  -2.837   8.579  -2.452
   68   HD11  ILE   7          HD11      ILE   7   1.333   7.110  -1.505
   69   HD12  ILE   7          HD12      ILE   7   1.090   7.952  -3.084
   70   HD13  ILE   7          HD13      ILE   7   1.383   6.164  -3.054
   71    H    ILE   8           HN       ILE   8   0.371  10.248   0.251
   72    HA   ILE   8           HA       ILE   8  -2.140  11.333   0.471
   73    HB   ILE   8           HB       ILE   8   0.124  10.504   2.066
   74   HG12  ILE   8          HG12      ILE   8  -2.928  10.429   2.397
   75   HG13  ILE   8          HG11      ILE   8  -1.870   9.183   1.634
   76   HG21  ILE   8          HG21      ILE   8  -1.716  12.879   2.925
   77   HG22  ILE   8          HG22      ILE   8   0.087  12.796   2.972
   78   HG23  ILE   8          HG23      ILE   8  -0.892  11.835   4.143
   79   HD11  ILE   8          HD11      ILE   8  -1.700   8.200   3.668
   80   HD12  ILE   8          HD12      ILE   8  -2.505   9.595   4.484
   81   HD13  ILE   8          HD13      ILE   8  -0.725   9.619   4.199
   82    H    LEU   9           HN       LEU   9  -0.228  11.750  -1.367
   83    HA   LEU   9           HA       LEU   9   0.005  14.585  -1.557
   84    HB2  LEU   9           HB2      LEU   9   2.348  12.800  -2.210
   85    HB3  LEU   9           HB1      LEU   9   2.369  14.584  -1.957
   86    HG   LEU   9           HG       LEU   9   1.928  12.466   0.142
   87   HD11  LEU   9          HD11      LEU   9   4.213  12.812   0.875
   88   HD12  LEU   9          HD12      LEU   9   4.383  14.312  -0.114
   89   HD13  LEU   9          HD13      LEU   9   4.310  12.702  -0.925
   90   HD21  LEU   9          HD21      LEU   9   0.942  14.906   0.323
   91   HD22  LEU   9          HD22      LEU   9   2.607  15.328   0.850
   92   HD23  LEU   9          HD23      LEU   9   1.645  14.085   1.750
   93    H    DAS  10           HN       DAS  10   0.411  11.324  -2.479
   94    HA   DAS  10           HA       DAS  10   0.163  10.310  -4.352
   95    HB2  DAS  10           HB2      DAS  10   0.019  12.800  -5.985
   96    HB3  DAS  10           HB1      DAS  10   1.551  12.434  -5.140
   97    H    PHE  11           HN       PHE  11  -1.849  12.441  -3.007
   98    HA   PHE  11           HA       PHE  11  -3.989  11.987  -4.941
   99    HB2  PHE  11           HB2      PHE  11  -5.460  11.083  -3.316
  100    HB3  PHE  11           HB1      PHE  11  -3.879  10.420  -2.749
  101    HD1  PHE  11           HD1      PHE  11  -6.672  11.459  -1.352
  102    HD2  PHE  11           HD2      PHE  11  -2.649  12.683  -1.639
  103    HE1  PHE  11           HE1      PHE  11  -6.846  12.646   0.772
  104    HE2  PHE  11           HE2      PHE  11  -2.785  13.831   0.356
  105    HZ   PHE  11           HZ       PHE  11  -4.899  13.861   1.682
  106    H    LEU  12           HN       LEU  12  -1.920  14.078  -3.522
  107    HA   LEU  12           HA       LEU  12  -3.859  15.903  -2.443
  108    HB2  LEU  12           HB2      LEU  12  -0.866  15.814  -2.659
  109    HB3  LEU  12           HB1      LEU  12  -1.688  17.382  -2.340
  110    HG   LEU  12           HG       LEU  12  -1.811  14.860  -0.744
  111   HD11  LEU  12          HD11      LEU  12  -0.390  16.049   0.835
  112   HD12  LEU  12          HD12      LEU  12  -0.536  17.575  -0.122
  113   HD13  LEU  12          HD13      LEU  12   0.338  16.149  -0.821
  114   HD21  LEU  12          HD21      LEU  12  -3.952  15.894  -0.449
  115   HD22  LEU  12          HD22      LEU  12  -3.236  17.549  -0.413
  116   HD23  LEU  12          HD23      LEU  12  -2.978  16.423   0.976
  117    H    PHE  13           HN       PHE  13  -1.117  15.819  -4.591
  118    HA   PHE  13           HA       PHE  13  -2.081  18.384  -5.629
  119    HB2  PHE  13           HB2      PHE  13  -0.178  17.232  -7.466
  120    HB3  PHE  13           HB1      PHE  13   0.102  18.616  -6.349
  121    HD1  PHE  13           HD1      PHE  13   0.944  15.603  -7.375
  122    HD2  PHE  13           HD2      PHE  13   0.451  17.932  -3.903
  123    HE1  PHE  13           HE1      PHE  13   2.184  14.014  -6.176
  124    HE2  PHE  13           HE2      PHE  13   1.749  16.325  -2.664
  125    HZ   PHE  13           HZ       PHE  13   2.567  14.368  -3.849
  126    H    LEU  14           HN       LEU  14  -2.282  15.086  -5.696
  127    HA   LEU  14           HA       LEU  14  -2.765  14.777  -8.453
  128    HB2  LEU  14           HB2      LEU  14  -2.662  13.067  -6.038
  129    HB3  LEU  14           HB1      LEU  14  -3.815  12.491  -7.310
  130    HG   LEU  14           HG       LEU  14  -1.275  11.731  -7.367
  131   HD11  LEU  14          HD11      LEU  14  -2.353  10.903  -9.221
  132   HD12  LEU  14          HD12      LEU  14  -1.501  12.237 -10.091
  133   HD13  LEU  14          HD13      LEU  14  -3.211  12.459  -9.546
  134   HD21  LEU  14          HD21      LEU  14   0.318  13.167  -8.420
  135   HD22  LEU  14          HD22      LEU  14  -0.509  14.222  -7.213
  136   HD23  LEU  14          HD23      LEU  14  -0.946  14.337  -8.962
  137    H    ARG  15           HN       ARG  15  -4.375  16.100  -5.915
  138    HA   ARG  15           HA       ARG  15  -7.030  15.535  -6.807
  139    HB2  ARG  15           HB2      ARG  15  -5.621  16.157  -4.507
  140    HB3  ARG  15           HB1      ARG  15  -6.556  17.636  -4.863
  141    HG2  ARG  15           HG2      ARG  15  -8.578  16.653  -4.348
  142    HG3  ARG  15           HG1      ARG  15  -8.066  15.028  -4.937
  143    HD2  ARG  15           HD2      ARG  15  -8.250  15.674  -2.242
  144    HD3  ARG  15           HD1      ARG  15  -7.121  14.429  -2.935
  145    HE   ARG  15           HE       ARG  15  -5.368  15.760  -2.280
  146   HH11  ARG  15          HH11      ARG  15  -8.184  17.868  -2.791
  147   HH12  ARG  15          HH12      ARG  15  -7.301  19.345  -2.599
  148   HH21  ARG  15          HH21      ARG  15  -4.135  17.718  -2.219
  149   HH22  ARG  15          HH22      ARG  15  -4.936  19.261  -2.270
  150    H    LYS  16           HN       LYS  16  -4.677  17.976  -6.178
  151    HA   LYS  16           HA       LYS  16  -6.041  20.256  -6.897
  152    HB2  LYS  16           HB2      LYS  16  -3.131  19.427  -6.774
  153    HB3  LYS  16           HB1      LYS  16  -3.609  21.126  -7.160
  154    HG2  LYS  16           HG2      LYS  16  -4.776  21.290  -4.976
  155    HG3  LYS  16           HG1      LYS  16  -4.366  19.579  -4.619
  156    HD2  LYS  16           HD2      LYS  16  -1.947  20.114  -4.690
  157    HD3  LYS  16           HD1      LYS  16  -2.327  21.822  -5.113
  158    HE2  LYS  16           HE2      LYS  16  -3.486  22.117  -2.898
  159    HE3  LYS  16           HE1      LYS  16  -3.115  20.392  -2.481
  160    HZ1  LYS  16           HZ1      LYS  16  -1.163  21.041  -1.788
  161    HZ2  LYS  16           HZ2      LYS  16  -1.515  22.657  -2.174
  162    HZ3  LYS  16           HZ3      LYS  16  -0.758  21.655  -3.318
  163    H    LYS  17           HN       LYS  17  -3.956  18.027  -8.707
  164    HA   LYS  17           HA       LYS  17  -4.335  19.726 -11.012
  165    HB2  LYS  17           HB2      LYS  17  -2.448  17.444 -10.330
  166    HB3  LYS  17           HB1      LYS  17  -2.797  17.785 -12.061
  167    HG2  LYS  17           HG2      LYS  17  -1.181  19.363 -12.000
  168    HG3  LYS  17           HG1      LYS  17  -2.268  20.341 -10.954
  169    HD2  LYS  17           HD2      LYS  17  -0.613  18.175  -9.617
  170    HD3  LYS  17           HD1      LYS  17   0.253  19.630 -10.215
  171    HE2  LYS  17           HE2      LYS  17  -2.284  20.008  -8.538
  172    HE3  LYS  17           HE1      LYS  17  -0.736  19.572  -7.715
  173    HZ1  LYS  17           HZ1      LYS  17   0.283  21.486  -8.520
  174    HZ2  LYS  17           HZ2      LYS  17  -1.254  21.996  -8.010
  175    HZ3  LYS  17           HZ3      LYS  17  -0.931  21.799  -9.665
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1   4.829   2.058  -2.292
    2    H2   GLU   1           HT2      GLU   1   6.236   1.106  -2.281
    3    H3   GLU   1           HT3      GLU   1   5.759   1.903  -3.703
    4    HA   GLU   1           HA       GLU   1   7.250   2.855  -1.465
    5    HB2  GLU   1           HB2      GLU   1   6.746   3.789  -4.345
    6    HB3  GLU   1           HB1      GLU   1   7.855   4.655  -3.223
    7    HG2  GLU   1           HG2      GLU   1   9.310   2.653  -3.024
    8    HG3  GLU   1           HG1      GLU   1   8.165   1.685  -4.033
    9    H    MET   2           HN       MET   2   5.597   3.493   0.117
   10    HA   MET   2           HA       MET   2   4.736   6.176  -0.415
   11    HB2  MET   2           HB2      MET   2   2.367   5.518   0.630
   12    HB3  MET   2           HB1      MET   2   2.663   5.407  -1.156
   13    HG2  MET   2           HG2      MET   2   3.105   3.000  -1.039
   14    HG3  MET   2           HG1      MET   2   3.020   3.017   0.745
   15    HE1  MET   2           HE1      MET   2   1.415   1.039   0.777
   16    HE2  MET   2           HE2      MET   2   1.610   0.981  -1.008
   17    HE3  MET   2           HE3      MET   2  -0.029   0.874  -0.280
   18    H    ARG   3           HN       ARG   3   3.770   7.149   1.595
   19    HA   ARG   3           HA       ARG   3   4.958   5.824   3.855
   20    HB2  ARG   3           HB2      ARG   3   4.365   8.793   3.618
   21    HB3  ARG   3           HB1      ARG   3   5.287   7.981   4.940
   22    HG2  ARG   3           HG2      ARG   3   6.106   8.284   1.999
   23    HG3  ARG   3           HG1      ARG   3   6.887   9.043   3.434
   24    HD2  ARG   3           HD2      ARG   3   6.709   5.985   2.966
   25    HD3  ARG   3           HD1      ARG   3   8.156   7.011   2.542
   26    HE   ARG   3           HE       ARG   3   7.551   7.580   5.255
   27   HH11  ARG   3          HH11      ARG   3   8.402   4.775   3.234
   28   HH12  ARG   3          HH12      ARG   3   9.241   3.928   4.491
   29   HH21  ARG   3          HH21      ARG   3   8.690   6.430   6.967
   30   HH22  ARG   3          HH22      ARG   3   9.406   4.886   6.650
   31    H    ILE   4           HN       ILE   4   2.210   6.319   2.261
   32    HA   ILE   4           HA       ILE   4   0.047   6.201   2.807
   33    HB   ILE   4           HB       ILE   4   0.447   5.528   5.660
   34   HG12  ILE   4          HG12      ILE   4   2.451   4.530   4.788
   35   HG13  ILE   4          HG11      ILE   4   1.270   3.230   5.131
   36   HG21  ILE   4          HG21      ILE   4  -1.767   5.353   4.608
   37   HG22  ILE   4          HG22      ILE   4  -1.186   3.679   4.948
   38   HG23  ILE   4          HG23      ILE   4  -1.111   4.336   3.269
   39   HD11  ILE   4          HD11      ILE   4   2.645   3.956   2.627
   40   HD12  ILE   4          HD12      ILE   4   0.850   3.927   2.393
   41   HD13  ILE   4          HD13      ILE   4   1.701   2.462   3.019
   42    H    SER   5           HN       SER   5   1.878   8.286   3.200
   43    HA   SER   5           HA       SER   5   0.143  10.075   4.138
   44    HB2  SER   5           HB2      SER   5   2.294   9.314   6.155
   45    HB3  SER   5           HB1      SER   5   1.822  11.055   6.015
   46    HG   SER   5           HG       SER   5  -0.059   8.958   6.344
   47    H    ARG   6           HN       ARG   6   1.413   9.358   1.957
   48    HA   ARG   6           HA       ARG   6   3.020  11.618   1.463
   49    HB2  ARG   6           HB2      ARG   6   4.951  10.367   1.627
   50    HB3  ARG   6           HB1      ARG   6   4.005   8.844   1.663
   51    HG2  ARG   6           HG2      ARG   6   5.402   8.848  -0.334
   52    HG3  ARG   6           HG1      ARG   6   3.672   8.993  -0.818
   53    HD2  ARG   6           HD2      ARG   6   4.838  10.638  -2.160
   54    HD3  ARG   6           HD1      ARG   6   4.079  11.587  -0.804
   55    HE   ARG   6           HE       ARG   6   6.691  10.783   0.047
   56   HH11  ARG   6          HH11      ARG   6   5.085  12.830  -2.382
   57   HH12  ARG   6          HH12      ARG   6   6.352  14.009  -2.454
   58   HH21  ARG   6          HH21      ARG   6   8.417  12.385  -0.047
   59   HH22  ARG   6          HH22      ARG   6   8.279  13.751  -1.102
   60    H    ILE   7           HN       ILE   7   1.359   8.550   0.547
   61    HA   ILE   7           HA       ILE   7   1.097   9.671  -2.146
   62    HB   ILE   7           HB       ILE   7  -1.051   7.775  -1.601
   63   HG12  ILE   7          HG12      ILE   7   0.576   5.788  -1.379
   64   HG13  ILE   7          HG11      ILE   7   1.751   7.015  -0.760
   65   HG21  ILE   7          HG21      ILE   7   0.035   6.591  -3.554
   66   HG22  ILE   7          HG22      ILE   7   1.444   7.711  -3.429
   67   HG23  ILE   7          HG23      ILE   7  -0.188   8.356  -3.854
   68   HD11  ILE   7          HD11      ILE   7  -0.497   5.815   0.650
   69   HD12  ILE   7          HD12      ILE   7  -0.797   7.595   0.447
   70   HD13  ILE   7          HD13      ILE   7   0.712   7.016   1.249
   71    H    ILE   8           HN       ILE   8   0.149  10.243   0.839
   72    HA   ILE   8           HA       ILE   8  -2.558  10.677   0.200
   73    HB   ILE   8           HB       ILE   8  -0.890  10.580   2.651
   74   HG12  ILE   8          HG12      ILE   8  -3.473   9.175   1.764
   75   HG13  ILE   8          HG11      ILE   8  -1.811   8.572   1.476
   76   HG21  ILE   8          HG21      ILE   8  -3.327  11.020   3.809
   77   HG22  ILE   8          HG22      ILE   8  -3.629  11.946   2.292
   78   HG23  ILE   8          HG23      ILE   8  -2.258  12.406   3.373
   79   HD11  ILE   8          HD11      ILE   8  -1.878   9.113   4.256
   80   HD12  ILE   8          HD12      ILE   8  -1.948   7.493   3.459
   81   HD13  ILE   8          HD13      ILE   8  -3.474   8.358   3.894
   82    H    LEU   9           HN       LEU   9  -0.283  11.776  -0.859
   83    HA   LEU   9           HA       LEU   9  -0.824  14.581  -0.811
   84    HB2  LEU   9           HB2      LEU   9   1.997  13.491  -0.767
   85    HB3  LEU   9           HB1      LEU   9   1.474  15.188  -0.439
   86    HG   LEU   9           HG       LEU   9   0.967  12.770   1.299
   87   HD11  LEU   9          HD11      LEU   9   2.772  13.491   2.729
   88   HD12  LEU   9          HD12      LEU   9   2.824  15.132   1.983
   89   HD13  LEU   9          HD13      LEU   9   3.425  13.706   1.058
   90   HD21  LEU   9          HD21      LEU   9  -0.160  14.113   2.824
   91   HD22  LEU   9          HD22      LEU   9  -0.624  14.863   1.264
   92   HD23  LEU   9          HD23      LEU   9   0.648  15.633   2.270
   93    H    DAS  10           HN       DAS  10   0.755  11.716  -1.757
   94    HA   DAS  10           HA       DAS  10   1.392  10.995  -3.699
   95    HB2  DAS  10           HB2      DAS  10   0.945  13.575  -5.108
   96    HB3  DAS  10           HB1      DAS  10   2.208  13.518  -3.843
   97    H    PHE  11           HN       PHE  11  -1.495  12.164  -2.859
   98    HA   PHE  11           HA       PHE  11  -2.722  11.523  -5.443
   99    HB2  PHE  11           HB2      PHE  11  -4.287  10.047  -4.447
  100    HB3  PHE  11           HB1      PHE  11  -2.834   9.739  -3.421
  101    HD1  PHE  11           HD1      PHE  11  -6.117   9.872  -3.002
  102    HD2  PHE  11           HD2      PHE  11  -2.683  12.019  -1.839
  103    HE1  PHE  11           HE1      PHE  11  -7.266  10.696  -1.012
  104    HE2  PHE  11           HE2      PHE  11  -3.747  12.836   0.044
  105    HZ   PHE  11           HZ       PHE  11  -6.102  12.197   0.564
  106    H    LEU  12           HN       LEU  12  -1.890  13.855  -3.303
  107    HA   LEU  12           HA       LEU  12  -4.510  14.913  -2.805
  108    HB2  LEU  12           HB2      LEU  12  -1.703  15.679  -2.069
  109    HB3  LEU  12           HB1      LEU  12  -3.020  16.900  -1.942
  110    HG   LEU  12           HG       LEU  12  -2.821  14.236  -0.607
  111   HD11  LEU  12          HD11      LEU  12  -1.224  16.051   0.060
  112   HD12  LEU  12          HD12      LEU  12  -2.330  15.533   1.402
  113   HD13  LEU  12          HD13      LEU  12  -2.640  17.080   0.520
  114   HD21  LEU  12          HD21      LEU  12  -5.175  14.653  -0.976
  115   HD22  LEU  12          HD22      LEU  12  -5.004  16.387  -0.505
  116   HD23  LEU  12          HD23      LEU  12  -4.836  15.093   0.742
  117    H    PHE  13           HN       PHE  13  -1.385  15.894  -3.975
  118    HA   PHE  13           HA       PHE  13  -2.735  18.240  -5.094
  119    HB2  PHE  13           HB2      PHE  13  -0.127  17.939  -6.287
  120    HB3  PHE  13           HB1      PHE  13  -0.614  19.156  -5.055
  121    HD1  PHE  13           HD1      PHE  13   1.373  16.701  -5.950
  122    HD2  PHE  13           HD2      PHE  13  -0.807  18.187  -2.667
  123    HE1  PHE  13           HE1      PHE  13   2.638  15.328  -4.534
  124    HE2  PHE  13           HE2      PHE  13   0.507  16.799  -1.194
  125    HZ   PHE  13           HZ       PHE  13   2.199  15.372  -2.189
  126    H    LEU  14           HN       LEU  14  -1.891  15.066  -5.437
  127    HA   LEU  14           HA       LEU  14  -1.446  15.076  -8.216
  128    HB2  LEU  14           HB2      LEU  14  -1.535  13.099  -6.015
  129    HB3  LEU  14           HB1      LEU  14  -2.038  12.445  -7.628
  130    HG   LEU  14           HG       LEU  14   0.517  12.413  -6.910
  131   HD11  LEU  14          HD11      LEU  14   0.929  13.273  -9.529
  132   HD12  LEU  14          HD12      LEU  14  -0.840  12.903  -9.538
  133   HD13  LEU  14          HD13      LEU  14   0.348  11.628  -9.060
  134   HD21  LEU  14          HD21      LEU  14   0.419  14.956  -6.354
  135   HD22  LEU  14          HD22      LEU  14   0.477  15.229  -8.137
  136   HD23  LEU  14          HD23      LEU  14   1.832  14.370  -7.310
  137    H    ARG  15           HN       ARG  15  -4.038  15.473  -6.226
  138    HA   ARG  15           HA       ARG  15  -6.025  14.369  -7.952
  139    HB2  ARG  15           HB2      ARG  15  -5.595  15.011  -5.291
  140    HB3  ARG  15           HB1      ARG  15  -6.783  16.222  -5.848
  141    HG2  ARG  15           HG2      ARG  15  -8.482  14.681  -6.030
  142    HG3  ARG  15           HG1      ARG  15  -7.378  13.361  -6.568
  143    HD2  ARG  15           HD2      ARG  15  -8.471  13.459  -4.025
  144    HD3  ARG  15           HD1      ARG  15  -6.868  12.702  -4.425
  145    HE   ARG  15           HE       ARG  15  -5.875  14.315  -3.128
  146   HH11  ARG  15          HH11      ARG  15  -8.913  15.665  -4.385
  147   HH12  ARG  15          HH12      ARG  15  -8.619  17.266  -3.795
  148   HH21  ARG  15          HH21      ARG  15  -5.373  16.483  -2.508
  149   HH22  ARG  15          HH22      ARG  15  -6.552  17.746  -2.697
  150    H    LYS  16           HN       LYS  16  -4.787  17.240  -6.492
  151    HA   LYS  16           HA       LYS  16  -6.505  19.143  -7.488
  152    HB2  LYS  16           HB2      LYS  16  -3.641  19.118  -6.532
  153    HB3  LYS  16           HB1      LYS  16  -4.454  20.661  -6.998
  154    HG2  LYS  16           HG2      LYS  16  -6.173  20.299  -5.257
  155    HG3  LYS  16           HG1      LYS  16  -5.453  18.700  -4.854
  156    HD2  LYS  16           HD2      LYS  16  -3.341  19.775  -4.176
  157    HD3  LYS  16           HD1      LYS  16  -3.972  21.382  -4.675
  158    HE2  LYS  16           HE2      LYS  16  -5.273  19.640  -2.470
  159    HE3  LYS  16           HE1      LYS  16  -4.068  20.956  -2.148
  160    HZ1  LYS  16           HZ1      LYS  16  -5.642  22.442  -2.358
  161    HZ2  LYS  16           HZ2      LYS  16  -6.790  21.193  -2.444
  162    HZ3  LYS  16           HZ3      LYS  16  -6.141  21.851  -3.869
  163    H    LYS  17           HN       LYS  17  -3.341  17.960  -8.668
  164    HA   LYS  17           HA       LYS  17  -4.169  19.011 -11.217
  165    HB2  LYS  17           HB2      LYS  17  -1.589  19.667 -11.558
  166    HB3  LYS  17           HB1      LYS  17  -2.756  20.845 -10.871
  167    HG2  LYS  17           HG2      LYS  17  -1.368  19.019  -8.902
  168    HG3  LYS  17           HG1      LYS  17  -0.348  20.244  -9.724
  169    HD2  LYS  17           HD2      LYS  17  -1.453  22.049  -8.736
  170    HD3  LYS  17           HD1      LYS  17  -3.004  21.158  -8.565
  171    HE2  LYS  17           HE2      LYS  17  -2.277  21.246  -6.312
  172    HE3  LYS  17           HE1      LYS  17  -1.582  19.656  -6.829
  173    HZ1  LYS  17           HZ1      LYS  17   0.505  20.553  -7.006
  174    HZ2  LYS  17           HZ2      LYS  17  -0.113  21.362  -5.646
  175    HZ3  LYS  17           HZ3      LYS  17  -0.037  22.155  -7.146
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1  10.106   4.967   0.957
    2    H2   GLU   1           HT2      GLU   1   9.235   6.092   1.885
    3    H3   GLU   1           HT3      GLU   1   8.419   5.090   0.781
    4    HA   GLU   1           HA       GLU   1   9.623   3.264   2.259
    5    HB2  GLU   1           HB2      GLU   1   8.813   5.555   4.147
    6    HB3  GLU   1           HB1      GLU   1   9.319   3.910   4.669
    7    HG2  GLU   1           HG2      GLU   1  11.100   5.934   3.142
    8    HG3  GLU   1           HG1      GLU   1  11.192   5.557   4.908
    9    H    MET   2           HN       MET   2   6.911   5.661   2.545
   10    HA   MET   2           HA       MET   2   5.127   3.339   2.555
   11    HB2  MET   2           HB2      MET   2   5.295   5.565   4.544
   12    HB3  MET   2           HB1      MET   2   3.653   5.337   3.849
   13    HG2  MET   2           HG2      MET   2   3.601   3.946   5.731
   14    HG3  MET   2           HG1      MET   2   3.978   2.801   4.406
   15    HE1  MET   2           HE1      MET   2   5.883   1.041   7.149
   16    HE2  MET   2           HE2      MET   2   4.977   0.872   5.606
   17    HE3  MET   2           HE3      MET   2   4.226   1.726   7.000
   18    H    ARG   3           HN       ARG   3   3.130   3.677   1.422
   19    HA   ARG   3           HA       ARG   3   3.216   6.070  -0.238
   20    HB2  ARG   3           HB2      ARG   3   2.436   3.199  -0.851
   21    HB3  ARG   3           HB1      ARG   3   1.614   4.545  -1.725
   22    HG2  ARG   3           HG2      ARG   3   3.457   3.982  -3.114
   23    HG3  ARG   3           HG1      ARG   3   3.949   5.467  -2.222
   24    HD2  ARG   3           HD2      ARG   3   5.257   4.086  -0.591
   25    HD3  ARG   3           HD1      ARG   3   4.782   2.581  -1.488
   26    HE   ARG   3           HE       ARG   3   6.271   3.194  -3.247
   27   HH11  ARG   3          HH11      ARG   3   5.912   5.803  -0.837
   28   HH12  ARG   3          HH12      ARG   3   7.229   6.749  -1.446
   29   HH21  ARG   3          HH21      ARG   3   8.062   4.481  -4.062
   30   HH22  ARG   3          HH22      ARG   3   8.472   5.984  -3.305
   31    H    ILE   4           HN       ILE   4   2.394   5.936   2.300
   32    HA   ILE   4           HA       ILE   4  -0.432   6.549   1.985
   33    HB   ILE   4           HB       ILE   4   0.082   5.470   4.623
   34   HG12  ILE   4          HG12      ILE   4   1.847   4.185   3.255
   35   HG13  ILE   4          HG11      ILE   4   0.688   3.214   4.227
   36   HG21  ILE   4          HG21      ILE   4  -1.882   3.936   3.822
   37   HG22  ILE   4          HG22      ILE   4  -1.802   4.854   2.271
   38   HG23  ILE   4          HG23      ILE   4  -2.166   5.718   3.812
   39   HD11  ILE   4          HD11      ILE   4  -0.353   3.673   1.490
   40   HD12  ILE   4          HD12      ILE   4  -0.059   2.117   2.360
   41   HD13  ILE   4          HD13      ILE   4   1.284   2.919   1.453
   42    H    SER   5           HN       SER   5   2.214   7.677   2.009
   43    HA   SER   5           HA       SER   5   1.746   9.801   3.812
   44    HB2  SER   5           HB2      SER   5   3.968   9.758   4.977
   45    HB3  SER   5           HB1      SER   5   3.032   8.272   5.404
   46    HG   SER   5           HG       SER   5   5.103   8.572   3.484
   47    H    ARG   6           HN       ARG   6   1.763   9.043   1.076
   48    HA   ARG   6           HA       ARG   6   3.469  11.010   0.092
   49    HB2  ARG   6           HB2      ARG   6   5.186   9.709  -0.622
   50    HB3  ARG   6           HB1      ARG   6   4.416   8.308   0.196
   51    HG2  ARG   6           HG2      ARG   6   4.645   7.605  -2.059
   52    HG3  ARG   6           HG1      ARG   6   2.930   8.107  -1.921
   53    HD2  ARG   6           HD2      ARG   6   3.671   9.126  -3.968
   54    HD3  ARG   6           HD1      ARG   6   3.746  10.460  -2.740
   55    HE   ARG   6           HE       ARG   6   6.111  10.412  -2.849
   56   HH11  ARG   6          HH11      ARG   6   4.677   7.629  -4.559
   57   HH12  ARG   6          HH12      ARG   6   6.155   7.136  -5.315
   58   HH21  ARG   6          HH21      ARG   6   8.117   9.742  -3.882
   59   HH22  ARG   6          HH22      ARG   6   8.143   8.360  -4.925
   60    H    ILE   7           HN       ILE   7   1.023   8.445  -0.064
   61    HA   ILE   7           HA       ILE   7   0.049   9.297  -2.647
   62    HB   ILE   7           HB       ILE   7  -0.852   7.484  -0.442
   63   HG12  ILE   7          HG12      ILE   7  -0.672   5.793  -1.978
   64   HG13  ILE   7          HG11      ILE   7  -0.854   6.919  -3.383
   65   HG21  ILE   7          HG21      ILE   7  -2.945   8.588  -0.838
   66   HG22  ILE   7          HG22      ILE   7  -3.023   7.045  -1.773
   67   HG23  ILE   7          HG23      ILE   7  -2.689   8.597  -2.629
   68   HD11  ILE   7          HD11      ILE   7   1.556   6.147  -2.890
   69   HD12  ILE   7          HD12      ILE   7   1.397   7.125  -1.359
   70   HD13  ILE   7          HD13      ILE   7   1.269   7.935  -2.969
   71    H    ILE   8           HN       ILE   8   0.379  10.249   0.267
   72    HA   ILE   8           HA       ILE   8  -2.148  11.306   0.451
   73    HB   ILE   8           HB       ILE   8   0.103  10.505   2.084
   74   HG12  ILE   8          HG12      ILE   8  -2.954  10.343   2.341
   75   HG13  ILE   8          HG11      ILE   8  -1.848   9.136   1.586
   76   HG21  ILE   8          HG21      ILE   8  -1.020  11.784   4.148
   77   HG22  ILE   8          HG22      ILE   8  -1.812  12.828   2.911
   78   HG23  ILE   8          HG23      ILE   8  -0.011  12.772   3.028
   79   HD11  ILE   8          HD11      ILE   8  -1.684   8.131   3.609
   80   HD12  ILE   8          HD12      ILE   8  -2.566   9.482   4.421
   81   HD13  ILE   8          HD13      ILE   8  -0.779   9.578   4.190
   82    H    LEU   9           HN       LEU   9  -0.214  11.778  -1.351
   83    HA   LEU   9           HA       LEU   9  -0.021  14.616  -1.502
   84    HB2  LEU   9           HB2      LEU   9   2.362  12.877  -2.136
   85    HB3  LEU   9           HB1      LEU   9   2.350  14.659  -1.860
   86    HG   LEU   9           HG       LEU   9   1.910  12.507   0.205
   87   HD11  LEU   9          HD11      LEU   9   4.307  12.801  -0.821
   88   HD12  LEU   9          HD12      LEU   9   4.176  12.877   0.980
   89   HD13  LEU   9          HD13      LEU   9   4.339  14.395   0.021
   90   HD21  LEU   9          HD21      LEU   9   0.881  14.926   0.404
   91   HD22  LEU   9          HD22      LEU   9   2.529  15.373   0.956
   92   HD23  LEU   9          HD23      LEU   9   1.580  14.101   1.831
   93    H    DAS  10           HN       DAS  10   0.458  11.373  -2.454
   94    HA   DAS  10           HA       DAS  10   0.258  10.375  -4.341
   95    HB2  DAS  10           HB2      DAS  10   0.099  12.883  -5.945
   96    HB3  DAS  10           HB1      DAS  10   1.626  12.527  -5.085
   97    H    PHE  11           HN       PHE  11  -1.811  12.446  -3.003
   98    HA   PHE  11           HA       PHE  11  -3.912  11.988  -4.980
   99    HB2  PHE  11           HB2      PHE  11  -5.396  11.044  -3.391
  100    HB3  PHE  11           HB1      PHE  11  -3.814  10.399  -2.803
  101    HD1  PHE  11           HD1      PHE  11  -6.646  11.380  -1.444
  102    HD2  PHE  11           HD2      PHE  11  -2.639  12.668  -1.646
  103    HE1  PHE  11           HE1      PHE  11  -6.875  12.537   0.691
  104    HE2  PHE  11           HE2      PHE  11  -2.826  13.787   0.362
  105    HZ   PHE  11           HZ       PHE  11  -4.963  13.768   1.650
  106    H    LEU  12           HN       LEU  12  -1.905  14.097  -3.490
  107    HA   LEU  12           HA       LEU  12  -3.895  15.871  -2.425
  108    HB2  LEU  12           HB2      LEU  12  -0.898  15.846  -2.599
  109    HB3  LEU  12           HB1      LEU  12  -1.759  17.392  -2.266
  110    HG   LEU  12           HG       LEU  12  -1.848  14.842  -0.711
  111   HD11  LEU  12          HD11      LEU  12  -0.633  17.574  -0.041
  112   HD12  LEU  12          HD12      LEU  12   0.275  16.172  -0.743
  113   HD13  LEU  12          HD13      LEU  12  -0.473  16.041   0.905
  114   HD21  LEU  12          HD21      LEU  12  -3.073  16.324   1.021
  115   HD22  LEU  12          HD22      LEU  12  -4.015  15.850  -0.446
  116   HD23  LEU  12          HD23      LEU  12  -3.309  17.506  -0.323
  117    H    PHE  13           HN       PHE  13  -1.129  15.861  -4.538
  118    HA   PHE  13           HA       PHE  13  -2.128  18.420  -5.559
  119    HB2  PHE  13           HB2      PHE  13  -0.177  17.321  -7.378
  120    HB3  PHE  13           HB1      PHE  13   0.059  18.703  -6.250
  121    HD1  PHE  13           HD1      PHE  13   0.983  15.724  -7.290
  122    HD2  PHE  13           HD2      PHE  13   0.386  17.998  -3.797
  123    HE1  PHE  13           HE1      PHE  13   2.236  14.146  -6.092
  124    HE2  PHE  13           HE2      PHE  13   1.698  16.402  -2.558
  125    HZ   PHE  13           HZ       PHE  13   2.577  14.479  -3.754
  126    H    LEU  14           HN       LEU  14  -2.251  15.118  -5.667
  127    HA   LEU  14           HA       LEU  14  -2.686  14.831  -8.434
  128    HB2  LEU  14           HB2      LEU  14  -2.589  13.099  -6.036
  129    HB3  LEU  14           HB1      LEU  14  -3.713  12.515  -7.330
  130    HG   LEU  14           HG       LEU  14  -1.159  11.802  -7.355
  131   HD11  LEU  14          HD11      LEU  14  -3.077  12.511  -9.555
  132   HD12  LEU  14          HD12      LEU  14  -2.187  10.970  -9.234
  133   HD13  LEU  14          HD13      LEU  14  -1.356  12.333 -10.078
  134   HD21  LEU  14          HD21      LEU  14  -0.856  14.434  -8.912
  135   HD22  LEU  14          HD22      LEU  14   0.421  13.275  -8.382
  136   HD23  LEU  14          HD23      LEU  14  -0.432  14.294  -7.162
  137    H    ARG  15           HN       ARG  15  -4.362  16.065  -5.883
  138    HA   ARG  15           HA       ARG  15  -6.990  15.461  -6.812
  139    HB2  ARG  15           HB2      ARG  15  -5.622  16.130  -4.499
  140    HB3  ARG  15           HB1      ARG  15  -6.578  17.589  -4.879
  141    HG2  ARG  15           HG2      ARG  15  -8.582  16.585  -4.356
  142    HG3  ARG  15           HG1      ARG  15  -8.067  14.976  -4.982
  143    HD2  ARG  15           HD2      ARG  15  -8.270  15.539  -2.279
  144    HD3  ARG  15           HD1      ARG  15  -7.110  14.334  -2.992
  145    HE   ARG  15           HE       ARG  15  -5.395  15.678  -2.266
  146   HH11  ARG  15          HH11      ARG  15  -8.232  17.749  -2.814
  147   HH12  ARG  15          HH12      ARG  15  -7.379  19.237  -2.568
  148   HH21  ARG  15          HH21      ARG  15  -4.199  17.654  -2.135
  149   HH22  ARG  15          HH22      ARG  15  -5.024  19.184  -2.172
  150    H    LYS  16           HN       LYS  16  -4.682  17.951  -6.199
  151    HA   LYS  16           HA       LYS  16  -6.081  20.195  -6.953
  152    HB2  LYS  16           HB2      LYS  16  -3.166  19.408  -6.848
  153    HB3  LYS  16           HB1      LYS  16  -3.665  21.088  -7.284
  154    HG2  LYS  16           HG2      LYS  16  -4.819  21.307  -5.088
  155    HG3  LYS  16           HG1      LYS  16  -4.361  19.615  -4.678
  156    HD2  LYS  16           HD2      LYS  16  -1.963  20.193  -4.842
  157    HD3  LYS  16           HD1      LYS  16  -2.388  21.870  -5.330
  158    HE2  LYS  16           HE2      LYS  16  -3.481  22.250  -3.092
  159    HE3  LYS  16           HE1      LYS  16  -3.066  20.552  -2.609
  160    HZ1  LYS  16           HZ1      LYS  16  -0.759  21.812  -3.576
  161    HZ2  LYS  16           HZ2      LYS  16  -1.109  21.271  -2.004
  162    HZ3  LYS  16           HZ3      LYS  16  -1.499  22.858  -2.462
  163    H    LYS  17           HN       LYS  17  -3.857  18.065  -8.776
  164    HA   LYS  17           HA       LYS  17  -5.140  19.133 -11.120
  165    HB2  LYS  17           HB2      LYS  17  -2.717  18.996 -12.267
  166    HB3  LYS  17           HB1      LYS  17  -3.273  20.504 -11.467
  167    HG2  LYS  17           HG2      LYS  17  -1.847  18.490  -9.717
  168    HG3  LYS  17           HG1      LYS  17  -0.862  19.319 -10.967
  169    HD2  LYS  17           HD2      LYS  17  -1.117  21.426  -9.988
  170    HD3  LYS  17           HD1      LYS  17  -2.704  21.023  -9.252
  171    HE2  LYS  17           HE2      LYS  17  -1.286  21.067  -7.345
  172    HE3  LYS  17           HE1      LYS  17  -1.251  19.308  -7.774
  173    HZ1  LYS  17           HZ1      LYS  17   0.930  20.470  -7.348
  174    HZ2  LYS  17           HZ2      LYS  17   0.729  21.234  -8.851
  175    HZ3  LYS  17           HZ3      LYS  17   0.817  19.541  -8.766
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1   8.245   4.697   0.090
    2    H2   GLU   1           HT2      GLU   1   9.835   4.126  -0.084
    3    H3   GLU   1           HT3      GLU   1   9.519   5.467   0.908
    4    HA   GLU   1           HA       GLU   1   9.399   2.693   1.490
    5    HB2  GLU   1           HB2      GLU   1  10.693   4.470   2.753
    6    HB3  GLU   1           HB1      GLU   1   9.126   5.197   3.255
    7    HG2  GLU   1           HG2      GLU   1   8.523   3.097   4.491
    8    HG3  GLU   1           HG1      GLU   1  10.076   2.336   3.966
    9    H    MET   2           HN       MET   2   7.104   5.479   1.874
   10    HA   MET   2           HA       MET   2   5.011   3.465   2.202
   11    HB2  MET   2           HB2      MET   2   5.395   6.021   3.851
   12    HB3  MET   2           HB1      MET   2   3.819   5.160   3.741
   13    HG2  MET   2           HG2      MET   2   4.986   3.062   4.579
   14    HG3  MET   2           HG1      MET   2   6.459   4.047   4.852
   15    HE1  MET   2           HE1      MET   2   5.470   6.888   6.147
   16    HE2  MET   2           HE2      MET   2   6.853   5.745   6.228
   17    HE3  MET   2           HE3      MET   2   5.995   6.224   7.732
   18    H    ARG   3           HN       ARG   3   3.082   3.936   1.166
   19    HA   ARG   3           HA       ARG   3   3.079   6.468  -0.268
   20    HB2  ARG   3           HB2      ARG   3   1.653   5.195  -2.044
   21    HB3  ARG   3           HB1      ARG   3   3.432   4.950  -2.084
   22    HG2  ARG   3           HG2      ARG   3   2.883   2.744  -2.127
   23    HG3  ARG   3           HG1      ARG   3   2.719   2.950  -0.352
   24    HD2  ARG   3           HD2      ARG   3   0.298   3.223  -0.514
   25    HD3  ARG   3           HD1      ARG   3   0.373   3.291  -2.327
   26    HE   ARG   3           HE       ARG   3   1.579   0.827  -1.520
   27   HH11  ARG   3          HH11      ARG   3  -1.553   2.516  -1.375
   28   HH12  ARG   3          HH12      ARG   3  -2.509   1.072  -1.424
   29   HH21  ARG   3          HH21      ARG   3   0.282  -1.137  -1.588
   30   HH22  ARG   3          HH22      ARG   3  -1.446  -1.041  -1.547
   31    H    ILE   4           HN       ILE   4   2.226   6.141   2.227
   32    HA   ILE   4           HA       ILE   4  -0.594   6.693   1.926
   33    HB   ILE   4           HB       ILE   4  -0.519   5.439   4.364
   34   HG12  ILE   4          HG12      ILE   4   1.863   4.637   3.459
   35   HG13  ILE   4          HG11      ILE   4   0.806   3.539   4.414
   36   HG21  ILE   4          HG21      ILE   4  -1.364   4.445   1.578
   37   HG22  ILE   4          HG22      ILE   4  -2.388   5.184   2.865
   38   HG23  ILE   4          HG23      ILE   4  -1.736   3.515   3.079
   39   HD11  ILE   4          HD11      ILE   4   0.653   3.584   1.348
   40   HD12  ILE   4          HD12      ILE   4   0.181   2.266   2.489
   41   HD13  ILE   4          HD13      ILE   4   1.926   2.632   2.204
   42    H    SER   5           HN       SER   5   1.984   7.815   2.070
   43    HA   SER   5           HA       SER   5   1.657   9.715   4.116
   44    HB2  SER   5           HB2      SER   5   3.967   7.703   4.482
   45    HB3  SER   5           HB1      SER   5   3.950   9.342   5.246
   46    HG   SER   5           HG       SER   5   1.661   7.828   5.595
   47    H    ARG   6           HN       ARG   6   1.666   9.421   1.440
   48    HA   ARG   6           HA       ARG   6   3.510  11.249   0.577
   49    HB2  ARG   6           HB2      ARG   6   5.212   9.954  -0.233
   50    HB3  ARG   6           HB1      ARG   6   4.445   8.541   0.561
   51    HG2  ARG   6           HG2      ARG   6   4.646   7.892  -1.723
   52    HG3  ARG   6           HG1      ARG   6   2.919   8.368  -1.554
   53    HD2  ARG   6           HD2      ARG   6   3.801   9.356  -3.636
   54    HD3  ARG   6           HD1      ARG   6   3.567  10.698  -2.432
   55    HE   ARG   6           HE       ARG   6   6.223   9.769  -2.085
   56   HH11  ARG   6          HH11      ARG   6   4.186  11.221  -4.620
   57   HH12  ARG   6          HH12      ARG   6   5.476  12.096  -5.373
   58   HH21  ARG   6          HH21      ARG   6   7.981  10.959  -3.109
   59   HH22  ARG   6          HH22      ARG   6   7.670  11.945  -4.499
   60    H    ILE   7           HN       ILE   7   1.211   8.629   0.264
   61    HA   ILE   7           HA       ILE   7   0.252   9.456  -2.229
   62    HB   ILE   7           HB       ILE   7  -0.244   7.512  -0.156
   63   HG12  ILE   7          HG12      ILE   7   0.739   6.959  -2.216
   64   HG13  ILE   7          HG11      ILE   7  -0.900   6.172  -2.168
   65   HG21  ILE   7          HG21      ILE   7  -2.643   7.029  -0.613
   66   HG22  ILE   7          HG22      ILE   7  -2.739   8.506  -1.639
   67   HG23  ILE   7          HG23      ILE   7  -2.422   8.654   0.136
   68   HD11  ILE   7          HD11      ILE   7  -1.421   7.379  -4.056
   69   HD12  ILE   7          HD12      ILE   7   0.090   8.367  -3.876
   70   HD13  ILE   7          HD13      ILE   7  -1.405   8.830  -2.944
   71    H    ILE   8           HN       ILE   8   0.341  10.602   0.640
   72    HA   ILE   8           HA       ILE   8  -2.328  11.402   0.549
   73    HB   ILE   8           HB       ILE   8  -0.142  10.873   2.352
   74   HG12  ILE   8          HG12      ILE   8  -3.147  10.357   2.464
   75   HG13  ILE   8          HG11      ILE   8  -1.861   9.288   1.787
   76   HG21  ILE   8          HG21      ILE   8  -2.306  13.014   2.983
   77   HG22  ILE   8          HG22      ILE   8  -0.525  13.106   3.267
   78   HG23  ILE   8          HG23      ILE   8  -1.552  12.057   4.313
   79   HD11  ILE   8          HD11      ILE   8  -0.830   9.676   4.292
   80   HD12  ILE   8          HD12      ILE   8  -1.949   8.324   3.875
   81   HD13  ILE   8          HD13      ILE   8  -2.589   9.816   4.667
   82    H    LEU   9           HN       LEU   9  -0.192  11.953  -1.055
   83    HA   LEU   9           HA       LEU   9  -0.224  14.805  -1.298
   84    HB2  LEU   9           HB2      LEU   9   2.302  13.224  -1.744
   85    HB3  LEU   9           HB1      LEU   9   2.153  14.999  -1.457
   86    HG   LEU   9           HG       LEU   9   1.671  12.810   0.564
   87   HD11  LEU   9          HD11      LEU   9   3.852  13.247   1.502
   88   HD12  LEU   9          HD12      LEU   9   4.036  14.780   0.568
   89   HD13  LEU   9          HD13      LEU   9   4.121  13.192  -0.284
   90   HD21  LEU   9          HD21      LEU   9   1.165  14.399   2.162
   91   HD22  LEU   9          HD22      LEU   9   0.527  15.184   0.682
   92   HD23  LEU   9          HD23      LEU   9   2.114  15.705   1.345
   93    H    DAS  10           HN       DAS  10   0.514  11.579  -2.139
   94    HA   DAS  10           HA       DAS  10   0.513  10.541  -4.018
   95    HB2  DAS  10           HB2      DAS  10   0.283  12.994  -5.690
   96    HB3  DAS  10           HB1      DAS  10   1.762  12.791  -4.708
   97    H    PHE  11           HN       PHE  11  -1.783  12.551  -2.889
   98    HA   PHE  11           HA       PHE  11  -3.699  11.885  -4.979
   99    HB2  PHE  11           HB2      PHE  11  -5.211  10.840  -3.478
  100    HB3  PHE  11           HB1      PHE  11  -3.628  10.330  -2.769
  101    HD1  PHE  11           HD1      PHE  11  -6.622  11.122  -1.635
  102    HD2  PHE  11           HD2      PHE  11  -2.710  12.685  -1.577
  103    HE1  PHE  11           HE1      PHE  11  -7.090  12.306   0.446
  104    HE2  PHE  11           HE2      PHE  11  -3.126  13.836   0.378
  105    HZ   PHE  11           HZ       PHE  11  -5.346  13.692   1.507
  106    H    LEU  12           HN       LEU  12  -1.938  14.140  -3.406
  107    HA   LEU  12           HA       LEU  12  -4.097  15.801  -2.493
  108    HB2  LEU  12           HB2      LEU  12  -1.100  15.948  -2.474
  109    HB3  LEU  12           HB1      LEU  12  -2.061  17.452  -2.241
  110    HG   LEU  12           HG       LEU  12  -2.122  14.937  -0.628
  111   HD11  LEU  12          HD11      LEU  12  -0.068  16.373  -0.545
  112   HD12  LEU  12          HD12      LEU  12  -0.924  16.249   1.049
  113   HD13  LEU  12          HD13      LEU  12  -1.091  17.743   0.048
  114   HD21  LEU  12          HD21      LEU  12  -3.740  17.528  -0.406
  115   HD22  LEU  12          HD22      LEU  12  -3.534  16.390   0.982
  116   HD23  LEU  12          HD23      LEU  12  -4.351  15.835  -0.531
  117    H    PHE  13           HN       PHE  13  -1.200  15.934  -4.421
  118    HA   PHE  13           HA       PHE  13  -2.282  18.404  -5.562
  119    HB2  PHE  13           HB2      PHE  13  -0.151  17.393  -7.227
  120    HB3  PHE  13           HB1      PHE  13  -0.074  18.810  -6.121
  121    HD1  PHE  13           HD1      PHE  13   1.112  15.878  -7.023
  122    HD2  PHE  13           HD2      PHE  13   0.120  18.166  -3.627
  123    HE1  PHE  13           HE1      PHE  13   2.379  14.404  -5.703
  124    HE2  PHE  13           HE2      PHE  13   1.444  16.678  -2.263
  125    HZ   PHE  13           HZ       PHE  13   2.526  14.800  -3.355
  126    H    LEU  14           HN       LEU  14  -2.182  15.095  -5.608
  127    HA   LEU  14           HA       LEU  14  -2.411  14.734  -8.389
  128    HB2  LEU  14           HB2      LEU  14  -2.376  13.053  -5.954
  129    HB3  LEU  14           HB1      LEU  14  -3.367  12.376  -7.310
  130    HG   LEU  14           HG       LEU  14  -0.779  11.827  -7.141
  131   HD11  LEU  14          HD11      LEU  14  -1.595  10.898  -9.074
  132   HD12  LEU  14          HD12      LEU  14  -0.830  12.316  -9.889
  133   HD13  LEU  14          HD13      LEU  14  -2.589  12.354  -9.471
  134   HD21  LEU  14          HD21      LEU  14  -0.526  14.439  -8.741
  135   HD22  LEU  14          HD22      LEU  14   0.777  13.381  -8.077
  136   HD23  LEU  14          HD23      LEU  14  -0.234  14.373  -6.960
  137    H    ARG  15           HN       ARG  15  -4.341  15.887  -5.980
  138    HA   ARG  15           HA       ARG  15  -6.854  15.100  -7.070
  139    HB2  ARG  15           HB2      ARG  15  -5.686  15.891  -4.690
  140    HB3  ARG  15           HB1      ARG  15  -6.691  17.289  -5.160
  141    HG2  ARG  15           HG2      ARG  15  -8.671  16.184  -4.757
  142    HG3  ARG  15           HG1      ARG  15  -8.023  14.592  -5.301
  143    HD2  ARG  15           HD2      ARG  15  -8.446  15.209  -2.633
  144    HD3  ARG  15           HD1      ARG  15  -7.173  14.056  -3.233
  145    HE   ARG  15           HE       ARG  15  -5.589  15.516  -2.437
  146   HH11  ARG  15          HH11      ARG  15  -8.496  17.402  -3.231
  147   HH12  ARG  15          HH12      ARG  15  -7.753  18.942  -2.957
  148   HH21  ARG  15          HH21      ARG  15  -4.526  17.562  -2.262
  149   HH22  ARG  15          HH22      ARG  15  -5.435  19.039  -2.390
  150    H    LYS  16           HN       LYS  16  -4.794  17.762  -6.332
  151    HA   LYS  16           HA       LYS  16  -6.291  19.890  -7.226
  152    HB2  LYS  16           HB2      LYS  16  -3.365  19.301  -6.836
  153    HB3  LYS  16           HB1      LYS  16  -3.908  20.942  -7.359
  154    HG2  LYS  16           HG2      LYS  16  -5.251  21.160  -5.290
  155    HG3  LYS  16           HG1      LYS  16  -4.805  19.485  -4.808
  156    HD2  LYS  16           HD2      LYS  16  -2.425  20.101  -4.693
  157    HD3  LYS  16           HD1      LYS  16  -2.796  21.750  -5.302
  158    HE2  LYS  16           HE2      LYS  16  -3.925  20.602  -2.658
  159    HE3  LYS  16           HE1      LYS  16  -2.435  21.628  -2.770
  160    HZ1  LYS  16           HZ1      LYS  16  -4.588  22.804  -4.191
  161    HZ2  LYS  16           HZ2      LYS  16  -3.683  23.405  -2.885
  162    HZ3  LYS  16           HZ3      LYS  16  -5.059  22.453  -2.598
  163    H    LYS  17           HN       LYS  17  -3.732  17.959  -8.811
  164    HA   LYS  17           HA       LYS  17  -4.820  18.976 -11.283
  165    HB2  LYS  17           HB2      LYS  17  -2.263  18.894 -12.134
  166    HB3  LYS  17           HB1      LYS  17  -2.969  20.391 -11.440
  167    HG2  LYS  17           HG2      LYS  17  -1.734  18.490  -9.452
  168    HG3  LYS  17           HG1      LYS  17  -0.603  19.252 -10.613
  169    HD2  LYS  17           HD2      LYS  17  -1.058  21.438  -9.848
  170    HD3  LYS  17           HD1      LYS  17  -2.651  20.984  -9.154
  171    HE2  LYS  17           HE2      LYS  17  -1.656  19.976  -7.202
  172    HE3  LYS  17           HE1      LYS  17  -0.032  19.842  -7.997
  173    HZ1  LYS  17           HZ1      LYS  17   0.390  22.025  -7.669
  174    HZ2  LYS  17           HZ2      LYS  17  -0.586  21.725  -6.312
  175    HZ3  LYS  17           HZ3      LYS  17  -1.240  22.500  -7.674
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1   9.813   3.173   3.789
    2    H2   GLU   1           HT2      GLU   1  10.453   4.743   3.908
    3    H3   GLU   1           HT3      GLU   1  11.072   3.658   2.757
    4    HA   GLU   1           HA       GLU   1   9.269   5.528   2.239
    5    HB2  GLU   1           HB2      GLU   1   9.634   2.762   0.960
    6    HB3  GLU   1           HB1      GLU   1   8.667   4.071   0.191
    7    HG2  GLU   1           HG2      GLU   1  10.669   5.542   0.060
    8    HG3  GLU   1           HG1      GLU   1  11.663   4.308   0.932
    9    H    MET   2           HN       MET   2   7.067   5.924   2.364
   10    HA   MET   2           HA       MET   2   5.406   3.611   3.044
   11    HB2  MET   2           HB2      MET   2   5.744   6.200   4.546
   12    HB3  MET   2           HB1      MET   2   4.047   5.671   4.274
   13    HG2  MET   2           HG2      MET   2   4.587   3.447   5.295
   14    HG3  MET   2           HG1      MET   2   6.268   3.999   5.595
   15    HE1  MET   2           HE1      MET   2   4.569   3.688   9.111
   16    HE2  MET   2           HE2      MET   2   5.884   3.142   8.013
   17    HE3  MET   2           HE3      MET   2   4.173   2.743   7.634
   18    H    ARG   3           HN       ARG   3   3.384   3.591   2.027
   19    HA   ARG   3           HA       ARG   3   2.990   5.791   0.161
   20    HB2  ARG   3           HB2      ARG   3   2.309   2.818   0.016
   21    HB3  ARG   3           HB1      ARG   3   1.344   4.023  -0.919
   22    HG2  ARG   3           HG2      ARG   3   3.027   3.331  -2.438
   23    HG3  ARG   3           HG1      ARG   3   3.584   4.919  -1.794
   24    HD2  ARG   3           HD2      ARG   3   5.207   3.885  -0.319
   25    HD3  ARG   3           HD1      ARG   3   4.519   2.226  -0.612
   26    HE   ARG   3           HE       ARG   3   5.324   3.369  -3.140
   27   HH11  ARG   3          HH11      ARG   3   6.614   2.101  -0.071
   28   HH12  ARG   3          HH12      ARG   3   8.130   1.596  -0.739
   29   HH21  ARG   3          HH21      ARG   3   7.386   2.676  -4.049
   30   HH22  ARG   3          HH22      ARG   3   8.576   1.930  -3.035
   31    H    ILE   4           HN       ILE   4   2.597   6.153   2.648
   32    HA   ILE   4           HA       ILE   4  -0.263   6.480   2.891
   33    HB   ILE   4           HB       ILE   4   0.819   5.893   5.488
   34   HG12  ILE   4          HG12      ILE   4   2.403   4.495   4.003
   35   HG13  ILE   4          HG11      ILE   4   1.578   3.664   5.365
   36   HG21  ILE   4          HG21      ILE   4  -1.400   4.757   3.687
   37   HG22  ILE   4          HG22      ILE   4  -1.551   5.855   5.111
   38   HG23  ILE   4          HG23      ILE   4  -1.107   4.122   5.351
   39   HD11  ILE   4          HD11      ILE   4   0.620   2.162   3.927
   40   HD12  ILE   4          HD12      ILE   4   1.609   2.897   2.605
   41   HD13  ILE   4          HD13      ILE   4  -0.062   3.494   2.916
   42    H    SER   5           HN       SER   5   2.208   7.696   2.158
   43    HA   SER   5           HA       SER   5   1.985  10.085   3.541
   44    HB2  SER   5           HB2      SER   5   4.502   8.406   4.129
   45    HB3  SER   5           HB1      SER   5   4.474  10.208   4.285
   46    HG   SER   5           HG       SER   5   2.436   8.776   5.536
   47    H    ARG   6           HN       ARG   6   1.689   8.817   1.047
   48    HA   ARG   6           HA       ARG   6   3.423  10.426  -0.439
   49    HB2  ARG   6           HB2      ARG   6   4.928   8.816  -0.992
   50    HB3  ARG   6           HB1      ARG   6   4.007   7.621  -0.026
   51    HG2  ARG   6           HG2      ARG   6   4.067   6.751  -2.262
   52    HG3  ARG   6           HG1      ARG   6   2.398   7.385  -2.019
   53    HD2  ARG   6           HD2      ARG   6   2.965   8.289  -4.148
   54    HD3  ARG   6           HD1      ARG   6   3.419   9.643  -3.026
   55    HE   ARG   6           HE       ARG   6   5.713   9.214  -3.456
   56   HH11  ARG   6          HH11      ARG   6   3.631   6.660  -4.822
   57   HH12  ARG   6          HH12      ARG   6   4.887   5.926  -5.761
   58   HH21  ARG   6          HH21      ARG   6   7.417   8.213  -4.736
   59   HH22  ARG   6          HH22      ARG   6   7.075   6.824  -5.711
   60    H    ILE   7           HN       ILE   7   0.742   8.015  -0.033
   61    HA   ILE   7           HA       ILE   7  -0.138   8.847  -2.695
   62    HB   ILE   7           HB       ILE   7  -2.430   7.973  -1.177
   63   HG12  ILE   7          HG12      ILE   7  -1.569   5.537  -0.872
   64   HG13  ILE   7          HG11      ILE   7   0.076   6.291  -0.810
   65   HG21  ILE   7          HG21      ILE   7  -2.222   7.823  -3.623
   66   HG22  ILE   7          HG22      ILE   7  -2.442   6.159  -2.960
   67   HG23  ILE   7          HG23      ILE   7  -0.806   6.712  -3.484
   68   HD11  ILE   7          HD11      ILE   7  -1.683   6.142   1.373
   69   HD12  ILE   7          HD12      ILE   7  -1.998   7.808   0.723
   70   HD13  ILE   7          HD13      ILE   7  -0.330   7.330   1.206
   71    H    ILE   8           HN       ILE   8   0.341   9.968   0.258
   72    HA   ILE   8           HA       ILE   8  -2.108  11.335   0.505
   73    HB   ILE   8           HB       ILE   8   0.307  10.884   2.194
   74   HG12  ILE   8          HG12      ILE   8  -2.689  10.320   2.572
   75   HG13  ILE   8          HG11      ILE   8  -1.496   9.176   1.876
   76   HG21  ILE   8          HG21      ILE   8  -1.308  12.201   3.985
   77   HG22  ILE   8          HG22      ILE   8  -1.868  13.041   2.492
   78   HG23  ILE   8          HG23      ILE   8  -0.126  13.100   2.962
   79   HD11  ILE   8          HD11      ILE   8  -2.002   9.887   4.723
   80   HD12  ILE   8          HD12      ILE   8  -0.257   9.913   4.270
   81   HD13  ILE   8          HD13      ILE   8  -1.233   8.417   4.013
   82    H    LEU   9           HN       LEU   9  -0.303  11.491  -1.513
   83    HA   LEU   9           HA       LEU   9   0.201  14.303  -1.811
   84    HB2  LEU   9           HB2      LEU   9   2.234  12.120  -2.463
   85    HB3  LEU   9           HB1      LEU   9   2.539  13.872  -2.546
   86    HG   LEU   9           HG       LEU   9   2.010  12.198  -0.107
   87   HD11  LEU   9          HD11      LEU   9   4.345  12.283   0.392
   88   HD12  LEU   9          HD12      LEU   9   4.610  13.748  -0.627
   89   HD13  LEU   9          HD13      LEU   9   4.349  12.144  -1.409
   90   HD21  LEU   9          HD21      LEU   9   1.210  14.686  -0.150
   91   HD22  LEU   9          HD22      LEU   9   2.949  15.098   0.044
   92   HD23  LEU   9          HD23      LEU   9   2.107  14.084   1.282
   93    H    DAS  10           HN       DAS  10   0.320  11.027  -2.651
   94    HA   DAS  10           HA       DAS  10  -0.144  10.005  -4.469
   95    HB2  DAS  10           HB2      DAS  10  -0.007  12.528  -6.035
   96    HB3  DAS  10           HB1      DAS  10   1.467  11.885  -5.285
   97    H    PHE  11           HN       PHE  11  -1.959  12.157  -2.958
   98    HA   PHE  11           HA       PHE  11  -4.272  11.903  -4.755
   99    HB2  PHE  11           HB2      PHE  11  -5.606  10.924  -3.037
  100    HB3  PHE  11           HB1      PHE  11  -3.993  10.223  -2.627
  101    HD1  PHE  11           HD1      PHE  11  -6.627  11.263  -0.928
  102    HD2  PHE  11           HD2      PHE  11  -2.640  12.455  -1.595
  103    HE1  PHE  11           HE1      PHE  11  -6.607  12.514   1.166
  104    HE2  PHE  11           HE2      PHE  11  -2.586  13.663   0.354
  105    HZ   PHE  11           HZ       PHE  11  -4.579  13.736   1.872
  106    H    LEU  12           HN       LEU  12  -2.121  13.970  -3.836
  107    HA   LEU  12           HA       LEU  12  -3.862  15.751  -2.369
  108    HB2  LEU  12           HB2      LEU  12  -0.927  15.482  -2.845
  109    HB3  LEU  12           HB1      LEU  12  -1.580  17.128  -2.504
  110    HG   LEU  12           HG       LEU  12  -1.748  14.647  -0.863
  111   HD11  LEU  12          HD11      LEU  12   0.390  15.948  -1.046
  112   HD12  LEU  12          HD12      LEU  12  -0.251  15.790   0.637
  113   HD13  LEU  12          HD13      LEU  12  -0.450  17.345  -0.265
  114   HD21  LEU  12          HD21      LEU  12  -3.231  17.296  -0.658
  115   HD22  LEU  12          HD22      LEU  12  -2.857  16.347   0.838
  116   HD23  LEU  12          HD23      LEU  12  -3.862  15.615  -0.480
  117    H    PHE  13           HN       PHE  13  -1.320  15.780  -4.683
  118    HA   PHE  13           HA       PHE  13  -2.465  18.333  -5.751
  119    HB2  PHE  13           HB2      PHE  13  -0.227  17.146  -7.318
  120    HB3  PHE  13           HB1      PHE  13  -0.265  18.760  -6.500
  121    HD1  PHE  13           HD1      PHE  13   0.706  15.503  -6.570
  122    HD2  PHE  13           HD2      PHE  13   0.054  18.842  -4.099
  123    HE1  PHE  13           HE1      PHE  13   1.683  14.307  -4.786
  124    HE2  PHE  13           HE2      PHE  13   1.137  17.679  -2.280
  125    HZ   PHE  13           HZ       PHE  13   1.880  15.432  -2.688
  126    H    LEU  14           HN       LEU  14  -2.573  15.095  -5.711
  127    HA   LEU  14           HA       LEU  14  -2.794  14.721  -8.479
  128    HB2  LEU  14           HB2      LEU  14  -2.816  13.054  -6.033
  129    HB3  LEU  14           HB1      LEU  14  -3.781  12.403  -7.422
  130    HG   LEU  14           HG       LEU  14  -1.261  11.795  -7.304
  131   HD11  LEU  14          HD11      LEU  14  -2.838  12.768  -9.692
  132   HD12  LEU  14          HD12      LEU  14  -2.146  11.136  -9.344
  133   HD13  LEU  14          HD13      LEU  14  -1.077  12.460  -9.945
  134   HD21  LEU  14          HD21      LEU  14  -0.568  14.210  -6.754
  135   HD22  LEU  14          HD22      LEU  14  -0.882  14.614  -8.490
  136   HD23  LEU  14          HD23      LEU  14   0.389  13.406  -8.060
  137    H    ARG  15           HN       ARG  15  -4.432  16.694  -7.329
  138    HA   ARG  15           HA       ARG  15  -6.983  15.773  -8.125
  139    HB2  ARG  15           HB2      ARG  15  -6.140  16.399  -5.405
  140    HB3  ARG  15           HB1      ARG  15  -7.739  17.071  -5.914
  141    HG2  ARG  15           HG2      ARG  15  -8.717  15.051  -5.651
  142    HG3  ARG  15           HG1      ARG  15  -7.530  14.292  -6.778
  143    HD2  ARG  15           HD2      ARG  15  -6.955  13.147  -4.816
  144    HD3  ARG  15           HD1      ARG  15  -5.909  14.625  -4.597
  145    HE   ARG  15           HE       ARG  15  -8.466  14.064  -3.271
  146   HH11  ARG  15          HH11      ARG  15  -5.790  16.323  -3.959
  147   HH12  ARG  15          HH12      ARG  15  -6.096  17.340  -2.587
  148   HH21  ARG  15          HH21      ARG  15  -8.880  15.463  -1.396
  149   HH22  ARG  15          HH22      ARG  15  -7.872  16.841  -1.114
  150    H    LYS  16           HN       LYS  16  -5.120  18.116  -6.351
  151    HA   LYS  16           HA       LYS  16  -6.593  20.376  -7.043
  152    HB2  LYS  16           HB2      LYS  16  -3.759  19.879  -6.098
  153    HB3  LYS  16           HB1      LYS  16  -4.436  21.539  -6.284
  154    HG2  LYS  16           HG2      LYS  16  -6.207  20.989  -4.622
  155    HG3  LYS  16           HG1      LYS  16  -5.539  19.325  -4.464
  156    HD2  LYS  16           HD2      LYS  16  -3.376  20.251  -3.686
  157    HD3  LYS  16           HD1      LYS  16  -4.017  21.921  -3.862
  158    HE2  LYS  16           HE2      LYS  16  -5.758  21.446  -2.109
  159    HE3  LYS  16           HE1      LYS  16  -5.119  19.757  -1.939
  160    HZ1  LYS  16           HZ1      LYS  16  -4.294  21.973  -0.588
  161    HZ2  LYS  16           HZ2      LYS  16  -3.067  21.738  -1.738
  162    HZ3  LYS  16           HZ3      LYS  16  -3.491  20.480  -0.680
  163    H    LYS  17           HN       LYS  17  -3.752  18.713  -8.351
  164    HA   LYS  17           HA       LYS  17  -3.673  20.764 -10.395
  165    HB2  LYS  17           HB2      LYS  17  -1.595  18.917  -9.209
  166    HB3  LYS  17           HB1      LYS  17  -1.421  19.356 -10.944
  167    HG2  LYS  17           HG2      LYS  17  -0.460  21.304 -10.337
  168    HG3  LYS  17           HG1      LYS  17  -2.006  21.806  -9.571
  169    HD2  LYS  17           HD2      LYS  17   0.037  20.033  -8.114
  170    HD3  LYS  17           HD1      LYS  17   0.154  21.825  -8.108
  171    HE2  LYS  17           HE2      LYS  17  -2.543  21.416  -7.404
  172    HE3  LYS  17           HE1      LYS  17  -1.717  20.022  -6.594
  173    HZ1  LYS  17           HZ1      LYS  17  -1.159  22.924  -6.306
  174    HZ2  LYS  17           HZ2      LYS  17  -0.091  21.721  -5.762
  175    HZ3  LYS  17           HZ3      LYS  17  -1.664  21.811  -5.127
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1  10.293   4.923   2.353
    2    H2   GLU   1           HT2      GLU   1  10.282   3.583   3.398
    3    H3   GLU   1           HT3      GLU   1   9.020   4.717   3.460
    4    HA   GLU   1           HA       GLU   1   9.041   3.941   0.872
    5    HB2  GLU   1           HB2      GLU   1   9.549   1.578   2.764
    6    HB3  GLU   1           HB1      GLU   1   8.803   1.375   1.139
    7    HG2  GLU   1           HG2      GLU   1  10.832   2.254   0.025
    8    HG3  GLU   1           HG1      GLU   1  11.583   2.646   1.622
    9    H    MET   2           HN       MET   2   7.195   5.384   1.840
   10    HA   MET   2           HA       MET   2   5.022   3.535   2.491
   11    HB2  MET   2           HB2      MET   2   5.595   6.262   3.771
   12    HB3  MET   2           HB1      MET   2   3.976   5.480   3.831
   13    HG2  MET   2           HG2      MET   2   5.071   3.449   4.894
   14    HG3  MET   2           HG1      MET   2   6.604   4.377   4.981
   15    HE1  MET   2           HE1      MET   2   5.857   7.372   5.845
   16    HE2  MET   2           HE2      MET   2   7.169   6.195   6.195
   17    HE3  MET   2           HE3      MET   2   6.302   7.002   7.546
   18    H    ARG   3           HN       ARG   3   3.028   4.035   1.552
   19    HA   ARG   3           HA       ARG   3   3.080   6.326  -0.228
   20    HB2  ARG   3           HB2      ARG   3   1.698   4.973  -1.883
   21    HB3  ARG   3           HB1      ARG   3   3.402   4.437  -1.757
   22    HG2  ARG   3           HG2      ARG   3   1.122   3.129  -0.172
   23    HG3  ARG   3           HG1      ARG   3   1.595   2.599  -1.818
   24    HD2  ARG   3           HD2      ARG   3   4.055   2.424  -0.755
   25    HD3  ARG   3           HD1      ARG   3   3.143   2.361   0.813
   26    HE   ARG   3           HE       ARG   3   2.242   0.251   0.180
   27   HH11  ARG   3          HH11      ARG   3   3.997   1.798  -2.512
   28   HH12  ARG   3          HH12      ARG   3   4.027   0.381  -3.507
   29   HH21  ARG   3          HH21      ARG   3   2.284  -1.671  -1.175
   30   HH22  ARG   3          HH22      ARG   3   3.036  -1.622  -2.735
   31    H    ILE   4           HN       ILE   4   2.260   6.072   2.411
   32    HA   ILE   4           HA       ILE   4  -0.552   6.714   2.068
   33    HB   ILE   4           HB       ILE   4  -0.473   5.602   4.579
   34   HG12  ILE   4          HG12      ILE   4   1.912   4.765   3.700
   35   HG13  ILE   4          HG11      ILE   4   0.867   3.713   4.722
   36   HG21  ILE   4          HG21      ILE   4  -1.328   4.466   1.850
   37   HG22  ILE   4          HG22      ILE   4  -2.350   5.255   3.111
   38   HG23  ILE   4          HG23      ILE   4  -1.683   3.603   3.396
   39   HD11  ILE   4          HD11      ILE   4   1.958   2.656   2.597
   40   HD12  ILE   4          HD12      ILE   4   0.749   3.610   1.651
   41   HD13  ILE   4          HD13      ILE   4   0.193   2.369   2.841
   42    H    SER   5           HN       SER   5   2.083   7.808   2.199
   43    HA   SER   5           HA       SER   5   1.603   9.864   4.059
   44    HB2  SER   5           HB2      SER   5   4.015   8.006   4.576
   45    HB3  SER   5           HB1      SER   5   3.893   9.686   5.234
   46    HG   SER   5           HG       SER   5   1.687   8.084   5.667
   47    H    ARG   6           HN       ARG   6   1.634   9.350   1.383
   48    HA   ARG   6           HA       ARG   6   3.444  11.214   0.499
   49    HB2  ARG   6           HB2      ARG   6   5.201   9.956  -0.206
   50    HB3  ARG   6           HB1      ARG   6   4.470   8.559   0.654
   51    HG2  ARG   6           HG2      ARG   6   4.763   7.779  -1.557
   52    HG3  ARG   6           HG1      ARG   6   3.025   8.224  -1.474
   53    HD2  ARG   6           HD2      ARG   6   3.844   9.158  -3.572
   54    HD3  ARG   6           HD1      ARG   6   3.737  10.557  -2.420
   55    HE   ARG   6           HE       ARG   6   6.100  10.689  -2.390
   56   HH11  ARG   6          HH11      ARG   6   4.997   7.698  -3.989
   57   HH12  ARG   6          HH12      ARG   6   6.558   7.270  -4.604
   58   HH21  ARG   6          HH21      ARG   6   8.219  10.104  -3.229
   59   HH22  ARG   6          HH22      ARG   6   8.419   8.662  -4.164
   60    H    ILE   7           HN       ILE   7   1.025   8.589   0.161
   61    HA   ILE   7           HA       ILE   7   0.137   9.798  -2.344
   62    HB   ILE   7           HB       ILE   7  -1.011   7.498  -0.822
   63   HG12  ILE   7          HG12      ILE   7   1.106   6.836  -1.447
   64   HG13  ILE   7          HG11      ILE   7   0.113   6.288  -2.857
   65   HG21  ILE   7          HG21      ILE   7  -2.800   8.070  -2.158
   66   HG22  ILE   7          HG22      ILE   7  -1.854   7.229  -3.449
   67   HG23  ILE   7          HG23      ILE   7  -1.772   9.026  -3.287
   68   HD11  ILE   7          HD11      ILE   7   2.028   7.542  -3.762
   69   HD12  ILE   7          HD12      ILE   7   1.729   8.882  -2.569
   70   HD13  ILE   7          HD13      ILE   7   0.556   8.588  -3.895
   71    H    ILE   8           HN       ILE   8   0.409  10.660   0.292
   72    HA   ILE   8           HA       ILE   8  -2.250  11.363   0.505
   73    HB   ILE   8           HB       ILE   8   0.020  10.610   2.092
   74   HG12  ILE   8          HG12      ILE   8  -3.029  10.377   2.348
   75   HG13  ILE   8          HG11      ILE   8  -1.854   9.173   1.700
   76   HG21  ILE   8          HG21      ILE   8  -0.107  12.876   3.067
   77   HG22  ILE   8          HG22      ILE   8  -1.011  11.836   4.228
   78   HG23  ILE   8          HG23      ILE   8  -1.911  12.873   3.060
   79   HD11  ILE   8          HD11      ILE   8  -1.908   8.285   3.806
   80   HD12  ILE   8          HD12      ILE   8  -2.596   9.788   4.532
   81   HD13  ILE   8          HD13      ILE   8  -0.821   9.657   4.237
   82    H    LEU   9           HN       LEU   9  -0.197  11.912  -1.210
   83    HA   LEU   9           HA       LEU   9  -0.164  14.766  -1.359
   84    HB2  LEU   9           HB2      LEU   9   2.378  13.218  -1.848
   85    HB3  LEU   9           HB1      LEU   9   2.207  14.984  -1.514
   86    HG   LEU   9           HG       LEU   9   1.743  12.747   0.457
   87   HD11  LEU   9          HD11      LEU   9   4.119  14.706   0.456
   88   HD12  LEU   9          HD12      LEU   9   4.186  13.113  -0.385
   89   HD13  LEU   9          HD13      LEU   9   3.930  13.182   1.403
   90   HD21  LEU   9          HD21      LEU   9   2.214  15.607   1.316
   91   HD22  LEU   9          HD22      LEU   9   1.218  14.296   2.071
   92   HD23  LEU   9          HD23      LEU   9   0.628  15.147   0.607
   93    H    DAS  10           HN       DAS  10   0.633  11.574  -2.291
   94    HA   DAS  10           HA       DAS  10   0.645  10.607  -4.211
   95    HB2  DAS  10           HB2      DAS  10   0.343  13.116  -5.784
   96    HB3  DAS  10           HB1      DAS  10   1.842  12.897  -4.834
   97    H    PHE  11           HN       PHE  11  -1.685  12.527  -2.990
   98    HA   PHE  11           HA       PHE  11  -3.601  11.859  -5.076
   99    HB2  PHE  11           HB2      PHE  11  -5.059  10.728  -3.590
  100    HB3  PHE  11           HB1      PHE  11  -3.459  10.278  -2.877
  101    HD1  PHE  11           HD1      PHE  11  -6.541  11.116  -1.832
  102    HD2  PHE  11           HD2      PHE  11  -2.568  12.490  -1.623
  103    HE1  PHE  11           HE1      PHE  11  -7.033  12.306   0.242
  104    HE2  PHE  11           HE2      PHE  11  -3.005  13.654   0.334
  105    HZ   PHE  11           HZ       PHE  11  -5.268  13.601   1.379
  106    H    LEU  12           HN       LEU  12  -1.882  14.135  -3.434
  107    HA   LEU  12           HA       LEU  12  -4.103  15.709  -2.507
  108    HB2  LEU  12           HB2      LEU  12  -1.110  16.036  -2.473
  109    HB3  LEU  12           HB1      LEU  12  -2.190  17.435  -2.145
  110    HG   LEU  12           HG       LEU  12  -2.071  14.829  -0.684
  111   HD11  LEU  12          HD11      LEU  12  -1.121  17.635   0.106
  112   HD12  LEU  12          HD12      LEU  12  -0.070  16.320  -0.564
  113   HD13  LEU  12          HD13      LEU  12  -0.888  16.104   1.040
  114   HD21  LEU  12          HD21      LEU  12  -3.518  16.086   1.025
  115   HD22  LEU  12          HD22      LEU  12  -4.337  15.676  -0.532
  116   HD23  LEU  12          HD23      LEU  12  -3.753  17.358  -0.237
  117    H    PHE  13           HN       PHE  13  -1.202  15.959  -4.425
  118    HA   PHE  13           HA       PHE  13  -2.346  18.439  -5.485
  119    HB2  PHE  13           HB2      PHE  13  -0.199  17.535  -7.188
  120    HB3  PHE  13           HB1      PHE  13  -0.154  18.918  -6.036
  121    HD1  PHE  13           HD1      PHE  13   1.083  16.040  -7.036
  122    HD2  PHE  13           HD2      PHE  13   0.083  18.216  -3.574
  123    HE1  PHE  13           HE1      PHE  13   2.393  14.562  -5.775
  124    HE2  PHE  13           HE2      PHE  13   1.453  16.727  -2.265
  125    HZ   PHE  13           HZ       PHE  13   2.561  14.895  -3.415
  126    H    LEU  14           HN       LEU  14  -2.176  15.140  -5.633
  127    HA   LEU  14           HA       LEU  14  -2.412  14.856  -8.422
  128    HB2  LEU  14           HB2      LEU  14  -2.323  13.101  -6.040
  129    HB3  LEU  14           HB1      LEU  14  -3.310  12.447  -7.410
  130    HG   LEU  14           HG       LEU  14  -0.708  11.951  -7.273
  131   HD11  LEU  14          HD11      LEU  14  -1.529  11.055  -9.220
  132   HD12  LEU  14          HD12      LEU  14  -0.786  12.502 -10.004
  133   HD13  LEU  14          HD13      LEU  14  -2.544  12.506  -9.578
  134   HD21  LEU  14          HD21      LEU  14  -0.532  14.615  -8.796
  135   HD22  LEU  14          HD22      LEU  14   0.804  13.563  -8.188
  136   HD23  LEU  14          HD23      LEU  14  -0.210  14.497  -7.023
  137    H    ARG  15           HN       ARG  15  -4.344  15.906  -5.972
  138    HA   ARG  15           HA       ARG  15  -6.848  15.099  -7.074
  139    HB2  ARG  15           HB2      ARG  15  -5.689  15.839  -4.669
  140    HB3  ARG  15           HB1      ARG  15  -6.735  17.222  -5.093
  141    HG2  ARG  15           HG2      ARG  15  -8.679  16.053  -4.711
  142    HG3  ARG  15           HG1      ARG  15  -7.997  14.500  -5.323
  143    HD2  ARG  15           HD2      ARG  15  -8.415  14.995  -2.631
  144    HD3  ARG  15           HD1      ARG  15  -7.114  13.905  -3.284
  145    HE   ARG  15           HE       ARG  15  -5.572  15.370  -2.425
  146   HH11  ARG  15          HH11      ARG  15  -8.519  17.219  -3.158
  147   HH12  ARG  15          HH12      ARG  15  -7.808  18.764  -2.833
  148   HH21  ARG  15          HH21      ARG  15  -4.553  17.431  -2.178
  149   HH22  ARG  15          HH22      ARG  15  -5.493  18.891  -2.261
  150    H    LYS  16           HN       LYS  16  -4.809  17.768  -6.281
  151    HA   LYS  16           HA       LYS  16  -6.346  19.895  -7.102
  152    HB2  LYS  16           HB2      LYS  16  -3.387  19.360  -6.810
  153    HB3  LYS  16           HB1      LYS  16  -4.001  20.999  -7.256
  154    HG2  LYS  16           HG2      LYS  16  -5.309  21.080  -5.141
  155    HG3  LYS  16           HG1      LYS  16  -4.739  19.425  -4.722
  156    HD2  LYS  16           HD2      LYS  16  -2.392  20.203  -4.718
  157    HD3  LYS  16           HD1      LYS  16  -2.923  21.850  -5.210
  158    HE2  LYS  16           HE2      LYS  16  -4.190  22.092  -3.045
  159    HE3  LYS  16           HE1      LYS  16  -3.663  20.426  -2.558
  160    HZ1  LYS  16           HZ1      LYS  16  -2.316  22.845  -2.258
  161    HZ2  LYS  16           HZ2      LYS  16  -1.420  21.912  -3.358
  162    HZ3  LYS  16           HZ3      LYS  16  -1.806  21.284  -1.828
  163    H    LYS  17           HN       LYS  17  -3.822  18.006  -8.792
  164    HA   LYS  17           HA       LYS  17  -5.032  18.998 -11.208
  165    HB2  LYS  17           HB2      LYS  17  -2.531  19.097 -12.182
  166    HB3  LYS  17           HB1      LYS  17  -3.276  20.534 -11.407
  167    HG2  LYS  17           HG2      LYS  17  -1.805  18.630  -9.577
  168    HG3  LYS  17           HG1      LYS  17  -0.809  19.554 -10.747
  169    HD2  LYS  17           HD2      LYS  17  -1.311  21.620  -9.777
  170    HD3  LYS  17           HD1      LYS  17  -2.907  21.075  -9.160
  171    HE2  LYS  17           HE2      LYS  17  -1.648  21.207  -7.153
  172    HE3  LYS  17           HE1      LYS  17  -1.415  19.468  -7.595
  173    HZ1  LYS  17           HZ1      LYS  17   0.446  21.603  -8.480
  174    HZ2  LYS  17           HZ2      LYS  17   0.688  19.923  -8.444
  175    HZ3  LYS  17           HZ3      LYS  17   0.610  20.802  -6.993
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1   9.390   5.536   0.532
    2    H2   GLU   1           HT2      GLU   1   8.164   4.678  -0.272
    3    H3   GLU   1           HT3      GLU   1   9.786   4.201  -0.439
    4    HA   GLU   1           HA       GLU   1   9.353   2.739   1.125
    5    HB2  GLU   1           HB2      GLU   1   9.231   5.266   2.873
    6    HB3  GLU   1           HB1      GLU   1   9.567   3.604   3.474
    7    HG2  GLU   1           HG2      GLU   1  11.661   3.518   2.072
    8    HG3  GLU   1           HG1      GLU   1  11.334   5.201   1.495
    9    H    MET   2           HN       MET   2   7.116   5.556   1.669
   10    HA   MET   2           HA       MET   2   5.036   3.547   2.133
   11    HB2  MET   2           HB2      MET   2   5.469   6.167   3.671
   12    HB3  MET   2           HB1      MET   2   3.922   5.251   3.692
   13    HG2  MET   2           HG2      MET   2   5.041   3.285   4.663
   14    HG3  MET   2           HG1      MET   2   6.638   4.093   4.548
   15    HE1  MET   2           HE1      MET   2   3.118   4.777   7.425
   16    HE2  MET   2           HE2      MET   2   3.234   3.782   5.933
   17    HE3  MET   2           HE3      MET   2   2.992   5.558   5.812
   18    H    ARG   3           HN       ARG   3   3.051   3.996   1.203
   19    HA   ARG   3           HA       ARG   3   2.953   6.493  -0.285
   20    HB2  ARG   3           HB2      ARG   3   1.491   5.153  -1.986
   21    HB3  ARG   3           HB1      ARG   3   3.272   4.962  -2.091
   22    HG2  ARG   3           HG2      ARG   3   2.785   2.739  -2.080
   23    HG3  ARG   3           HG1      ARG   3   2.691   2.971  -0.302
   24    HD2  ARG   3           HD2      ARG   3   0.247   3.210  -0.388
   25    HD3  ARG   3           HD1      ARG   3   0.265   3.172  -2.203
   26    HE   ARG   3           HE       ARG   3   1.563   0.794  -1.298
   27   HH11  ARG   3          HH11      ARG   3  -1.605   2.407  -1.136
   28   HH12  ARG   3          HH12      ARG   3  -2.523   0.941  -1.060
   29   HH21  ARG   3          HH21      ARG   3   0.319  -1.205  -1.197
   30   HH22  ARG   3          HH22      ARG   3  -1.409  -1.150  -1.096
   31    H    ILE   4           HN       ILE   4   2.187   6.181   2.249
   32    HA   ILE   4           HA       ILE   4  -0.647   6.679   2.026
   33    HB   ILE   4           HB       ILE   4  -0.530   5.410   4.440
   34   HG12  ILE   4          HG12      ILE   4   1.883   4.692   3.525
   35   HG13  ILE   4          HG11      ILE   4   0.871   3.570   4.504
   36   HG21  ILE   4          HG21      ILE   4  -1.686   3.451   3.167
   37   HG22  ILE   4          HG22      ILE   4  -1.325   4.368   1.654
   38   HG23  ILE   4          HG23      ILE   4  -2.381   5.098   2.922
   39   HD11  ILE   4          HD11      ILE   4   1.998   2.649   2.319
   40   HD12  ILE   4          HD12      ILE   4   0.726   3.576   1.435
   41   HD13  ILE   4          HD13      ILE   4   0.256   2.266   2.585
   42    H    SER   5           HN       SER   5   1.930   7.839   2.140
   43    HA   SER   5           HA       SER   5   1.603   9.713   4.195
   44    HB2  SER   5           HB2      SER   5   2.656   7.804   5.627
   45    HB3  SER   5           HB1      SER   5   4.105   7.947   4.555
   46    HG   SER   5           HG       SER   5   4.256  10.113   5.184
   47    H    ARG   6           HN       ARG   6   1.621   9.502   1.548
   48    HA   ARG   6           HA       ARG   6   3.447  11.333   0.720
   49    HB2  ARG   6           HB2      ARG   6   5.194  10.107  -0.124
   50    HB3  ARG   6           HB1      ARG   6   4.500   8.676   0.709
   51    HG2  ARG   6           HG2      ARG   6   4.687   7.976  -1.555
   52    HG3  ARG   6           HG1      ARG   6   2.950   8.419  -1.397
   53    HD2  ARG   6           HD2      ARG   6   3.721   9.418  -3.482
   54    HD3  ARG   6           HD1      ARG   6   3.618  10.775  -2.283
   55    HE   ARG   6           HE       ARG   6   5.982  10.942  -2.294
   56   HH11  ARG   6          HH11      ARG   6   4.883   8.006  -3.995
   57   HH12  ARG   6          HH12      ARG   6   6.436   7.629  -4.663
   58   HH21  ARG   6          HH21      ARG   6   8.087  10.427  -3.205
   59   HH22  ARG   6          HH22      ARG   6   8.287   9.028  -4.206
   60    H    ILE   7           HN       ILE   7   1.206   8.675   0.360
   61    HA   ILE   7           HA       ILE   7   0.286   9.477  -2.153
   62    HB   ILE   7           HB       ILE   7  -0.222   7.537  -0.083
   63   HG12  ILE   7          HG12      ILE   7   0.807   6.998  -2.123
   64   HG13  ILE   7          HG11      ILE   7  -0.817   6.179  -2.096
   65   HG21  ILE   7          HG21      ILE   7  -2.604   7.017  -0.580
   66   HG22  ILE   7          HG22      ILE   7  -2.704   8.488  -1.614
   67   HG23  ILE   7          HG23      ILE   7  -2.422   8.649   0.165
   68   HD11  ILE   7          HD11      ILE   7  -1.358   8.826  -2.894
   69   HD12  ILE   7          HD12      ILE   7  -1.328   7.361  -4.001
   70   HD13  ILE   7          HD13      ILE   7   0.153   8.387  -3.799
   71    H    ILE   8           HN       ILE   8   0.293  10.624   0.719
   72    HA   ILE   8           HA       ILE   8  -2.382  11.390   0.570
   73    HB   ILE   8           HB       ILE   8  -0.219  10.909   2.417
   74   HG12  ILE   8          HG12      ILE   8  -3.213  10.330   2.487
   75   HG13  ILE   8          HG11      ILE   8  -1.898   9.289   1.820
   76   HG21  ILE   8          HG21      ILE   8  -2.437  13.008   2.992
   77   HG22  ILE   8          HG22      ILE   8  -0.667  13.135   3.320
   78   HG23  ILE   8          HG23      ILE   8  -1.700  12.070   4.345
   79   HD11  ILE   8          HD11      ILE   8  -0.889   9.666   4.326
   80   HD12  ILE   8          HD12      ILE   8  -2.013   8.318   3.911
   81   HD13  ILE   8          HD13      ILE   8  -2.648   9.813   4.702
   82    H    LEU   9           HN       LEU   9  -0.228  11.969  -1.000
   83    HA   LEU   9           HA       LEU   9  -0.292  14.817  -1.255
   84    HB2  LEU   9           HB2      LEU   9   2.266  13.275  -1.638
   85    HB3  LEU   9           HB1      LEU   9   2.084  15.049  -1.363
   86    HG   LEU   9           HG       LEU   9   1.593  12.862   0.658
   87   HD11  LEU   9          HD11      LEU   9   4.054  13.283  -0.148
   88   HD12  LEU   9          HD12      LEU   9   3.750  13.333   1.633
   89   HD13  LEU   9          HD13      LEU   9   3.927  14.869   0.702
   90   HD21  LEU   9          HD21      LEU   9   0.408  15.214   0.744
   91   HD22  LEU   9          HD22      LEU   9   1.975  15.771   1.426
   92   HD23  LEU   9          HD23      LEU   9   1.038  14.453   2.239
   93    H    DAS  10           HN       DAS  10   0.512  11.599  -2.066
   94    HA   DAS  10           HA       DAS  10   0.561  10.553  -3.938
   95    HB2  DAS  10           HB2      DAS  10   0.348  13.009  -5.614
   96    HB3  DAS  10           HB1      DAS  10   1.815  12.791  -4.616
   97    H    PHE  11           HN       PHE  11  -1.782  12.532  -2.866
   98    HA   PHE  11           HA       PHE  11  -3.646  11.832  -4.994
   99    HB2  PHE  11           HB2      PHE  11  -5.172  10.774  -3.519
  100    HB3  PHE  11           HB1      PHE  11  -3.597  10.291  -2.776
  101    HD1  PHE  11           HD1      PHE  11  -6.623  11.038  -1.706
  102    HD2  PHE  11           HD2      PHE  11  -2.739  12.667  -1.579
  103    HE1  PHE  11           HE1      PHE  11  -7.149  12.220   0.364
  104    HE2  PHE  11           HE2      PHE  11  -3.211  13.816   0.365
  105    HZ   PHE  11           HZ       PHE  11  -5.449  13.638   1.452
  106    H    LEU  12           HN       LEU  12  -1.946  14.118  -3.398
  107    HA   LEU  12           HA       LEU  12  -4.147  15.758  -2.547
  108    HB2  LEU  12           HB2      LEU  12  -1.153  15.948  -2.454
  109    HB3  LEU  12           HB1      LEU  12  -2.144  17.435  -2.243
  110    HG   LEU  12           HG       LEU  12  -2.195  14.921  -0.630
  111   HD11  LEU  12          HD11      LEU  12  -1.065  16.265   1.072
  112   HD12  LEU  12          HD12      LEU  12  -1.234  17.749   0.055
  113   HD13  LEU  12          HD13      LEU  12  -0.172  16.389  -0.499
  114   HD21  LEU  12          HD21      LEU  12  -3.675  16.326   0.946
  115   HD22  LEU  12          HD22      LEU  12  -4.445  15.784  -0.596
  116   HD23  LEU  12          HD23      LEU  12  -3.861  17.484  -0.428
  117    H    PHE  13           HN       PHE  13  -1.201  15.915  -4.401
  118    HA   PHE  13           HA       PHE  13  -2.265  18.376  -5.582
  119    HB2  PHE  13           HB2      PHE  13  -0.095  17.354  -7.197
  120    HB3  PHE  13           HB1      PHE  13  -0.044  18.780  -6.103
  121    HD1  PHE  13           HD1      PHE  13   1.174  15.854  -6.954
  122    HD2  PHE  13           HD2      PHE  13   0.082  18.166  -3.611
  123    HE1  PHE  13           HE1      PHE  13   2.418  14.405  -5.590
  124    HE2  PHE  13           HE2      PHE  13   1.379  16.712  -2.203
  125    HZ   PHE  13           HZ       PHE  13   2.505  14.825  -3.243
  126    H    LEU  14           HN       LEU  14  -2.166  15.072  -5.606
  127    HA   LEU  14           HA       LEU  14  -2.337  14.694  -8.390
  128    HB2  LEU  14           HB2      LEU  14  -2.326  13.024  -5.946
  129    HB3  LEU  14           HB1      LEU  14  -3.286  12.331  -7.316
  130    HG   LEU  14           HG       LEU  14  -0.695  11.813  -7.098
  131   HD11  LEU  14          HD11      LEU  14  -0.687  12.271  -9.843
  132   HD12  LEU  14          HD12      LEU  14  -2.456  12.330  -9.474
  133   HD13  LEU  14          HD13      LEU  14  -1.489  10.868  -9.037
  134   HD21  LEU  14          HD21      LEU  14  -0.452  14.432  -8.688
  135   HD22  LEU  14          HD22      LEU  14   0.858  13.381  -8.027
  136   HD23  LEU  14          HD23      LEU  14  -0.170  14.354  -6.908
  137    H    ARG  15           HN       ARG  15  -4.310  15.861  -6.025
  138    HA   ARG  15           HA       ARG  15  -6.798  15.050  -7.165
  139    HB2  ARG  15           HB2      ARG  15  -5.693  15.820  -4.747
  140    HB3  ARG  15           HB1      ARG  15  -6.707  17.210  -5.222
  141    HG2  ARG  15           HG2      ARG  15  -8.680  16.072  -4.884
  142    HG3  ARG  15           HG1      ARG  15  -7.995  14.494  -5.427
  143    HD2  ARG  15           HD2      ARG  15  -8.492  15.081  -2.765
  144    HD3  ARG  15           HD1      ARG  15  -7.190  13.951  -3.343
  145    HE   ARG  15           HE       ARG  15  -5.646  15.424  -2.497
  146   HH11  ARG  15          HH11      ARG  15  -8.564  17.280  -3.324
  147   HH12  ARG  15          HH12      ARG  15  -7.843  18.828  -3.031
  148   HH21  ARG  15          HH21      ARG  15  -4.610  17.481  -2.298
  149   HH22  ARG  15          HH22      ARG  15  -5.535  18.946  -2.430
  150    H    LYS  16           HN       LYS  16  -4.778  17.721  -6.340
  151    HA   LYS  16           HA       LYS  16  -6.280  19.843  -7.245
  152    HB2  LYS  16           HB2      LYS  16  -3.336  19.306  -6.817
  153    HB3  LYS  16           HB1      LYS  16  -3.932  20.944  -7.288
  154    HG2  LYS  16           HG2      LYS  16  -5.320  21.034  -5.228
  155    HG3  LYS  16           HG1      LYS  16  -4.789  19.373  -4.788
  156    HD2  LYS  16           HD2      LYS  16  -2.433  20.127  -4.669
  157    HD3  LYS  16           HD1      LYS  16  -2.926  21.783  -5.172
  158    HE2  LYS  16           HE2      LYS  16  -4.294  22.019  -3.071
  159    HE3  LYS  16           HE1      LYS  16  -3.808  20.344  -2.573
  160    HZ1  LYS  16           HZ1      LYS  16  -2.205  22.805  -2.735
  161    HZ2  LYS  16           HZ2      LYS  16  -1.443  21.302  -2.936
  162    HZ3  LYS  16           HZ3      LYS  16  -2.300  21.634  -1.509
  163    H    LYS  17           HN       LYS  17  -3.709  17.906  -8.768
  164    HA   LYS  17           HA       LYS  17  -4.540  19.166 -11.252
  165    HB2  LYS  17           HB2      LYS  17  -1.702  18.118 -10.859
  166    HB3  LYS  17           HB1      LYS  17  -2.305  19.252 -12.117
  167    HG2  LYS  17           HG2      LYS  17  -1.564  20.966 -10.851
  168    HG3  LYS  17           HG1      LYS  17  -2.831  20.573  -9.644
  169    HD2  LYS  17           HD2      LYS  17  -0.871  18.702  -9.008
  170    HD3  LYS  17           HD1      LYS  17   0.130  20.075  -9.589
  171    HE2  LYS  17           HE2      LYS  17  -1.845  21.274  -7.889
  172    HE3  LYS  17           HE1      LYS  17  -1.328  19.767  -7.028
  173    HZ1  LYS  17           HZ1      LYS  17   0.407  21.956  -8.058
  174    HZ2  LYS  17           HZ2      LYS  17   0.983  20.493  -7.420
  175    HZ3  LYS  17           HZ3      LYS  17   0.088  21.552  -6.441
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1   9.996   5.928   2.902
    2    H2   GLU   1           HT2      GLU   1   8.380   5.739   3.389
    3    H3   GLU   1           HT3      GLU   1   8.743   6.564   1.950
    4    HA   GLU   1           HA       GLU   1   9.200   4.708   0.791
    5    HB2  GLU   1           HB2      GLU   1   9.891   2.534   1.821
    6    HB3  GLU   1           HB1      GLU   1  10.969   3.882   2.324
    7    HG2  GLU   1           HG2      GLU   1   9.676   4.087   4.497
    8    HG3  GLU   1           HG1      GLU   1   8.663   2.674   4.000
    9    H    MET   2           HN       MET   2   6.684   5.767   2.138
   10    HA   MET   2           HA       MET   2   5.151   3.298   1.792
   11    HB2  MET   2           HB2      MET   2   4.854   5.424   3.967
   12    HB3  MET   2           HB1      MET   2   3.457   4.417   3.452
   13    HG2  MET   2           HG2      MET   2   6.129   3.314   4.487
   14    HG3  MET   2           HG1      MET   2   4.670   3.563   5.495
   15    HE1  MET   2           HE1      MET   2   5.065  -0.302   5.228
   16    HE2  MET   2           HE2      MET   2   4.912   1.132   6.302
   17    HE3  MET   2           HE3      MET   2   6.354   0.952   5.243
   18    H    ARG   3           HN       ARG   3   3.091   3.585   0.804
   19    HA   ARG   3           HA       ARG   3   2.876   6.188  -0.478
   20    HB2  ARG   3           HB2      ARG   3   2.211   3.399  -1.443
   21    HB3  ARG   3           HB1      ARG   3   1.269   4.809  -2.060
   22    HG2  ARG   3           HG2      ARG   3   3.049   4.544  -3.620
   23    HG3  ARG   3           HG1      ARG   3   3.505   5.932  -2.564
   24    HD2  ARG   3           HD2      ARG   3   5.115   4.618  -1.324
   25    HD3  ARG   3           HD1      ARG   3   4.502   3.059  -2.034
   26    HE   ARG   3           HE       ARG   3   5.340   4.738  -4.203
   27   HH11  ARG   3          HH11      ARG   3   6.643   3.045  -1.353
   28   HH12  ARG   3          HH12      ARG   3   8.207   2.767  -2.041
   29   HH21  ARG   3          HH21      ARG   3   7.470   4.359  -5.141
   30   HH22  ARG   3          HH22      ARG   3   8.686   3.528  -4.230
   31    H    ILE   4           HN       ILE   4   2.253   5.934   1.990
   32    HA   ILE   4           HA       ILE   4  -0.537   6.583   1.973
   33    HB   ILE   4           HB       ILE   4   0.489   4.738   4.139
   34   HG12  ILE   4          HG12      ILE   4  -1.056   3.024   2.797
   35   HG13  ILE   4          HG11      ILE   4  -0.629   4.089   1.423
   36   HG21  ILE   4          HG21      ILE   4  -2.181   5.934   3.237
   37   HG22  ILE   4          HG22      ILE   4  -1.471   5.829   4.893
   38   HG23  ILE   4          HG23      ILE   4  -2.184   4.363   4.122
   39   HD11  ILE   4          HD11      ILE   4   1.840   3.583   2.729
   40   HD12  ILE   4          HD12      ILE   4   1.266   2.932   1.148
   41   HD13  ILE   4          HD13      ILE   4   0.988   1.991   2.671
   42    H    SER   5           HN       SER   5   2.105   7.573   1.951
   43    HA   SER   5           HA       SER   5   1.929   9.332   4.105
   44    HB2  SER   5           HB2      SER   5   3.052   7.314   5.330
   45    HB3  SER   5           HB1      SER   5   4.446   7.567   4.207
   46    HG   SER   5           HG       SER   5   4.593   9.683   5.002
   47    H    ARG   6           HN       ARG   6   1.801   9.294   1.445
   48    HA   ARG   6           HA       ARG   6   3.575  11.171   0.620
   49    HB2  ARG   6           HB2      ARG   6   5.284  10.027  -0.398
   50    HB3  ARG   6           HB1      ARG   6   4.694   8.563   0.457
   51    HG2  ARG   6           HG2      ARG   6   4.730   7.881  -1.808
   52    HG3  ARG   6           HG1      ARG   6   3.002   8.311  -1.550
   53    HD2  ARG   6           HD2      ARG   6   3.655   9.330  -3.667
   54    HD3  ARG   6           HD1      ARG   6   3.598  10.676  -2.451
   55    HE   ARG   6           HE       ARG   6   5.955  10.869  -2.578
   56   HH11  ARG   6          HH11      ARG   6   4.807   7.930  -4.241
   57   HH12  ARG   6          HH12      ARG   6   6.327   7.575  -4.990
   58   HH21  ARG   6          HH21      ARG   6   8.020  10.384  -3.599
   59   HH22  ARG   6          HH22      ARG   6   8.184   8.993  -4.618
   60    H    ILE   7           HN       ILE   7   1.334   8.529   0.266
   61    HA   ILE   7           HA       ILE   7   0.304   9.390  -2.184
   62    HB   ILE   7           HB       ILE   7  -0.112   7.407  -0.126
   63   HG12  ILE   7          HG12      ILE   7   0.841   6.882  -2.202
   64   HG13  ILE   7          HG11      ILE   7  -0.789   6.078  -2.137
   65   HG21  ILE   7          HG21      ILE   7  -2.301   8.498   0.226
   66   HG22  ILE   7          HG22      ILE   7  -2.515   6.890  -0.559
   67   HG23  ILE   7          HG23      ILE   7  -2.647   8.392  -1.545
   68   HD11  ILE   7          HD11      ILE   7  -1.345   8.732  -2.880
   69   HD12  ILE   7          HD12      ILE   7  -1.342   7.288  -4.015
   70   HD13  ILE   7          HD13      ILE   7   0.142   8.315  -3.833
   71    H    ILE   8           HN       ILE   8   0.445  10.456   0.726
   72    HA   ILE   8           HA       ILE   8  -2.234  11.218   0.723
   73    HB   ILE   8           HB       ILE   8   0.007  10.683   2.452
   74   HG12  ILE   8          HG12      ILE   8  -2.982  10.107   2.628
   75   HG13  ILE   8          HG11      ILE   8  -1.692   9.079   1.896
   76   HG21  ILE   8          HG21      ILE   8  -1.369  11.787   4.481
   77   HG22  ILE   8          HG22      ILE   8  -2.178  12.763   3.198
   78   HG23  ILE   8          HG23      ILE   8  -0.392  12.885   3.435
   79   HD11  ILE   8          HD11      ILE   8  -2.353   9.535   4.807
   80   HD12  ILE   8          HD12      ILE   8  -0.603   9.424   4.380
   81   HD13  ILE   8          HD13      ILE   8  -1.718   8.068   3.968
   82    H    LEU   9           HN       LEU   9  -0.152  11.860  -0.922
   83    HA   LEU   9           HA       LEU   9  -0.227  14.720  -1.061
   84    HB2  LEU   9           HB2      LEU   9   2.291  13.165  -1.644
   85    HB3  LEU   9           HB1      LEU   9   2.149  14.928  -1.312
   86    HG   LEU   9           HG       LEU   9   1.751  12.690   0.670
   87   HD11  LEU   9          HD11      LEU   9   3.952  13.164   1.561
   88   HD12  LEU   9          HD12      LEU   9   4.080  14.706   0.634
   89   HD13  LEU   9          HD13      LEU   9   4.166  13.126  -0.231
   90   HD21  LEU   9          HD21      LEU   9   0.561  15.033   0.883
   91   HD22  LEU   9          HD22      LEU   9   2.158  15.578   1.501
   92   HD23  LEU   9          HD23      LEU   9   1.269  14.233   2.324
   93    H    DAS  10           HN       DAS  10   0.517  11.536  -2.050
   94    HA   DAS  10           HA       DAS  10   0.429  10.566  -3.960
   95    HB2  DAS  10           HB2      DAS  10   0.140  13.060  -5.552
   96    HB3  DAS  10           HB1      DAS  10   1.644  12.855  -4.608
   97    H    PHE  11           HN       PHE  11  -1.816  12.520  -2.670
   98    HA   PHE  11           HA       PHE  11  -3.836  11.968  -4.691
   99    HB2  PHE  11           HB2      PHE  11  -5.212  10.712  -3.217
  100    HB3  PHE  11           HB1      PHE  11  -3.582  10.232  -2.599
  101    HD1  PHE  11           HD1      PHE  11  -6.569  10.851  -1.312
  102    HD2  PHE  11           HD2      PHE  11  -2.707  12.527  -1.315
  103    HE1  PHE  11           HE1      PHE  11  -7.014  11.970   0.801
  104    HE2  PHE  11           HE2      PHE  11  -3.089  13.619   0.658
  105    HZ   PHE  11           HZ       PHE  11  -5.277  13.380   1.860
  106    H    LEU  12           HN       LEU  12  -2.031  14.163  -3.278
  107    HA   LEU  12           HA       LEU  12  -4.163  15.718  -2.088
  108    HB2  LEU  12           HB2      LEU  12  -1.168  15.853  -2.166
  109    HB3  LEU  12           HB1      LEU  12  -2.097  17.364  -1.862
  110    HG   LEU  12           HG       LEU  12  -2.142  14.807  -0.322
  111   HD11  LEU  12          HD11      LEU  12  -1.126  17.597   0.431
  112   HD12  LEU  12          HD12      LEU  12  -0.097  16.271  -0.255
  113   HD13  LEU  12          HD13      LEU  12  -0.905  16.059   1.355
  114   HD21  LEU  12          HD21      LEU  12  -3.832  17.340  -0.130
  115   HD22  LEU  12          HD22      LEU  12  -3.522  16.325   1.334
  116   HD23  LEU  12          HD23      LEU  12  -4.358  15.616  -0.104
  117    H    PHE  13           HN       PHE  13  -1.354  15.951  -4.118
  118    HA   PHE  13           HA       PHE  13  -2.499  18.464  -5.134
  119    HB2  PHE  13           HB2      PHE  13  -0.329  17.675  -6.832
  120    HB3  PHE  13           HB1      PHE  13  -0.278  18.969  -5.589
  121    HD1  PHE  13           HD1      PHE  13   0.867  16.099  -6.778
  122    HD2  PHE  13           HD2      PHE  13   0.045  18.157  -3.198
  123    HE1  PHE  13           HE1      PHE  13   2.189  14.537  -5.624
  124    HE2  PHE  13           HE2      PHE  13   1.422  16.580  -2.002
  125    HZ   PHE  13           HZ       PHE  13   2.447  14.761  -3.267
  126    H    LEU  14           HN       LEU  14  -2.309  15.131  -5.360
  127    HA   LEU  14           HA       LEU  14  -2.393  14.938  -8.160
  128    HB2  LEU  14           HB2      LEU  14  -2.529  13.107  -5.834
  129    HB3  LEU  14           HB1      LEU  14  -3.506  12.546  -7.258
  130    HG   LEU  14           HG       LEU  14  -0.914  11.923  -6.992
  131   HD11  LEU  14          HD11      LEU  14  -2.627  12.495  -9.403
  132   HD12  LEU  14          HD12      LEU  14  -1.789  10.976  -8.899
  133   HD13  LEU  14          HD13      LEU  14  -0.861  12.287  -9.720
  134   HD21  LEU  14          HD21      LEU  14  -0.586  14.508  -8.621
  135   HD22  LEU  14          HD22      LEU  14   0.687  13.416  -7.961
  136   HD23  LEU  14          HD23      LEU  14  -0.284  14.442  -6.843
  137    H    ARG  15           HN       ARG  15  -4.366  16.413  -6.206
  138    HA   ARG  15           HA       ARG  15  -6.794  15.588  -7.527
  139    HB2  ARG  15           HB2      ARG  15  -5.996  16.304  -4.874
  140    HB3  ARG  15           HB1      ARG  15  -7.128  17.576  -5.463
  141    HG2  ARG  15           HG2      ARG  15  -8.912  16.224  -5.086
  142    HG3  ARG  15           HG1      ARG  15  -8.224  14.966  -6.178
  143    HD2  ARG  15           HD2      ARG  15  -6.699  14.949  -3.701
  144    HD3  ARG  15           HD1      ARG  15  -8.463  14.887  -3.288
  145    HE   ARG  15           HE       ARG  15  -8.548  12.730  -4.241
  146   HH11  ARG  15          HH11      ARG  15  -5.666  14.432  -5.421
  147   HH12  ARG  15          HH12      ARG  15  -4.926  13.016  -6.092
  148   HH21  ARG  15          HH21      ARG  15  -7.538  10.814  -5.111
  149   HH22  ARG  15          HH22      ARG  15  -6.009  10.930  -5.914
  150    H    LYS  16           HN       LYS  16  -4.430  18.007  -6.861
  151    HA   LYS  16           HA       LYS  16  -5.752  20.285  -7.717
  152    HB2  LYS  16           HB2      LYS  16  -2.828  19.440  -7.571
  153    HB3  LYS  16           HB1      LYS  16  -3.319  21.102  -8.066
  154    HG2  LYS  16           HG2      LYS  16  -4.488  21.388  -5.886
  155    HG3  LYS  16           HG1      LYS  16  -4.027  19.713  -5.431
  156    HD2  LYS  16           HD2      LYS  16  -1.632  20.310  -5.544
  157    HD3  LYS  16           HD1      LYS  16  -2.053  21.978  -6.061
  158    HE2  LYS  16           HE2      LYS  16  -3.219  22.367  -3.864
  159    HE3  LYS  16           HE1      LYS  16  -2.808  20.676  -3.354
  160    HZ1  LYS  16           HZ1      LYS  16  -0.450  21.814  -4.204
  161    HZ2  LYS  16           HZ2      LYS  16  -0.942  21.510  -2.607
  162    HZ3  LYS  16           HZ3      LYS  16  -1.225  23.030  -3.308
  163    H    LYS  17           HN       LYS  17  -3.945  17.709  -9.314
  164    HA   LYS  17           HA       LYS  17  -3.674  19.012 -11.756
  165    HB2  LYS  17           HB2      LYS  17  -4.152  16.010 -11.695
  166    HB3  LYS  17           HB1      LYS  17  -3.031  16.950 -12.741
  167    HG2  LYS  17           HG2      LYS  17  -2.676  16.429  -9.728
  168    HG3  LYS  17           HG1      LYS  17  -1.824  15.574 -11.054
  169    HD2  LYS  17           HD2      LYS  17  -0.294  17.232 -11.275
  170    HD3  LYS  17           HD1      LYS  17  -1.561  18.506 -11.333
  171    HE2  LYS  17           HE2      LYS  17  -1.612  18.726  -8.921
  172    HE3  LYS  17           HE1      LYS  17  -0.697  17.176  -8.689
  173    HZ1  LYS  17           HZ1      LYS  17   0.555  19.307 -10.275
  174    HZ2  LYS  17           HZ2      LYS  17   1.246  18.158  -9.233
  175    HZ3  LYS  17           HZ3      LYS  17   0.450  19.515  -8.593
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1   8.591   2.797   3.285
    2    H2   GLU   1           HT2      GLU   1  10.173   2.993   2.698
    3    H3   GLU   1           HT3      GLU   1   9.063   2.033   1.842
    4    HA   GLU   1           HA       GLU   1   9.464   4.860   1.823
    5    HB2  GLU   1           HB2      GLU   1   7.923   2.920   0.000
    6    HB3  GLU   1           HB1      GLU   1   8.303   4.630  -0.405
    7    HG2  GLU   1           HG2      GLU   1  10.766   4.119  -0.300
    8    HG3  GLU   1           HG1      GLU   1  10.383   2.394   0.089
    9    H    MET   2           HN       MET   2   6.520   2.723   1.700
   10    HA   MET   2           HA       MET   2   4.453   3.057   2.387
   11    HB2  MET   2           HB2      MET   2   5.630   5.348   4.040
   12    HB3  MET   2           HB1      MET   2   3.885   4.926   4.052
   13    HG2  MET   2           HG2      MET   2   4.402   2.640   4.842
   14    HG3  MET   2           HG1      MET   2   6.160   2.976   4.752
   15    HE1  MET   2           HE1      MET   2   3.030   5.157   6.064
   16    HE2  MET   2           HE2      MET   2   2.999   4.534   7.748
   17    HE3  MET   2           HE3      MET   2   2.809   3.399   6.368
   18    H    ARG   3           HN       ARG   3   3.306   3.542   0.573
   19    HA   ARG   3           HA       ARG   3   3.401   6.320  -0.242
   20    HB2  ARG   3           HB2      ARG   3   2.700   3.735  -1.689
   21    HB3  ARG   3           HB1      ARG   3   1.932   5.278  -2.218
   22    HG2  ARG   3           HG2      ARG   3   3.906   5.030  -3.561
   23    HG3  ARG   3           HG1      ARG   3   4.248   6.297  -2.330
   24    HD2  ARG   3           HD2      ARG   3   5.489   4.643  -0.922
   25    HD3  ARG   3           HD1      ARG   3   5.145   3.342  -2.143
   26    HE   ARG   3           HE       ARG   3   6.746   4.332  -3.605
   27   HH11  ARG   3          HH11      ARG   3   6.088   6.401  -0.771
   28   HH12  ARG   3          HH12      ARG   3   7.394   7.496  -1.080
   29   HH21  ARG   3          HH21      ARG   3   8.520   5.819  -4.014
   30   HH22  ARG   3          HH22      ARG   3   8.797   7.159  -2.952
   31    H    ILE   4           HN       ILE   4   2.457   6.106   1.974
   32    HA   ILE   4           HA       ILE   4  -0.344   6.628   1.719
   33    HB   ILE   4           HB       ILE   4  -0.345   5.245   4.084
   34   HG12  ILE   4          HG12      ILE   4   2.008   4.382   3.175
   35   HG13  ILE   4          HG11      ILE   4   0.880   3.278   4.034
   36   HG21  ILE   4          HG21      ILE   4  -2.210   5.146   2.584
   37   HG22  ILE   4          HG22      ILE   4  -1.615   3.444   2.664
   38   HG23  ILE   4          HG23      ILE   4  -1.211   4.478   1.240
   39   HD11  ILE   4          HD11      ILE   4   0.349   2.074   2.085
   40   HD12  ILE   4          HD12      ILE   4   2.041   2.571   1.706
   41   HD13  ILE   4          HD13      ILE   4   0.657   3.481   0.998
   42    H    SER   5           HN       SER   5   2.219   7.741   1.954
   43    HA   SER   5           HA       SER   5   1.897   9.473   4.144
   44    HB2  SER   5           HB2      SER   5   4.211   7.440   4.308
   45    HB3  SER   5           HB1      SER   5   4.244   9.032   5.168
   46    HG   SER   5           HG       SER   5   1.948   7.517   5.494
   47    H    ARG   6           HN       ARG   6   1.837   9.395   1.469
   48    HA   ARG   6           HA       ARG   6   3.595  11.317   0.675
   49    HB2  ARG   6           HB2      ARG   6   5.339  10.150  -0.247
   50    HB3  ARG   6           HB1      ARG   6   4.668   8.664   0.505
   51    HG2  ARG   6           HG2      ARG   6   4.836   8.127  -1.806
   52    HG3  ARG   6           HG1      ARG   6   3.093   8.502  -1.575
   53    HD2  ARG   6           HD2      ARG   6   3.873   9.607  -3.641
   54    HD3  ARG   6           HD1      ARG   6   3.594  10.891  -2.385
   55    HE   ARG   6           HE       ARG   6   6.303  10.123  -2.121
   56   HH11  ARG   6          HH11      ARG   6   4.130  11.456  -4.606
   57   HH12  ARG   6          HH12      ARG   6   5.343  12.426  -5.374
   58   HH21  ARG   6          HH21      ARG   6   7.961  11.442  -3.167
   59   HH22  ARG   6          HH22      ARG   6   7.559  12.415  -4.541
   60    H    ILE   7           HN       ILE   7   1.409   8.616   0.272
   61    HA   ILE   7           HA       ILE   7   0.391   9.521  -2.171
   62    HB   ILE   7           HB       ILE   7   0.046   7.424  -0.242
   63   HG12  ILE   7          HG12      ILE   7   0.979   7.081  -2.369
   64   HG13  ILE   7          HG11      ILE   7  -0.614   6.205  -2.329
   65   HG21  ILE   7          HG21      ILE   7  -2.337   6.846  -0.633
   66   HG22  ILE   7          HG22      ILE   7  -2.554   8.375  -1.559
   67   HG23  ILE   7          HG23      ILE   7  -2.176   8.433   0.208
   68   HD11  ILE   7          HD11      ILE   7  -1.268   7.521  -4.100
   69   HD12  ILE   7          HD12      ILE   7   0.199   8.569  -3.898
   70   HD13  ILE   7          HD13      ILE   7  -1.281   8.886  -2.884
   71    H    ILE   8           HN       ILE   8   0.469  10.558   0.729
   72    HA   ILE   8           HA       ILE   8  -2.242  11.216   0.707
   73    HB   ILE   8           HB       ILE   8  -0.015  10.733   2.467
   74   HG12  ILE   8          HG12      ILE   8  -2.990  10.069   2.581
   75   HG13  ILE   8          HG11      ILE   8  -1.656   9.084   1.868
   76   HG21  ILE   8          HG21      ILE   8  -2.268  12.744   3.192
   77   HG22  ILE   8          HG22      ILE   8  -0.492  12.910   3.466
   78   HG23  ILE   8          HG23      ILE   8  -1.460  11.778   4.482
   79   HD11  ILE   8          HD11      ILE   8  -0.607   9.385   4.344
   80   HD12  ILE   8          HD12      ILE   8  -1.764   8.060   3.945
   81   HD13  ILE   8          HD13      ILE   8  -2.348   9.550   4.783
   82    H    LEU   9           HN       LEU   9  -0.148  11.932  -0.893
   83    HA   LEU   9           HA       LEU   9  -0.319  14.793  -1.013
   84    HB2  LEU   9           HB2      LEU   9   2.259  13.329  -1.567
   85    HB3  LEU   9           HB1      LEU   9   2.051  15.084  -1.217
   86    HG   LEU   9           HG       LEU   9   1.688  12.808   0.733
   87   HD11  LEU   9          HD11      LEU   9   3.860  13.319   1.659
   88   HD12  LEU   9          HD12      LEU   9   3.957  14.890   0.776
   89   HD13  LEU   9          HD13      LEU   9   4.105  13.338  -0.131
   90   HD21  LEU   9          HD21      LEU   9   1.128  14.316   2.391
   91   HD22  LEU   9          HD22      LEU   9   0.430  15.118   0.947
   92   HD23  LEU   9          HD23      LEU   9   1.999  15.695   1.609
   93    H    DAS  10           HN       DAS  10   0.542  11.643  -2.015
   94    HA   DAS  10           HA       DAS  10   0.525  10.695  -3.943
   95    HB2  DAS  10           HB2      DAS  10   0.162  13.180  -5.524
   96    HB3  DAS  10           HB1      DAS  10   1.645  13.060  -4.534
   97    H    PHE  11           HN       PHE  11  -1.806  12.563  -2.670
   98    HA   PHE  11           HA       PHE  11  -3.771  11.961  -4.727
   99    HB2  PHE  11           HB2      PHE  11  -5.138  10.656  -3.286
  100    HB3  PHE  11           HB1      PHE  11  -3.504  10.214  -2.647
  101    HD1  PHE  11           HD1      PHE  11  -6.521  10.723  -1.393
  102    HD2  PHE  11           HD2      PHE  11  -2.720  12.533  -1.332
  103    HE1  PHE  11           HE1      PHE  11  -7.032  11.810   0.720
  104    HE2  PHE  11           HE2      PHE  11  -3.170  13.598   0.643
  105    HZ   PHE  11           HZ       PHE  11  -5.361  13.272   1.813
  106    H    LEU  12           HN       LEU  12  -2.061  14.204  -3.276
  107    HA   LEU  12           HA       LEU  12  -4.261  15.682  -2.110
  108    HB2  LEU  12           HB2      LEU  12  -1.270  15.911  -2.129
  109    HB3  LEU  12           HB1      LEU  12  -2.251  17.390  -1.833
  110    HG   LEU  12           HG       LEU  12  -2.251  14.822  -0.312
  111   HD11  LEU  12          HD11      LEU  12  -0.250  16.344  -0.194
  112   HD12  LEU  12          HD12      LEU  12  -1.079  16.086   1.398
  113   HD13  LEU  12          HD13      LEU  12  -1.326  17.629   0.491
  114   HD21  LEU  12          HD21      LEU  12  -4.013  17.304  -0.136
  115   HD22  LEU  12          HD22      LEU  12  -3.702  16.289   1.329
  116   HD23  LEU  12          HD23      LEU  12  -4.489  15.564  -0.130
  117    H    PHE  13           HN       PHE  13  -1.426  16.017  -4.090
  118    HA   PHE  13           HA       PHE  13  -2.637  18.500  -5.114
  119    HB2  PHE  13           HB2      PHE  13  -0.406  17.797  -6.771
  120    HB3  PHE  13           HB1      PHE  13  -0.425  19.085  -5.518
  121    HD1  PHE  13           HD1      PHE  13   0.841  16.262  -6.701
  122    HD2  PHE  13           HD2      PHE  13  -0.121  18.265  -3.123
  123    HE1  PHE  13           HE1      PHE  13   2.190  14.737  -5.532
  124    HE2  PHE  13           HE2      PHE  13   1.284  16.724  -1.910
  125    HZ   PHE  13           HZ       PHE  13   2.395  14.951  -3.169
  126    H    LEU  14           HN       LEU  14  -2.333  15.176  -5.351
  127    HA   LEU  14           HA       LEU  14  -2.357  15.003  -8.155
  128    HB2  LEU  14           HB2      LEU  14  -2.475  13.149  -5.847
  129    HB3  LEU  14           HB1      LEU  14  -3.407  12.569  -7.293
  130    HG   LEU  14           HG       LEU  14  -0.799  12.028  -6.985
  131   HD11  LEU  14          HD11      LEU  14  -2.484  12.565  -9.426
  132   HD12  LEU  14          HD12      LEU  14  -1.619  11.065  -8.910
  133   HD13  LEU  14          HD13      LEU  14  -0.707  12.403  -9.707
  134   HD21  LEU  14          HD21      LEU  14   0.768  13.580  -7.915
  135   HD22  LEU  14          HD22      LEU  14  -0.258  14.568  -6.811
  136   HD23  LEU  14          HD23      LEU  14  -0.530  14.632  -8.595
  137    H    ARG  15           HN       ARG  15  -4.410  16.398  -6.225
  138    HA   ARG  15           HA       ARG  15  -6.785  15.508  -7.598
  139    HB2  ARG  15           HB2      ARG  15  -6.062  16.242  -4.926
  140    HB3  ARG  15           HB1      ARG  15  -7.222  17.478  -5.535
  141    HG2  ARG  15           HG2      ARG  15  -8.965  16.066  -5.178
  142    HG3  ARG  15           HG1      ARG  15  -8.230  14.848  -6.284
  143    HD2  ARG  15           HD2      ARG  15  -6.729  14.838  -3.791
  144    HD3  ARG  15           HD1      ARG  15  -8.494  14.711  -3.399
  145    HE   ARG  15           HE       ARG  15  -8.509  12.572  -4.402
  146   HH11  ARG  15          HH11      ARG  15  -5.636  14.371  -5.463
  147   HH12  ARG  15          HH12      ARG  15  -4.845  12.988  -6.145
  148   HH21  ARG  15          HH21      ARG  15  -7.428  10.702  -5.291
  149   HH22  ARG  15          HH22      ARG  15  -5.879  10.875  -6.048
  150    H    LYS  16           HN       LYS  16  -4.492  17.992  -6.907
  151    HA   LYS  16           HA       LYS  16  -5.873  20.230  -7.785
  152    HB2  LYS  16           HB2      LYS  16  -2.940  19.461  -7.569
  153    HB3  LYS  16           HB1      LYS  16  -3.429  21.074  -8.203
  154    HG2  LYS  16           HG2      LYS  16  -4.613  21.546  -6.082
  155    HG3  LYS  16           HG1      LYS  16  -4.217  19.895  -5.493
  156    HD2  LYS  16           HD2      LYS  16  -1.878  20.370  -5.361
  157    HD3  LYS  16           HD1      LYS  16  -2.041  21.866  -6.342
  158    HE2  LYS  16           HE2      LYS  16  -1.708  22.408  -3.916
  159    HE3  LYS  16           HE1      LYS  16  -3.353  22.938  -4.462
  160    HZ1  LYS  16           HZ1      LYS  16  -4.107  21.755  -2.798
  161    HZ2  LYS  16           HZ2      LYS  16  -2.603  21.032  -2.487
  162    HZ3  LYS  16           HZ3      LYS  16  -3.657  20.344  -3.628
  163    H    LYS  17           HN       LYS  17  -3.989  17.700  -9.358
  164    HA   LYS  17           HA       LYS  17  -3.805  19.000 -11.821
  165    HB2  LYS  17           HB2      LYS  17  -4.081  15.978 -11.756
  166    HB3  LYS  17           HB1      LYS  17  -2.998  16.992 -12.773
  167    HG2  LYS  17           HG2      LYS  17  -2.669  16.482  -9.754
  168    HG3  LYS  17           HG1      LYS  17  -1.749  15.673 -11.064
  169    HD2  LYS  17           HD2      LYS  17  -0.306  17.412 -11.262
  170    HD3  LYS  17           HD1      LYS  17  -1.639  18.615 -11.343
  171    HE2  LYS  17           HE2      LYS  17  -1.745  18.824  -8.931
  172    HE3  LYS  17           HE1      LYS  17  -0.740  17.335  -8.684
  173    HZ1  LYS  17           HZ1      LYS  17   1.146  18.438  -9.210
  174    HZ2  LYS  17           HZ2      LYS  17   0.261  19.733  -8.562
  175    HZ3  LYS  17           HZ3      LYS  17   0.393  19.553 -10.245
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1   7.395   1.483  -3.176
    2    H2   GLU   1           HT2      GLU   1   6.569   2.939  -3.464
    3    H3   GLU   1           HT3      GLU   1   5.739   1.607  -2.812
    4    HA   GLU   1           HA       GLU   1   6.629   1.834  -0.765
    5    HB2  GLU   1           HB2      GLU   1   9.010   1.810  -1.612
    6    HB3  GLU   1           HB1      GLU   1   8.844   3.553  -2.028
    7    HG2  GLU   1           HG2      GLU   1   8.502   4.130   0.383
    8    HG3  GLU   1           HG1      GLU   1   8.598   2.380   0.828
    9    H    MET   2           HN       MET   2   5.148   3.074   0.330
   10    HA   MET   2           HA       MET   2   5.160   5.935  -0.326
   11    HB2  MET   2           HB2      MET   2   2.684   4.304   0.461
   12    HB3  MET   2           HB1      MET   2   2.731   6.076   0.112
   13    HG2  MET   2           HG2      MET   2   3.404   3.807  -1.893
   14    HG3  MET   2           HG1      MET   2   1.840   4.664  -1.808
   15    HE1  MET   2           HE1      MET   2   3.379   5.815  -5.178
   16    HE2  MET   2           HE2      MET   2   2.039   4.985  -4.313
   17    HE3  MET   2           HE3      MET   2   3.673   4.236  -4.370
   18    H    ARG   3           HN       ARG   3   4.030   7.165   1.520
   19    HA   ARG   3           HA       ARG   3   5.045   5.976   3.924
   20    HB2  ARG   3           HB2      ARG   3   4.339   8.890   3.461
   21    HB3  ARG   3           HB1      ARG   3   5.188   8.209   4.903
   22    HG2  ARG   3           HG2      ARG   3   6.212   8.372   2.017
   23    HG3  ARG   3           HG1      ARG   3   6.877   9.201   3.474
   24    HD2  ARG   3           HD2      ARG   3   7.428   6.904   4.461
   25    HD3  ARG   3           HD1      ARG   3   6.882   6.156   2.892
   26    HE   ARG   3           HE       ARG   3   8.847   8.253   2.398
   27   HH11  ARG   3          HH11      ARG   3   8.430   4.949   3.660
   28   HH12  ARG   3          HH12      ARG   3  10.014   4.411   3.208
   29   HH21  ARG   3          HH21      ARG   3  11.005   7.522   1.790
   30   HH22  ARG   3          HH22      ARG   3  11.501   5.898   2.130
   31    H    ILE   4           HN       ILE   4   2.333   6.371   2.157
   32    HA   ILE   4           HA       ILE   4   0.148   6.216   2.630
   33    HB   ILE   4           HB       ILE   4   0.535   5.482   5.478
   34   HG12  ILE   4          HG12      ILE   4   2.527   4.506   4.534
   35   HG13  ILE   4          HG11      ILE   4   1.351   3.203   4.875
   36   HG21  ILE   4          HG21      ILE   4  -1.061   4.384   3.065
   37   HG22  ILE   4          HG22      ILE   4  -1.693   5.349   4.453
   38   HG23  ILE   4          HG23      ILE   4  -1.115   3.660   4.717
   39   HD11  ILE   4          HD11      ILE   4   0.970   4.079   2.123
   40   HD12  ILE   4          HD12      ILE   4   1.572   2.484   2.717
   41   HD13  ILE   4          HD13      ILE   4   2.739   3.833   2.406
   42    H    SER   5           HN       SER   5   1.910   8.301   3.052
   43    HA   SER   5           HA       SER   5   0.162  10.067   4.016
   44    HB2  SER   5           HB2      SER   5   1.585  11.096   5.928
   45    HB3  SER   5           HB1      SER   5   0.750   9.555   6.369
   46    HG   SER   5           HG       SER   5   2.669   8.461   5.846
   47    H    ARG   6           HN       ARG   6   1.458   9.313   1.822
   48    HA   ARG   6           HA       ARG   6   3.045  11.591   1.299
   49    HB2  ARG   6           HB2      ARG   6   4.962  10.313   1.429
   50    HB3  ARG   6           HB1      ARG   6   4.001   8.800   1.459
   51    HG2  ARG   6           HG2      ARG   6   5.370   8.819  -0.561
   52    HG3  ARG   6           HG1      ARG   6   3.632   8.986  -1.013
   53    HD2  ARG   6           HD2      ARG   6   4.786  10.639  -2.352
   54    HD3  ARG   6           HD1      ARG   6   4.060  11.575  -0.969
   55    HE   ARG   6           HE       ARG   6   6.680  10.740  -0.176
   56   HH11  ARG   6          HH11      ARG   6   5.051  12.826  -2.557
   57   HH12  ARG   6          HH12      ARG   6   6.325  13.996  -2.638
   58   HH21  ARG   6          HH21      ARG   6   8.418  12.332  -0.283
   59   HH22  ARG   6          HH22      ARG   6   8.272  13.710  -1.322
   60    H    ILE   7           HN       ILE   7   1.342   8.542   0.404
   61    HA   ILE   7           HA       ILE   7   1.009   9.674  -2.275
   62    HB   ILE   7           HB       ILE   7  -1.172   7.829  -1.654
   63   HG12  ILE   7          HG12      ILE   7   0.336   5.787  -1.539
   64   HG13  ILE   7          HG11      ILE   7   1.651   6.927  -1.058
   65   HG21  ILE   7          HG21      ILE   7  -0.184   6.645  -3.681
   66   HG22  ILE   7          HG22      ILE   7   1.206   7.794  -3.629
   67   HG23  ILE   7          HG23      ILE   7  -0.463   8.408  -3.937
   68   HD11  ILE   7          HD11      ILE   7  -0.560   5.899   0.563
   69   HD12  ILE   7          HD12      ILE   7  -0.648   7.709   0.443
   70   HD13  ILE   7          HD13      ILE   7   0.853   6.909   1.057
   71    H    ILE   8           HN       ILE   8   0.157  10.264   0.737
   72    HA   ILE   8           HA       ILE   8  -2.555  10.738   0.155
   73    HB   ILE   8           HB       ILE   8  -0.846  10.601   2.570
   74   HG12  ILE   8          HG12      ILE   8  -3.471   9.244   1.727
   75   HG13  ILE   8          HG11      ILE   8  -1.827   8.616   1.385
   76   HG21  ILE   8          HG21      ILE   8  -3.572  12.007   2.271
   77   HG22  ILE   8          HG22      ILE   8  -2.172  12.445   3.325
   78   HG23  ILE   8          HG23      ILE   8  -3.249  11.073   3.780
   79   HD11  ILE   8          HD11      ILE   8  -1.914   7.523   3.363
   80   HD12  ILE   8          HD12      ILE   8  -3.434   8.379   3.833
   81   HD13  ILE   8          HD13      ILE   8  -1.829   9.128   4.180
   82    H    LEU   9           HN       LEU   9  -0.303  11.804  -0.957
   83    HA   LEU   9           HA       LEU   9  -0.795  14.617  -0.893
   84    HB2  LEU   9           HB2      LEU   9   2.008  13.485  -0.928
   85    HB3  LEU   9           HB1      LEU   9   1.520  15.188  -0.585
   86    HG   LEU   9           HG       LEU   9   1.035  12.776   1.166
   87   HD11  LEU   9          HD11      LEU   9   3.492  13.656   0.862
   88   HD12  LEU   9          HD12      LEU   9   2.882  13.506   2.555
   89   HD13  LEU   9          HD13      LEU   9   2.948  15.122   1.759
   90   HD21  LEU   9          HD21      LEU   9   0.777  15.638   2.153
   91   HD22  LEU   9          HD22      LEU   9  -0.036  14.125   2.722
   92   HD23  LEU   9          HD23      LEU   9  -0.532  14.891   1.180
   93    H    DAS  10           HN       DAS  10   0.716  11.726  -1.878
   94    HA   DAS  10           HA       DAS  10   1.295  10.998  -3.837
   95    HB2  DAS  10           HB2      DAS  10   0.845  13.583  -5.234
   96    HB3  DAS  10           HB1      DAS  10   2.139  13.510  -4.003
   97    H    PHE  11           HN       PHE  11  -1.550  12.211  -2.924
   98    HA   PHE  11           HA       PHE  11  -2.857  11.589  -5.473
   99    HB2  PHE  11           HB2      PHE  11  -4.415  10.134  -4.436
  100    HB3  PHE  11           HB1      PHE  11  -2.937   9.802  -3.452
  101    HD1  PHE  11           HD1      PHE  11  -6.195   9.957  -2.930
  102    HD2  PHE  11           HD2      PHE  11  -2.720  12.095  -1.878
  103    HE1  PHE  11           HE1      PHE  11  -7.278  10.787  -0.905
  104    HE2  PHE  11           HE2      PHE  11  -3.721  12.918   0.037
  105    HZ   PHE  11           HZ       PHE  11  -6.061  12.286   0.631
  106    H    LEU  12           HN       LEU  12  -1.932  13.908  -3.360
  107    HA   LEU  12           HA       LEU  12  -4.521  15.006  -2.791
  108    HB2  LEU  12           HB2      LEU  12  -1.685  15.730  -2.128
  109    HB3  LEU  12           HB1      LEU  12  -2.980  16.968  -1.964
  110    HG   LEU  12           HG       LEU  12  -2.784  14.299  -0.636
  111   HD11  LEU  12          HD11      LEU  12  -2.536  17.139   0.488
  112   HD12  LEU  12          HD12      LEU  12  -1.146  16.090  -0.010
  113   HD13  LEU  12          HD13      LEU  12  -2.223  15.587   1.359
  114   HD21  LEU  12          HD21      LEU  12  -4.935  16.480  -0.481
  115   HD22  LEU  12          HD22      LEU  12  -4.751  15.186   0.766
  116   HD23  LEU  12          HD23      LEU  12  -5.139  14.747  -0.943
  117    H    PHE  13           HN       PHE  13  -1.411  15.939  -4.041
  118    HA   PHE  13           HA       PHE  13  -2.751  18.307  -5.123
  119    HB2  PHE  13           HB2      PHE  13  -0.182  17.959  -6.389
  120    HB3  PHE  13           HB1      PHE  13  -0.614  19.187  -5.147
  121    HD1  PHE  13           HD1      PHE  13   1.310  16.702  -6.090
  122    HD2  PHE  13           HD2      PHE  13  -0.763  18.218  -2.752
  123    HE1  PHE  13           HE1      PHE  13   2.589  15.308  -4.707
  124    HE2  PHE  13           HE2      PHE  13   0.565  16.811  -1.314
  125    HZ   PHE  13           HZ       PHE  13   2.210  15.356  -2.350
  126    H    LEU  14           HN       LEU  14  -1.967  15.118  -5.489
  127    HA   LEU  14           HA       LEU  14  -1.598  15.120  -8.279
  128    HB2  LEU  14           HB2      LEU  14  -1.661  13.146  -6.072
  129    HB3  LEU  14           HB1      LEU  14  -2.219  12.498  -7.671
  130    HG   LEU  14           HG       LEU  14   0.354  12.425  -7.022
  131   HD11  LEU  14          HD11      LEU  14   0.114  11.639  -9.164
  132   HD12  LEU  14          HD12      LEU  14   0.707  13.273  -9.654
  133   HD13  LEU  14          HD13      LEU  14  -1.067  12.931  -9.613
  134   HD21  LEU  14          HD21      LEU  14   0.313  14.973  -6.470
  135   HD22  LEU  14          HD22      LEU  14   0.330  15.240  -8.256
  136   HD23  LEU  14          HD23      LEU  14   1.690  14.359  -7.460
  137    H    ARG  15           HN       ARG  15  -4.129  15.559  -6.219
  138    HA   ARG  15           HA       ARG  15  -6.181  14.488  -7.886
  139    HB2  ARG  15           HB2      ARG  15  -5.667  15.119  -5.241
  140    HB3  ARG  15           HB1      ARG  15  -6.842  16.358  -5.761
  141    HG2  ARG  15           HG2      ARG  15  -8.580  14.855  -5.899
  142    HG3  ARG  15           HG1      ARG  15  -7.521  13.511  -6.467
  143    HD2  ARG  15           HD2      ARG  15  -8.541  13.633  -3.895
  144    HD3  ARG  15           HD1      ARG  15  -6.963  12.843  -4.338
  145    HE   ARG  15           HE       ARG  15  -5.903  14.438  -3.070
  146   HH11  ARG  15          HH11      ARG  15  -8.950  15.845  -4.244
  147   HH12  ARG  15          HH12      ARG  15  -8.608  17.441  -3.666
  148   HH21  ARG  15          HH21      ARG  15  -5.343  16.598  -2.468
  149   HH22  ARG  15          HH22      ARG  15  -6.503  17.883  -2.628
  150    H    LYS  16           HN       LYS  16  -4.851  17.340  -6.471
  151    HA   LYS  16           HA       LYS  16  -6.560  19.274  -7.417
  152    HB2  LYS  16           HB2      LYS  16  -3.665  19.190  -6.562
  153    HB3  LYS  16           HB1      LYS  16  -4.468  20.750  -6.990
  154    HG2  LYS  16           HG2      LYS  16  -6.149  20.371  -5.194
  155    HG3  LYS  16           HG1      LYS  16  -5.376  18.794  -4.801
  156    HD2  LYS  16           HD2      LYS  16  -3.255  19.936  -4.246
  157    HD3  LYS  16           HD1      LYS  16  -3.974  21.520  -4.703
  158    HE2  LYS  16           HE2      LYS  16  -5.654  21.301  -2.837
  159    HE3  LYS  16           HE1      LYS  16  -4.934  19.698  -2.387
  160    HZ1  LYS  16           HZ1      LYS  16  -4.131  22.257  -1.626
  161    HZ2  LYS  16           HZ2      LYS  16  -2.886  21.605  -2.578
  162    HZ3  LYS  16           HZ3      LYS  16  -3.445  20.759  -1.215
  163    H    LYS  17           HN       LYS  17  -3.465  18.019  -8.699
  164    HA   LYS  17           HA       LYS  17  -4.355  19.078 -11.222
  165    HB2  LYS  17           HB2      LYS  17  -1.783  19.700 -11.653
  166    HB3  LYS  17           HB1      LYS  17  -2.905  20.893 -10.919
  167    HG2  LYS  17           HG2      LYS  17  -1.479  19.042  -9.003
  168    HG3  LYS  17           HG1      LYS  17  -0.463  20.240  -9.866
  169    HD2  LYS  17           HD2      LYS  17  -1.477  22.072  -8.839
  170    HD3  LYS  17           HD1      LYS  17  -3.048  21.230  -8.621
  171    HE2  LYS  17           HE2      LYS  17  -2.279  21.257  -6.391
  172    HE3  LYS  17           HE1      LYS  17  -1.580  19.680  -6.940
  173    HZ1  LYS  17           HZ1      LYS  17  -0.091  22.229  -7.204
  174    HZ2  LYS  17           HZ2      LYS  17   0.494  20.635  -7.209
  175    HZ3  LYS  17           HZ3      LYS  17  -0.080  21.323  -5.768
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1   6.922   2.452  -0.072
    2    H2   GLU   1           HT2      GLU   1   7.477   1.215  -1.096
    3    H3   GLU   1           HT3      GLU   1   5.905   1.145  -0.457
    4    HA   GLU   1           HA       GLU   1   6.971   2.715  -2.654
    5    HB2  GLU   1           HB2      GLU   1   5.470   0.667  -2.911
    6    HB3  GLU   1           HB1      GLU   1   4.174   1.584  -2.066
    7    HG2  GLU   1           HG2      GLU   1   4.178   3.310  -3.895
    8    HG3  GLU   1           HG1      GLU   1   5.496   2.408  -4.743
    9    H    MET   2           HN       MET   2   5.053   3.148   0.310
   10    HA   MET   2           HA       MET   2   4.940   5.957  -0.310
   11    HB2  MET   2           HB2      MET   2   2.415   5.814   0.708
   12    HB3  MET   2           HB1      MET   2   2.780   5.854  -1.059
   13    HG2  MET   2           HG2      MET   2   2.807   3.100   0.153
   14    HG3  MET   2           HG1      MET   2   1.225   3.936   0.189
   15    HE1  MET   2           HE1      MET   2  -0.100   2.318  -2.769
   16    HE2  MET   2           HE2      MET   2  -0.335   3.205  -1.223
   17    HE3  MET   2           HE3      MET   2   0.565   1.649  -1.238
   18    H    ARG   3           HN       ARG   3   3.909   7.145   1.640
   19    HA   ARG   3           HA       ARG   3   4.912   5.769   3.951
   20    HB2  ARG   3           HB2      ARG   3   4.524   8.759   3.619
   21    HB3  ARG   3           HB1      ARG   3   5.321   7.932   5.011
   22    HG2  ARG   3           HG2      ARG   3   6.291   8.084   2.108
   23    HG3  ARG   3           HG1      ARG   3   7.081   8.782   3.573
   24    HD2  ARG   3           HD2      ARG   3   7.384   6.406   4.473
   25    HD3  ARG   3           HD1      ARG   3   6.715   5.778   2.901
   26    HE   ARG   3           HE       ARG   3   8.938   7.649   2.480
   27   HH11  ARG   3          HH11      ARG   3   8.011   4.329   3.375
   28   HH12  ARG   3          HH12      ARG   3   9.488   3.603   2.833
   29   HH21  ARG   3          HH21      ARG   3  10.951   6.662   1.741
   30   HH22  ARG   3          HH22      ARG   3  11.187   4.953   1.889
   31    H    ILE   4           HN       ILE   4   2.191   6.477   2.319
   32    HA   ILE   4           HA       ILE   4   0.027   6.474   2.892
   33    HB   ILE   4           HB       ILE   4   0.504   5.741   5.731
   34   HG12  ILE   4          HG12      ILE   4   2.330   4.566   4.704
   35   HG13  ILE   4          HG11      ILE   4   1.044   3.378   5.084
   36   HG21  ILE   4          HG21      ILE   4  -1.787   5.814   4.859
   37   HG22  ILE   4          HG22      ILE   4  -1.356   4.077   5.089
   38   HG23  ILE   4          HG23      ILE   4  -1.342   4.798   3.436
   39   HD11  ILE   4          HD11      ILE   4   1.269   2.648   2.926
   40   HD12  ILE   4          HD12      ILE   4   2.323   4.062   2.511
   41   HD13  ILE   4          HD13      ILE   4   0.521   4.208   2.402
   42    H    SER   5           HN       SER   5   1.989   8.428   3.238
   43    HA   SER   5           HA       SER   5   0.376  10.320   4.229
   44    HB2  SER   5           HB2      SER   5   1.924  11.262   6.096
   45    HB3  SER   5           HB1      SER   5   0.984   9.793   6.568
   46    HG   SER   5           HG       SER   5   2.799   8.552   6.004
   47    H    ARG   6           HN       ARG   6   1.576   9.494   2.001
   48    HA   ARG   6           HA       ARG   6   3.218  11.712   1.420
   49    HB2  ARG   6           HB2      ARG   6   5.139  10.443   1.528
   50    HB3  ARG   6           HB1      ARG   6   4.178   8.939   1.707
   51    HG2  ARG   6           HG2      ARG   6   5.467   8.776  -0.350
   52    HG3  ARG   6           HG1      ARG   6   3.724   8.956  -0.773
   53    HD2  ARG   6           HD2      ARG   6   4.842  10.480  -2.259
   54    HD3  ARG   6           HD1      ARG   6   4.251  11.544  -0.905
   55    HE   ARG   6           HE       ARG   6   6.817  10.720  -0.106
   56   HH11  ARG   6          HH11      ARG   6   5.364  12.341  -2.922
   57   HH12  ARG   6          HH12      ARG   6   6.733  13.350  -3.245
   58   HH21  ARG   6          HH21      ARG   6   8.686  12.095  -0.546
   59   HH22  ARG   6          HH22      ARG   6   8.652  13.208  -1.872
   60    H    ILE   7           HN       ILE   7   1.439   8.672   0.625
   61    HA   ILE   7           HA       ILE   7   1.174   9.694  -2.103
   62    HB   ILE   7           HB       ILE   7  -1.086   7.981  -1.529
   63   HG12  ILE   7          HG12      ILE   7   0.429   5.893  -1.124
   64   HG13  ILE   7          HG11      ILE   7   1.572   7.109  -0.430
   65   HG21  ILE   7          HG21      ILE   7   1.486   7.619  -3.209
   66   HG22  ILE   7          HG22      ILE   7  -0.083   8.321  -3.761
   67   HG23  ILE   7          HG23      ILE   7   0.020   6.572  -3.327
   68   HD11  ILE   7          HD11      ILE   7  -1.261   7.536   0.381
   69   HD12  ILE   7          HD12      ILE   7   0.242   7.563   1.373
   70   HD13  ILE   7          HD13      ILE   7  -0.551   5.982   0.985
   71    H    ILE   8           HN       ILE   8   0.297  10.439   0.874
   72    HA   ILE   8           HA       ILE   8  -2.412  10.908   0.260
   73    HB   ILE   8           HB       ILE   8  -0.689  10.924   2.683
   74   HG12  ILE   8          HG12      ILE   8  -3.283   9.481   1.881
   75   HG13  ILE   8          HG11      ILE   8  -1.617   8.851   1.660
   76   HG21  ILE   8          HG21      ILE   8  -2.039  12.802   3.314
   77   HG22  ILE   8          HG22      ILE   8  -3.104  11.448   3.851
   78   HG23  ILE   8          HG23      ILE   8  -3.430  12.282   2.286
   79   HD11  ILE   8          HD11      ILE   8  -1.614   9.511   4.364
   80   HD12  ILE   8          HD12      ILE   8  -1.917   7.864   3.690
   81   HD13  ILE   8          HD13      ILE   8  -3.305   8.940   4.112
   82    H    LEU   9           HN       LEU   9  -0.134  11.894  -0.906
   83    HA   LEU   9           HA       LEU   9  -0.618  14.705  -1.033
   84    HB2  LEU   9           HB2      LEU   9   2.181  13.563  -0.945
   85    HB3  LEU   9           HB1      LEU   9   1.692  15.287  -0.707
   86    HG   LEU   9           HG       LEU   9   1.140  12.983   1.167
   87   HD11  LEU   9          HD11      LEU   9   3.091  15.311   1.688
   88   HD12  LEU   9          HD12      LEU   9   3.623  13.796   0.867
   89   HD13  LEU   9          HD13      LEU   9   2.973  13.731   2.551
   90   HD21  LEU   9          HD21      LEU   9  -0.377  15.133   1.017
   91   HD22  LEU   9          HD22      LEU   9   0.930  15.904   1.981
   92   HD23  LEU   9          HD23      LEU   9   0.063  14.447   2.614
   93    H    DAS  10           HN       DAS  10   0.928  11.769  -1.810
   94    HA   DAS  10           HA       DAS  10   1.537  10.930  -3.718
   95    HB2  DAS  10           HB2      DAS  10   1.057  13.423  -5.268
   96    HB3  DAS  10           HB1      DAS  10   2.357  13.431  -4.039
   97    H    PHE  11           HN       PHE  11  -1.346  12.162  -2.916
   98    HA   PHE  11           HA       PHE  11  -2.602  11.333  -5.426
   99    HB2  PHE  11           HB2      PHE  11  -4.176   9.961  -4.306
  100    HB3  PHE  11           HB1      PHE  11  -2.716   9.707  -3.277
  101    HD1  PHE  11           HD1      PHE  11  -5.983   9.899  -2.830
  102    HD2  PHE  11           HD2      PHE  11  -2.532  12.116  -1.865
  103    HE1  PHE  11           HE1      PHE  11  -7.106  10.865  -0.889
  104    HE2  PHE  11           HE2      PHE  11  -3.571  13.063  -0.023
  105    HZ   PHE  11           HZ       PHE  11  -5.920  12.466   0.564
  106    H    LEU  12           HN       LEU  12  -1.760  13.808  -3.431
  107    HA   LEU  12           HA       LEU  12  -4.364  14.883  -2.961
  108    HB2  LEU  12           HB2      LEU  12  -1.548  15.726  -2.373
  109    HB3  LEU  12           HB1      LEU  12  -2.868  16.945  -2.294
  110    HG   LEU  12           HG       LEU  12  -2.610  14.386  -0.778
  111   HD11  LEU  12          HD11      LEU  12  -2.081  15.829   1.126
  112   HD12  LEU  12          HD12      LEU  12  -2.402  17.305   0.133
  113   HD13  LEU  12          HD13      LEU  12  -1.000  16.229  -0.269
  114   HD21  LEU  12          HD21      LEU  12  -4.974  14.771  -1.102
  115   HD22  LEU  12          HD22      LEU  12  -4.795  16.535  -0.756
  116   HD23  LEU  12          HD23      LEU  12  -4.582  15.327   0.570
  117    H    PHE  13           HN       PHE  13  -1.305  15.814  -4.285
  118    HA   PHE  13           HA       PHE  13  -2.648  18.087  -5.538
  119    HB2  PHE  13           HB2      PHE  13  -0.077  17.566  -6.781
  120    HB3  PHE  13           HB1      PHE  13  -0.491  18.934  -5.698
  121    HD1  PHE  13           HD1      PHE  13   1.509  16.461  -6.329
  122    HD2  PHE  13           HD2      PHE  13  -0.769  18.130  -3.202
  123    HE1  PHE  13           HE1      PHE  13   2.775  15.217  -4.786
  124    HE2  PHE  13           HE2      PHE  13   0.534  16.883  -1.605
  125    HZ   PHE  13           HZ       PHE  13   2.282  15.429  -2.464
  126    H    LEU  14           HN       LEU  14  -1.847  14.890  -5.662
  127    HA   LEU  14           HA       LEU  14  -1.495  14.679  -8.443
  128    HB2  LEU  14           HB2      LEU  14  -1.447  12.889  -6.086
  129    HB3  LEU  14           HB1      LEU  14  -1.968  12.092  -7.626
  130    HG   LEU  14           HG       LEU  14   0.592  12.190  -6.987
  131   HD11  LEU  14          HD11      LEU  14   0.469  11.291  -9.084
  132   HD12  LEU  14          HD12      LEU  14   0.871  12.947  -9.681
  133   HD13  LEU  14          HD13      LEU  14  -0.855  12.416  -9.584
  134   HD21  LEU  14          HD21      LEU  14   0.421  14.755  -6.574
  135   HD22  LEU  14          HD22      LEU  14   0.435  14.930  -8.369
  136   HD23  LEU  14          HD23      LEU  14   1.834  14.161  -7.526
  137    H    ARG  15           HN       ARG  15  -4.048  15.060  -6.329
  138    HA   ARG  15           HA       ARG  15  -6.044  13.805  -7.943
  139    HB2  ARG  15           HB2      ARG  15  -5.583  14.716  -5.323
  140    HB3  ARG  15           HB1      ARG  15  -6.944  15.678  -5.959
  141    HG2  ARG  15           HG2      ARG  15  -8.407  13.905  -5.962
  142    HG3  ARG  15           HG1      ARG  15  -7.137  12.714  -6.418
  143    HD2  ARG  15           HD2      ARG  15  -8.234  12.913  -3.860
  144    HD3  ARG  15           HD1      ARG  15  -6.588  12.250  -4.248
  145    HE   ARG  15           HE       ARG  15  -5.682  14.033  -3.125
  146   HH11  ARG  15          HH11      ARG  15  -8.904  14.999  -4.271
  147   HH12  ARG  15          HH12      ARG  15  -8.723  16.665  -3.835
  148   HH21  ARG  15          HH21      ARG  15  -5.344  16.279  -2.719
  149   HH22  ARG  15          HH22      ARG  15  -6.641  17.415  -2.930
  150    H    LYS  16           HN       LYS  16  -4.846  16.784  -6.701
  151    HA   LYS  16           HA       LYS  16  -6.757  18.477  -7.878
  152    HB2  LYS  16           HB2      LYS  16  -4.199  18.685  -6.232
  153    HB3  LYS  16           HB1      LYS  16  -5.048  20.159  -6.817
  154    HG2  LYS  16           HG2      LYS  16  -7.011  19.649  -5.494
  155    HG3  LYS  16           HG1      LYS  16  -6.381  18.017  -5.080
  156    HD2  LYS  16           HD2      LYS  16  -4.511  18.994  -3.804
  157    HD3  LYS  16           HD1      LYS  16  -4.980  20.650  -4.327
  158    HE2  LYS  16           HE2      LYS  16  -6.851  18.833  -2.668
  159    HE3  LYS  16           HE1      LYS  16  -5.697  20.019  -1.933
  160    HZ1  LYS  16           HZ1      LYS  16  -8.244  20.465  -2.939
  161    HZ2  LYS  16           HZ2      LYS  16  -7.169  21.258  -3.987
  162    HZ3  LYS  16           HZ3      LYS  16  -7.136  21.596  -2.323
  163    H    LYS  17           HN       LYS  17  -5.000  20.555  -8.365
  164    HA   LYS  17           HA       LYS  17  -3.965  21.469  -9.983
  165    HB2  LYS  17           HB2      LYS  17  -2.263  19.084  -9.384
  166    HB3  LYS  17           HB1      LYS  17  -1.895  19.937 -10.923
  167    HG2  LYS  17           HG2      LYS  17  -0.711  21.467  -9.765
  168    HG3  LYS  17           HG1      LYS  17  -2.235  22.004  -8.977
  169    HD2  LYS  17           HD2      LYS  17  -0.781  19.554  -7.889
  170    HD3  LYS  17           HD1      LYS  17  -0.128  21.189  -7.533
  171    HE2  LYS  17           HE2      LYS  17  -3.065  20.402  -6.978
  172    HE3  LYS  17           HE1      LYS  17  -1.749  20.242  -5.754
  173    HZ1  LYS  17           HZ1      LYS  17  -3.231  22.421  -6.112
  174    HZ2  LYS  17           HZ2      LYS  17  -1.904  22.809  -7.098
  175    HZ3  LYS  17           HZ3      LYS  17  -1.663  22.427  -5.462
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1   8.559   5.448   3.544
    2    H2   GLU   1           HT2      GLU   1   9.730   6.197   2.567
    3    H3   GLU   1           HT3      GLU   1  10.154   4.862   3.528
    4    HA   GLU   1           HA       GLU   1   9.165   4.920   0.912
    5    HB2  GLU   1           HB2      GLU   1   9.998   2.712   2.872
    6    HB3  GLU   1           HB1      GLU   1   9.603   2.378   1.148
    7    HG2  GLU   1           HG2      GLU   1  11.460   3.818   0.375
    8    HG3  GLU   1           HG1      GLU   1  11.810   4.340   2.070
    9    H    MET   2           HN       MET   2   6.899   5.821   2.053
   10    HA   MET   2           HA       MET   2   5.191   3.449   1.949
   11    HB2  MET   2           HB2      MET   2   5.106   5.750   3.953
   12    HB3  MET   2           HB1      MET   2   3.617   4.839   3.531
   13    HG2  MET   2           HG2      MET   2   4.713   2.711   4.232
   14    HG3  MET   2           HG1      MET   2   6.200   3.618   4.660
   15    HE1  MET   2           HE1      MET   2   5.861   2.114   6.795
   16    HE2  MET   2           HE2      MET   2   4.198   1.583   6.364
   17    HE3  MET   2           HE3      MET   2   4.525   2.285   7.986
   18    H    ARG   3           HN       ARG   3   3.207   3.742   0.883
   19    HA   ARG   3           HA       ARG   3   3.005   6.320  -0.450
   20    HB2  ARG   3           HB2      ARG   3   1.702   5.089  -2.264
   21    HB3  ARG   3           HB1      ARG   3   3.452   4.691  -2.214
   22    HG2  ARG   3           HG2      ARG   3   1.375   3.004  -0.728
   23    HG3  ARG   3           HG1      ARG   3   1.739   2.741  -2.468
   24    HD2  ARG   3           HD2      ARG   3   4.288   2.632  -1.636
   25    HD3  ARG   3           HD1      ARG   3   3.531   2.288  -0.021
   26    HE   ARG   3           HE       ARG   3   2.277   0.593  -1.973
   27   HH11  ARG   3          HH11      ARG   3   5.420   1.181  -0.403
   28   HH12  ARG   3          HH12      ARG   3   5.944  -0.468  -0.490
   29   HH21  ARG   3          HH21      ARG   3   2.989  -1.648  -2.092
   30   HH22  ARG   3          HH22      ARG   3   4.538  -2.102  -1.467
   31    H    ILE   4           HN       ILE   4   2.196   5.871   2.073
   32    HA   ILE   4           HA       ILE   4  -0.634   6.363   1.798
   33    HB   ILE   4           HB       ILE   4  -0.437   5.032   4.230
   34   HG12  ILE   4          HG12      ILE   4   1.851   4.234   3.164
   35   HG13  ILE   4          HG11      ILE   4   0.810   3.077   4.064
   36   HG21  ILE   4          HG21      ILE   4  -1.756   3.181   2.900
   37   HG22  ILE   4          HG22      ILE   4  -1.520   4.252   1.466
   38   HG23  ILE   4          HG23      ILE   4  -2.420   4.859   2.906
   39   HD11  ILE   4          HD11      ILE   4   1.849   2.492   1.628
   40   HD12  ILE   4          HD12      ILE   4   0.362   3.342   1.063
   41   HD13  ILE   4          HD13      ILE   4   0.225   1.888   2.129
   42    H    SER   5           HN       SER   5   1.909   7.514   1.919
   43    HA   SER   5           HA       SER   5   1.605   9.210   4.218
   44    HB2  SER   5           HB2      SER   5   3.321   7.402   4.944
   45    HB3  SER   5           HB1      SER   5   4.364   8.026   3.604
   46    HG   SER   5           HG       SER   5   3.814  10.159   4.733
   47    H    ARG   6           HN       ARG   6   2.893   8.310   1.099
   48    HA   ARG   6           HA       ARG   6   3.542  11.071   0.635
   49    HB2  ARG   6           HB2      ARG   6   5.178  10.267  -0.766
   50    HB3  ARG   6           HB1      ARG   6   4.970   8.774   0.218
   51    HG2  ARG   6           HG2      ARG   6   4.730   7.867  -1.926
   52    HG3  ARG   6           HG1      ARG   6   3.008   8.243  -1.554
   53    HD2  ARG   6           HD2      ARG   6   3.569   9.037  -3.843
   54    HD3  ARG   6           HD1      ARG   6   3.272  10.461  -2.758
   55    HE   ARG   6           HE       ARG   6   5.572  11.020  -2.883
   56   HH11  ARG   6          HH11      ARG   6   4.926   7.824  -4.332
   57   HH12  ARG   6          HH12      ARG   6   6.498   7.655  -5.038
   58   HH21  ARG   6          HH21      ARG   6   7.711  10.783  -3.844
   59   HH22  ARG   6          HH22      ARG   6   8.106   9.365  -4.755
   60    H    ILE   7           HN       ILE   7   1.294   8.531   0.340
   61    HA   ILE   7           HA       ILE   7   0.283   9.366  -2.133
   62    HB   ILE   7           HB       ILE   7  -0.123   7.328  -0.169
   63   HG12  ILE   7          HG12      ILE   7   0.746   6.917  -2.318
   64   HG13  ILE   7          HG11      ILE   7  -0.880   6.109  -2.223
   65   HG21  ILE   7          HG21      ILE   7  -2.284   8.453   0.308
   66   HG22  ILE   7          HG22      ILE   7  -2.538   6.861  -0.497
   67   HG23  ILE   7          HG23      ILE   7  -2.700   8.381  -1.450
   68   HD11  ILE   7          HD11      ILE   7  -0.015   8.409  -3.854
   69   HD12  ILE   7          HD12      ILE   7  -1.442   8.813  -2.802
   70   HD13  ILE   7          HD13      ILE   7  -1.530   7.421  -3.993
   71    H    ILE   8           HN       ILE   8   0.458  10.384   0.774
   72    HA   ILE   8           HA       ILE   8  -2.210  11.232   0.767
   73    HB   ILE   8           HB       ILE   8   0.001  10.632   2.504
   74   HG12  ILE   8          HG12      ILE   8  -3.011  10.184   2.681
   75   HG13  ILE   8          HG11      ILE   8  -1.770   9.101   1.947
   76   HG21  ILE   8          HG21      ILE   8  -2.093  12.806   3.236
   77   HG22  ILE   8          HG22      ILE   8  -0.304  12.853   3.474
   78   HG23  ILE   8          HG23      ILE   8  -1.328  11.805   4.525
   79   HD11  ILE   8          HD11      ILE   8  -1.895   8.096   4.030
   80   HD12  ILE   8          HD12      ILE   8  -2.370   9.624   4.871
   81   HD13  ILE   8          HD13      ILE   8  -0.649   9.345   4.403
   82    H    LEU   9           HN       LEU   9  -0.161  11.821  -0.904
   83    HA   LEU   9           HA       LEU   9  -0.175  14.684  -1.044
   84    HB2  LEU   9           HB2      LEU   9   2.301  13.091  -1.689
   85    HB3  LEU   9           HB1      LEU   9   2.195  14.854  -1.345
   86    HG   LEU   9           HG       LEU   9   1.816  12.609   0.625
   87   HD11  LEU   9          HD11      LEU   9   4.042  13.082   1.483
   88   HD12  LEU   9          HD12      LEU   9   4.172  14.593   0.506
   89   HD13  LEU   9          HD13      LEU   9   4.207  12.987  -0.312
   90   HD21  LEU   9          HD21      LEU   9   2.289  15.470   1.496
   91   HD22  LEU   9          HD22      LEU   9   1.369  14.132   2.296
   92   HD23  LEU   9          HD23      LEU   9   0.671  14.985   0.880
   93    H    DAS  10           HN       DAS  10   0.476  11.487  -2.051
   94    HA   DAS  10           HA       DAS  10   0.351  10.532  -3.970
   95    HB2  DAS  10           HB2      DAS  10   0.071  13.033  -5.551
   96    HB3  DAS  10           HB1      DAS  10   1.582  12.823  -4.620
   97    H    PHE  11           HN       PHE  11  -1.834  12.511  -2.624
   98    HA   PHE  11           HA       PHE  11  -3.905  11.999  -4.604
   99    HB2  PHE  11           HB2      PHE  11  -5.272  10.768  -3.095
  100    HB3  PHE  11           HB1      PHE  11  -3.636  10.259  -2.516
  101    HD1  PHE  11           HD1      PHE  11  -6.579  10.928  -1.155
  102    HD2  PHE  11           HD2      PHE  11  -2.692  12.541  -1.257
  103    HE1  PHE  11           HE1      PHE  11  -6.954  12.054   0.967
  104    HE2  PHE  11           HE2      PHE  11  -3.010  13.640   0.725
  105    HZ   PHE  11           HZ       PHE  11  -5.169  13.436   1.980
  106    H    LEU  12           HN       LEU  12  -2.032  14.168  -3.236
  107    HA   LEU  12           HA       LEU  12  -4.114  15.763  -2.004
  108    HB2  LEU  12           HB2      LEU  12  -1.116  15.848  -2.135
  109    HB3  LEU  12           HB1      LEU  12  -2.017  17.371  -1.805
  110    HG   LEU  12           HG       LEU  12  -2.073  14.807  -0.277
  111   HD11  LEU  12          HD11      LEU  12  -0.000  16.228  -0.238
  112   HD12  LEU  12          HD12      LEU  12  -0.785  16.031   1.386
  113   HD13  LEU  12          HD13      LEU  12  -0.987  17.573   0.465
  114   HD21  LEU  12          HD21      LEU  12  -4.267  15.649  -0.004
  115   HD22  LEU  12          HD22      LEU  12  -3.715  17.365  -0.048
  116   HD23  LEU  12          HD23      LEU  12  -3.390  16.349   1.413
  117    H    PHE  13           HN       PHE  13  -1.337  15.945  -4.088
  118    HA   PHE  13           HA       PHE  13  -2.467  18.481  -5.078
  119    HB2  PHE  13           HB2      PHE  13  -0.316  17.698  -6.791
  120    HB3  PHE  13           HB1      PHE  13  -0.241  18.966  -5.523
  121    HD1  PHE  13           HD1      PHE  13   0.830  16.088  -6.773
  122    HD2  PHE  13           HD2      PHE  13   0.118  18.127  -3.159
  123    HE1  PHE  13           HE1      PHE  13   2.145  14.496  -5.660
  124    HE2  PHE  13           HE2      PHE  13   1.488  16.515  -2.008
  125    HZ   PHE  13           HZ       PHE  13   2.456  14.691  -3.309
  126    H    LEU  14           HN       LEU  14  -2.335  15.149  -5.308
  127    HA   LEU  14           HA       LEU  14  -2.440  14.964  -8.117
  128    HB2  LEU  14           HB2      LEU  14  -2.574  13.127  -5.793
  129    HB3  LEU  14           HB1      LEU  14  -3.581  12.587  -7.204
  130    HG   LEU  14           HG       LEU  14  -0.994  11.918  -6.978
  131   HD11  LEU  14          HD11      LEU  14  -1.904  10.986  -8.872
  132   HD12  LEU  14          HD12      LEU  14  -0.982  12.292  -9.709
  133   HD13  LEU  14          HD13      LEU  14  -2.740  12.511  -9.358
  134   HD21  LEU  14          HD21      LEU  14  -0.314  14.424  -6.839
  135   HD22  LEU  14          HD22      LEU  14  -0.654  14.501  -8.611
  136   HD23  LEU  14          HD23      LEU  14   0.614  13.384  -7.982
  137    H    ARG  15           HN       ARG  15  -4.347  16.500  -6.188
  138    HA   ARG  15           HA       ARG  15  -6.814  15.686  -7.437
  139    HB2  ARG  15           HB2      ARG  15  -5.950  16.496  -4.827
  140    HB3  ARG  15           HB1      ARG  15  -7.077  17.756  -5.448
  141    HG2  ARG  15           HG2      ARG  15  -8.857  16.446  -4.932
  142    HG3  ARG  15           HG1      ARG  15  -8.247  15.163  -6.040
  143    HD2  ARG  15           HD2      ARG  15  -6.606  15.124  -3.642
  144    HD3  ARG  15           HD1      ARG  15  -8.347  15.129  -3.135
  145    HE   ARG  15           HE       ARG  15  -8.569  12.970  -4.071
  146   HH11  ARG  15          HH11      ARG  15  -5.647  14.537  -5.338
  147   HH12  ARG  15          HH12      ARG  15  -4.980  13.080  -6.002
  148   HH21  ARG  15          HH21      ARG  15  -7.656  10.999  -4.930
  149   HH22  ARG  15          HH22      ARG  15  -6.140  11.042  -5.768
  150    H    LYS  16           HN       LYS  16  -4.373  18.069  -6.916
  151    HA   LYS  16           HA       LYS  16  -5.656  20.347  -7.834
  152    HB2  LYS  16           HB2      LYS  16  -2.757  19.417  -7.752
  153    HB3  LYS  16           HB1      LYS  16  -3.214  21.063  -8.323
  154    HG2  LYS  16           HG2      LYS  16  -4.268  21.518  -6.114
  155    HG3  LYS  16           HG1      LYS  16  -3.839  19.854  -5.581
  156    HD2  LYS  16           HD2      LYS  16  -1.445  20.337  -5.853
  157    HD3  LYS  16           HD1      LYS  16  -1.820  21.978  -6.484
  158    HE2  LYS  16           HE2      LYS  16  -2.836  22.598  -4.263
  159    HE3  LYS  16           HE1      LYS  16  -2.460  20.938  -3.638
  160    HZ1  LYS  16           HZ1      LYS  16  -0.827  23.177  -3.689
  161    HZ2  LYS  16           HZ2      LYS  16  -0.159  22.080  -4.801
  162    HZ3  LYS  16           HZ3      LYS  16  -0.438  21.600  -3.195
  163    H    LYS  17           HN       LYS  17  -3.862  17.703  -9.359
  164    HA   LYS  17           HA       LYS  17  -4.355  18.967 -11.919
  165    HB2  LYS  17           HB2      LYS  17  -2.727  16.461 -11.234
  166    HB3  LYS  17           HB1      LYS  17  -2.927  17.128 -12.893
  167    HG2  LYS  17           HG2      LYS  17  -1.262  18.622 -12.582
  168    HG3  LYS  17           HG1      LYS  17  -2.016  19.241 -11.072
  169    HD2  LYS  17           HD2      LYS  17  -0.658  16.552 -10.880
  170    HD3  LYS  17           HD1      LYS  17   0.414  17.964 -11.175
  171    HE2  LYS  17           HE2      LYS  17  -1.580  18.608  -9.075
  172    HE3  LYS  17           HE1      LYS  17  -0.660  17.102  -8.659
  173    HZ1  LYS  17           HZ1      LYS  17   0.315  19.320  -7.997
  174    HZ2  LYS  17           HZ2      LYS  17   0.692  19.560  -9.634
  175    HZ3  LYS  17           HZ3      LYS  17   1.348  18.236  -8.798
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1   8.765   3.962   2.748
    2    H2   GLU   1           HT2      GLU   1  10.242   4.772   2.528
    3    H3   GLU   1           HT3      GLU   1   9.440   4.092   1.193
    4    HA   GLU   1           HA       GLU   1   8.997   6.583   2.572
    5    HB2  GLU   1           HB2      GLU   1   9.826   6.303   0.172
    6    HB3  GLU   1           HB1      GLU   1   8.220   5.602  -0.236
    7    HG2  GLU   1           HG2      GLU   1   7.087   7.743   0.368
    8    HG3  GLU   1           HG1      GLU   1   8.670   8.458   0.874
    9    H    MET   2           HN       MET   2   7.085   3.807   1.324
   10    HA   MET   2           HA       MET   2   5.020   3.163   1.793
   11    HB2  MET   2           HB2      MET   2   5.478   4.967   4.038
   12    HB3  MET   2           HB1      MET   2   3.813   5.223   3.412
   13    HG2  MET   2           HG2      MET   2   3.622   3.541   5.088
   14    HG3  MET   2           HG1      MET   2   3.480   2.692   3.516
   15    HE1  MET   2           HE1      MET   2   6.714   2.515   6.763
   16    HE2  MET   2           HE2      MET   2   5.199   3.478   6.657
   17    HE3  MET   2           HE3      MET   2   6.665   4.005   5.758
   18    H    ARG   3           HN       ARG   3   2.882   3.531   0.972
   19    HA   ARG   3           HA       ARG   3   2.728   6.028  -0.514
   20    HB2  ARG   3           HB2      ARG   3   1.257   4.822  -2.173
   21    HB3  ARG   3           HB1      ARG   3   2.954   4.238  -2.179
   22    HG2  ARG   3           HG2      ARG   3   0.792   2.872  -0.498
   23    HG3  ARG   3           HG1      ARG   3   1.031   2.476  -2.234
   24    HD2  ARG   3           HD2      ARG   3   3.586   2.117  -1.540
   25    HD3  ARG   3           HD1      ARG   3   2.911   1.984   0.142
   26    HE   ARG   3           HE       ARG   3   1.331   0.310  -1.568
   27   HH11  ARG   3          HH11      ARG   3   4.650   0.632  -0.317
   28   HH12  ARG   3          HH12      ARG   3   4.981  -1.068  -0.323
   29   HH21  ARG   3          HH21      ARG   3   1.781  -2.001  -1.577
   30   HH22  ARG   3          HH22      ARG   3   3.323  -2.589  -1.052
   31    H    ILE   4           HN       ILE   4   2.077   5.754   2.100
   32    HA   ILE   4           HA       ILE   4  -0.728   6.431   1.975
   33    HB   ILE   4           HB       ILE   4  -0.416   5.190   4.464
   34   HG12  ILE   4          HG12      ILE   4   1.669   4.143   3.232
   35   HG13  ILE   4          HG11      ILE   4   0.599   3.105   4.240
   36   HG21  ILE   4          HG21      ILE   4  -2.044   3.451   3.364
   37   HG22  ILE   4          HG22      ILE   4  -1.842   4.421   1.854
   38   HG23  ILE   4          HG23      ILE   4  -2.530   5.188   3.334
   39   HD11  ILE   4          HD11      ILE   4  -0.170   3.347   1.326
   40   HD12  ILE   4          HD12      ILE   4  -0.178   1.902   2.409
   41   HD13  ILE   4          HD13      ILE   4   1.366   2.475   1.674
   42    H    SER   5           HN       SER   5   1.910   7.398   1.903
   43    HA   SER   5           HA       SER   5   1.829   9.211   4.135
   44    HB2  SER   5           HB2      SER   5   4.355   7.592   3.486
   45    HB3  SER   5           HB1      SER   5   4.307   9.026   4.590
   46    HG   SER   5           HG       SER   5   2.388   7.303   5.283
   47    H    ARG   6           HN       ARG   6   2.841   8.119   0.992
   48    HA   ARG   6           HA       ARG   6   3.658  10.808   0.389
   49    HB2  ARG   6           HB2      ARG   6   5.166   9.851  -1.059
   50    HB3  ARG   6           HB1      ARG   6   4.919   8.411  -0.008
   51    HG2  ARG   6           HG2      ARG   6   4.515   7.446  -2.104
   52    HG3  ARG   6           HG1      ARG   6   2.840   7.934  -1.653
   53    HD2  ARG   6           HD2      ARG   6   3.308   8.617  -3.995
   54    HD3  ARG   6           HD1      ARG   6   3.167  10.095  -2.951
   55    HE   ARG   6           HE       ARG   6   5.495  10.486  -3.210
   56   HH11  ARG   6          HH11      ARG   6   4.529   7.332  -4.570
   57   HH12  ARG   6          HH12      ARG   6   6.032   7.051  -5.384
   58   HH21  ARG   6          HH21      ARG   6   7.537  10.097  -4.313
   59   HH22  ARG   6          HH22      ARG   6   7.770   8.650  -5.234
   60    H    ILE   7           HN       ILE   7   1.244   8.400   0.309
   61    HA   ILE   7           HA       ILE   7   0.166   9.202  -2.146
   62    HB   ILE   7           HB       ILE   7  -0.278   7.276  -0.076
   63   HG12  ILE   7          HG12      ILE   7   0.467   6.714  -2.236
   64   HG13  ILE   7          HG11      ILE   7  -1.205   6.025  -2.040
   65   HG21  ILE   7          HG21      ILE   7  -2.833   8.447  -1.301
   66   HG22  ILE   7          HG22      ILE   7  -2.341   8.563   0.433
   67   HG23  ILE   7          HG23      ILE   7  -2.733   6.960  -0.287
   68   HD11  ILE   7          HD11      ILE   7  -1.837   7.305  -3.843
   69   HD12  ILE   7          HD12      ILE   7  -0.254   8.188  -3.806
   70   HD13  ILE   7          HD13      ILE   7  -1.611   8.730  -2.721
   71    H    ILE   8           HN       ILE   8   0.537  10.313   0.713
   72    HA   ILE   8           HA       ILE   8  -2.072  11.321   0.786
   73    HB   ILE   8           HB       ILE   8   0.182  10.661   2.445
   74   HG12  ILE   8          HG12      ILE   8  -2.840  10.385   2.776
   75   HG13  ILE   8          HG11      ILE   8  -1.695   9.210   2.026
   76   HG21  ILE   8          HG21      ILE   8   0.039  12.928   3.343
   77   HG22  ILE   8          HG22      ILE   8  -0.997  11.980   4.475
   78   HG23  ILE   8          HG23      ILE   8  -1.757  12.975   3.178
   79   HD11  ILE   8          HD11      ILE   8  -2.160   9.832   4.944
   80   HD12  ILE   8          HD12      ILE   8  -0.455   9.521   4.438
   81   HD13  ILE   8          HD13      ILE   8  -1.726   8.277   4.132
   82    H    LEU   9           HN       LEU   9  -0.075  11.724  -0.999
   83    HA   LEU   9           HA       LEU   9   0.069  14.575  -1.255
   84    HB2  LEU   9           HB2      LEU   9   2.418  12.814  -1.938
   85    HB3  LEU   9           HB1      LEU   9   2.430  14.591  -1.661
   86    HG   LEU   9           HG       LEU   9   2.009  12.449   0.413
   87   HD11  LEU   9          HD11      LEU   9   4.467  14.284   0.109
   88   HD12  LEU   9          HD12      LEU   9   4.373  12.645  -0.636
   89   HD13  LEU   9          HD13      LEU   9   4.294  12.828   1.159
   90   HD21  LEU   9          HD21      LEU   9   1.706  14.058   2.031
   91   HD22  LEU   9          HD22      LEU   9   1.023  14.906   0.606
   92   HD23  LEU   9          HD23      LEU   9   2.689  15.301   1.159
   93    H    DAS  10           HN       DAS  10   0.487  11.310  -2.158
   94    HA   DAS  10           HA       DAS  10   0.217  10.288  -4.027
   95    HB2  DAS  10           HB2      DAS  10   0.016  12.746  -5.688
   96    HB3  DAS  10           HB1      DAS  10   1.559  12.452  -4.836
   97    H    PHE  11           HN       PHE  11  -1.781  12.442  -2.668
   98    HA   PHE  11           HA       PHE  11  -3.967  11.980  -4.532
   99    HB2  PHE  11           HB2      PHE  11  -5.331  10.889  -2.917
  100    HB3  PHE  11           HB1      PHE  11  -3.702  10.309  -2.385
  101    HD1  PHE  11           HD1      PHE  11  -6.542  11.209  -0.937
  102    HD2  PHE  11           HD2      PHE  11  -2.573  12.575  -1.263
  103    HE1  PHE  11           HE1      PHE  11  -6.756  12.442   1.148
  104    HE2  PHE  11           HE2      PHE  11  -2.739  13.772   0.679
  105    HZ   PHE  11           HZ       PHE  11  -4.849  13.751   2.029
  106    H    LEU  12           HN       LEU  12  -1.909  14.083  -3.339
  107    HA   LEU  12           HA       LEU  12  -3.837  15.844  -2.085
  108    HB2  LEU  12           HB2      LEU  12  -0.850  15.746  -2.354
  109    HB3  LEU  12           HB1      LEU  12  -1.644  17.334  -2.057
  110    HG   LEU  12           HG       LEU  12  -1.781  14.846  -0.410
  111   HD11  LEU  12          HD11      LEU  12   0.372  16.141  -0.532
  112   HD12  LEU  12          HD12      LEU  12  -0.343  16.048   1.134
  113   HD13  LEU  12          HD13      LEU  12  -0.500  17.567   0.166
  114   HD21  LEU  12          HD21      LEU  12  -3.907  15.838  -0.089
  115   HD22  LEU  12          HD22      LEU  12  -3.247  17.513  -0.214
  116   HD23  LEU  12          HD23      LEU  12  -2.926  16.524   1.265
  117    H    PHE  13           HN       PHE  13  -1.155  15.789  -4.291
  118    HA   PHE  13           HA       PHE  13  -2.161  18.346  -5.334
  119    HB2  PHE  13           HB2      PHE  13  -0.171  17.306  -7.120
  120    HB3  PHE  13           HB1      PHE  13   0.053  18.650  -5.950
  121    HD1  PHE  13           HD1      PHE  13   0.905  15.659  -7.069
  122    HD2  PHE  13           HD2      PHE  13   0.456  17.901  -3.533
  123    HE1  PHE  13           HE1      PHE  13   2.177  14.043  -5.933
  124    HE2  PHE  13           HE2      PHE  13   1.783  16.268  -2.357
  125    HZ   PHE  13           HZ       PHE  13   2.597  14.333  -3.608
  126    H    LEU  14           HN       LEU  14  -2.235  15.011  -5.445
  127    HA   LEU  14           HA       LEU  14  -2.551  14.723  -8.220
  128    HB2  LEU  14           HB2      LEU  14  -2.646  12.995  -5.808
  129    HB3  LEU  14           HB1      LEU  14  -3.751  12.454  -7.144
  130    HG   LEU  14           HG       LEU  14  -1.203  11.652  -7.026
  131   HD11  LEU  14          HD11      LEU  14  -1.288  11.936  -9.759
  132   HD12  LEU  14          HD12      LEU  14  -3.010  12.299  -9.351
  133   HD13  LEU  14          HD13      LEU  14  -2.273  10.729  -8.846
  134   HD21  LEU  14          HD21      LEU  14  -0.397  14.128  -6.987
  135   HD22  LEU  14          HD22      LEU  14  -0.795  14.165  -8.748
  136   HD23  LEU  14          HD23      LEU  14   0.438  13.006  -8.124
  137    H    ARG  15           HN       ARG  15  -4.257  16.356  -6.107
  138    HA   ARG  15           HA       ARG  15  -6.826  15.711  -7.253
  139    HB2  ARG  15           HB2      ARG  15  -5.820  16.289  -4.647
  140    HB3  ARG  15           HB1      ARG  15  -6.850  17.683  -5.135
  141    HG2  ARG  15           HG2      ARG  15  -8.749  16.503  -4.719
  142    HG3  ARG  15           HG1      ARG  15  -8.224  15.190  -5.836
  143    HD2  ARG  15           HD2      ARG  15  -6.636  15.070  -3.382
  144    HD3  ARG  15           HD1      ARG  15  -8.397  15.084  -2.964
  145    HE   ARG  15           HE       ARG  15  -8.576  12.934  -3.917
  146   HH11  ARG  15          HH11      ARG  15  -5.667  14.541  -5.178
  147   HH12  ARG  15          HH12      ARG  15  -5.007  13.107  -5.890
  148   HH21  ARG  15          HH21      ARG  15  -7.666  10.991  -4.850
  149   HH22  ARG  15          HH22      ARG  15  -6.159  11.064  -5.700
  150    H    LYS  16           HN       LYS  16  -4.312  18.007  -6.603
  151    HA   LYS  16           HA       LYS  16  -5.542  20.353  -7.407
  152    HB2  LYS  16           HB2      LYS  16  -2.667  19.343  -7.397
  153    HB3  LYS  16           HB1      LYS  16  -3.083  21.033  -7.874
  154    HG2  LYS  16           HG2      LYS  16  -4.095  21.405  -5.634
  155    HG3  LYS  16           HG1      LYS  16  -3.730  19.702  -5.188
  156    HD2  LYS  16           HD2      LYS  16  -1.304  20.124  -5.483
  157    HD3  LYS  16           HD1      LYS  16  -1.648  21.821  -5.961
  158    HE2  LYS  16           HE2      LYS  16  -2.370  20.590  -3.213
  159    HE3  LYS  16           HE1      LYS  16  -0.910  21.613  -3.543
  160    HZ1  LYS  16           HZ1      LYS  16  -2.197  23.315  -3.114
  161    HZ2  LYS  16           HZ2      LYS  16  -3.609  22.372  -3.082
  162    HZ3  LYS  16           HZ3      LYS  16  -3.048  23.011  -4.551
  163    H    LYS  17           HN       LYS  17  -3.836  17.737  -9.046
  164    HA   LYS  17           HA       LYS  17  -4.207  19.148 -11.549
  165    HB2  LYS  17           HB2      LYS  17  -2.452  16.855 -10.632
  166    HB3  LYS  17           HB1      LYS  17  -2.940  16.903 -12.364
  167    HG2  LYS  17           HG2      LYS  17  -1.353  18.443 -12.801
  168    HG3  LYS  17           HG1      LYS  17  -2.101  19.574 -11.619
  169    HD2  LYS  17           HD2      LYS  17  -0.062  17.364 -10.947
  170    HD3  LYS  17           HD1      LYS  17   0.309  19.113 -11.126
  171    HE2  LYS  17           HE2      LYS  17  -1.809  19.114  -9.226
  172    HE3  LYS  17           HE1      LYS  17  -0.858  17.633  -8.804
  173    HZ1  LYS  17           HZ1      LYS  17   0.439  20.251  -9.321
  174    HZ2  LYS  17           HZ2      LYS  17   1.059  18.889  -8.521
  175    HZ3  LYS  17           HZ3      LYS  17  -0.163  19.818  -7.795
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1   8.502   4.776   1.122
    2    H2   GLU   1           HT2      GLU   1  10.153   4.421   1.302
    3    H3   GLU   1           HT3      GLU   1   9.459   5.695   2.183
    4    HA   GLU   1           HA       GLU   1   9.524   2.893   2.726
    5    HB2  GLU   1           HB2      GLU   1  10.453   4.703   4.214
    6    HB3  GLU   1           HB1      GLU   1   8.787   5.352   4.418
    7    HG2  GLU   1           HG2      GLU   1   8.067   3.226   5.535
    8    HG3  GLU   1           HG1      GLU   1   9.719   2.531   5.295
    9    H    MET   2           HN       MET   2   6.969   5.462   2.578
   10    HA   MET   2           HA       MET   2   5.042   3.275   2.601
   11    HB2  MET   2           HB2      MET   2   5.208   5.547   4.562
   12    HB3  MET   2           HB1      MET   2   3.582   5.256   3.852
   13    HG2  MET   2           HG2      MET   2   3.784   2.820   4.529
   14    HG3  MET   2           HG1      MET   2   5.326   3.215   5.355
   15    HE1  MET   2           HE1      MET   2   4.590   5.170   8.415
   16    HE2  MET   2           HE2      MET   2   5.141   5.834   6.838
   17    HE3  MET   2           HE3      MET   2   5.709   4.216   7.380
   18    H    ARG   3           HN       ARG   3   3.150   3.691   1.385
   19    HA   ARG   3           HA       ARG   3   3.361   6.099  -0.240
   20    HB2  ARG   3           HB2      ARG   3   2.529   3.253  -0.919
   21    HB3  ARG   3           HB1      ARG   3   1.796   4.633  -1.816
   22    HG2  ARG   3           HG2      ARG   3   3.683   4.038  -3.123
   23    HG3  ARG   3           HG1      ARG   3   4.195   5.482  -2.172
   24    HD2  ARG   3           HD2      ARG   3   5.502   4.157  -0.629
   25    HD3  ARG   3           HD1      ARG   3   4.779   2.602  -1.233
   26    HE   ARG   3           HE       ARG   3   6.036   3.924  -3.453
   27   HH11  ARG   3          HH11      ARG   3   6.805   2.397  -0.329
   28   HH12  ARG   3          HH12      ARG   3   8.384   1.867  -0.801
   29   HH21  ARG   3          HH21      ARG   3   8.186   3.201  -4.097
   30   HH22  ARG   3          HH22      ARG   3   9.182   2.333  -2.979
   31    H    ILE   4           HN       ILE   4   2.460   5.950   2.259
   32    HA   ILE   4           HA       ILE   4  -0.350   6.609   1.885
   33    HB   ILE   4           HB       ILE   4   0.101   5.528   4.534
   34   HG12  ILE   4          HG12      ILE   4   1.865   4.208   3.194
   35   HG13  ILE   4          HG11      ILE   4   0.675   3.262   4.153
   36   HG21  ILE   4          HG21      ILE   4  -1.880   4.034   3.713
   37   HG22  ILE   4          HG22      ILE   4  -1.751   4.929   2.151
   38   HG23  ILE   4          HG23      ILE   4  -2.127   5.821   3.673
   39   HD11  ILE   4          HD11      ILE   4   1.311   2.905   1.414
   40   HD12  ILE   4          HD12      ILE   4  -0.279   3.753   1.377
   41   HD13  ILE   4          HD13      ILE   4  -0.108   2.196   2.279
   42    H    SER   5           HN       SER   5   2.298   7.707   1.940
   43    HA   SER   5           HA       SER   5   1.843   9.828   3.756
   44    HB2  SER   5           HB2      SER   5   4.101   9.761   4.878
   45    HB3  SER   5           HB1      SER   5   3.127   8.310   5.342
   46    HG   SER   5           HG       SER   5   5.168   8.517   3.377
   47    H    ARG   6           HN       ARG   6   1.828   9.092   1.022
   48    HA   ARG   6           HA       ARG   6   3.533  11.053   0.028
   49    HB2  ARG   6           HB2      ARG   6   5.252   9.744  -0.670
   50    HB3  ARG   6           HB1      ARG   6   4.464   8.336   0.121
   51    HG2  ARG   6           HG2      ARG   6   4.721   7.670  -2.144
   52    HG3  ARG   6           HG1      ARG   6   3.003   8.164  -2.007
   53    HD2  ARG   6           HD2      ARG   6   3.746   9.222  -4.034
   54    HD3  ARG   6           HD1      ARG   6   3.814  10.534  -2.781
   55    HE   ARG   6           HE       ARG   6   6.175  10.506  -2.899
   56   HH11  ARG   6          HH11      ARG   6   4.768   7.722  -4.627
   57   HH12  ARG   6          HH12      ARG   6   6.259   7.227  -5.356
   58   HH21  ARG   6          HH21      ARG   6   8.198   9.830  -3.895
   59   HH22  ARG   6          HH22      ARG   6   8.240   8.445  -4.932
   60    H    ILE   7           HN       ILE   7   1.084   8.490  -0.117
   61    HA   ILE   7           HA       ILE   7   0.097   9.350  -2.694
   62    HB   ILE   7           HB       ILE   7  -0.782   7.505  -0.507
   63   HG12  ILE   7          HG12      ILE   7  -0.597   5.835  -2.077
   64   HG13  ILE   7          HG11      ILE   7  -0.773   6.990  -3.459
   65   HG21  ILE   7          HG21      ILE   7  -2.887   8.592  -0.887
   66   HG22  ILE   7          HG22      ILE   7  -2.949   7.063  -1.848
   67   HG23  ILE   7          HG23      ILE   7  -2.629   8.633  -2.678
   68   HD11  ILE   7          HD11      ILE   7   1.466   7.173  -1.422
   69   HD12  ILE   7          HD12      ILE   7   1.342   7.999  -3.025
   70   HD13  ILE   7          HD13      ILE   7   1.639   6.210  -2.956
   71    H    ILE   8           HN       ILE   8   0.450  10.302   0.210
   72    HA   ILE   8           HA       ILE   8  -2.087  11.330   0.428
   73    HB   ILE   8           HB       ILE   8   0.186  10.538   2.033
   74   HG12  ILE   8          HG12      ILE   8  -2.869  10.374   2.308
   75   HG13  ILE   8          HG11      ILE   8  -1.755   9.160   1.575
   76   HG21  ILE   8          HG21      ILE   8  -0.884  11.819   4.112
   77   HG22  ILE   8          HG22      ILE   8  -1.729  12.851   2.898
   78   HG23  ILE   8          HG23      ILE   8   0.076  12.819   2.959
   79   HD11  ILE   8          HD11      ILE   8  -0.681   9.629   4.158
   80   HD12  ILE   8          HD12      ILE   8  -1.622   8.187   3.616
   81   HD13  ILE   8          HD13      ILE   8  -2.465   9.572   4.410
   82    H    LEU   9           HN       LEU   9  -0.164  11.809  -1.390
   83    HA   LEU   9           HA       LEU   9  -0.005  14.649  -1.559
   84    HB2  LEU   9           HB2      LEU   9   2.383  12.932  -2.223
   85    HB3  LEU   9           HB1      LEU   9   2.360  14.713  -1.940
   86    HG   LEU   9           HG       LEU   9   1.960  12.551   0.121
   87   HD11  LEU   9          HD11      LEU   9   4.232  12.928   0.872
   88   HD12  LEU   9          HD12      LEU   9   4.379  14.447  -0.091
   89   HD13  LEU   9          HD13      LEU   9   4.340  12.851  -0.930
   90   HD21  LEU   9          HD21      LEU   9   2.571  15.418   0.872
   91   HD22  LEU   9          HD22      LEU   9   1.647  14.137   1.759
   92   HD23  LEU   9          HD23      LEU   9   0.917  14.960   0.345
   93    H    DAS  10           HN       DAS  10   0.485  11.404  -2.510
   94    HA   DAS  10           HA       DAS  10   0.263  10.405  -4.397
   95    HB2  DAS  10           HB2      DAS  10   0.055  12.906  -6.002
   96    HB3  DAS  10           HB1      DAS  10   1.595  12.575  -5.158
   97    H    PHE  11           HN       PHE  11  -1.801  12.467  -3.032
   98    HA   PHE  11           HA       PHE  11  -3.926  11.995  -4.979
   99    HB2  PHE  11           HB2      PHE  11  -5.380  11.039  -3.371
  100    HB3  PHE  11           HB1      PHE  11  -3.787  10.406  -2.802
  101    HD1  PHE  11           HD1      PHE  11  -6.608  11.372  -1.411
  102    HD2  PHE  11           HD2      PHE  11  -2.612  12.686  -1.667
  103    HE1  PHE  11           HE1      PHE  11  -6.819  12.540   0.720
  104    HE2  PHE  11           HE2      PHE  11  -2.782  13.812   0.337
  105    HZ   PHE  11           HZ       PHE  11  -4.903  13.789   1.649
  106    H    LEU  12           HN       LEU  12  -1.910  14.116  -3.524
  107    HA   LEU  12           HA       LEU  12  -3.896  15.880  -2.431
  108    HB2  LEU  12           HB2      LEU  12  -0.901  15.877  -2.649
  109    HB3  LEU  12           HB1      LEU  12  -1.770  17.416  -2.305
  110    HG   LEU  12           HG       LEU  12  -1.813  14.867  -0.746
  111   HD11  LEU  12          HD11      LEU  12  -0.430  16.086   0.853
  112   HD12  LEU  12          HD12      LEU  12  -0.613  17.610  -0.101
  113   HD13  LEU  12          HD13      LEU  12   0.297  16.207  -0.802
  114   HD21  LEU  12          HD21      LEU  12  -3.036  16.319   1.002
  115   HD22  LEU  12          HD22      LEU  12  -3.990  15.867  -0.465
  116   HD23  LEU  12          HD23      LEU  12  -3.285  17.522  -0.322
  117    H    PHE  13           HN       PHE  13  -1.162  15.880  -4.588
  118    HA   PHE  13           HA       PHE  13  -2.191  18.428  -5.601
  119    HB2  PHE  13           HB2      PHE  13  -0.269  17.319  -7.452
  120    HB3  PHE  13           HB1      PHE  13  -0.021  18.716  -6.346
  121    HD1  PHE  13           HD1      PHE  13   0.909  15.729  -7.361
  122    HD2  PHE  13           HD2      PHE  13   0.348  18.040  -3.884
  123    HE1  PHE  13           HE1      PHE  13   2.191  14.170  -6.163
  124    HE2  PHE  13           HE2      PHE  13   1.692  16.462  -2.645
  125    HZ   PHE  13           HZ       PHE  13   2.563  14.533  -3.837
  126    H    LEU  14           HN       LEU  14  -2.300  15.122  -5.696
  127    HA   LEU  14           HA       LEU  14  -2.779  14.825  -8.453
  128    HB2  LEU  14           HB2      LEU  14  -2.641  13.101  -6.052
  129    HB3  LEU  14           HB1      LEU  14  -3.778  12.506  -7.331
  130    HG   LEU  14           HG       LEU  14  -1.218  11.813  -7.384
  131   HD11  LEU  14          HD11      LEU  14  -2.272  10.962  -9.242
  132   HD12  LEU  14          HD12      LEU  14  -1.453  12.319 -10.106
  133   HD13  LEU  14          HD13      LEU  14  -3.168  12.498  -9.563
  134   HD21  LEU  14          HD21      LEU  14   0.336  13.298  -8.439
  135   HD22  LEU  14          HD22      LEU  14  -0.511  14.312  -7.211
  136   HD23  LEU  14          HD23      LEU  14  -0.961  14.443  -8.954
  137    H    ARG  15           HN       ARG  15  -4.429  16.067  -5.894
  138    HA   ARG  15           HA       ARG  15  -7.067  15.441  -6.781
  139    HB2  ARG  15           HB2      ARG  15  -5.661  16.119  -4.495
  140    HB3  ARG  15           HB1      ARG  15  -6.620  17.579  -4.860
  141    HG2  ARG  15           HG2      ARG  15  -8.621  16.579  -4.308
  142    HG3  ARG  15           HG1      ARG  15  -8.112  14.964  -4.927
  143    HD2  ARG  15           HD2      ARG  15  -8.274  15.552  -2.226
  144    HD3  ARG  15           HD1      ARG  15  -7.125  14.341  -2.947
  145    HE   ARG  15           HE       ARG  15  -5.400  15.689  -2.256
  146   HH11  ARG  15          HH11      ARG  15  -8.235  17.768  -2.799
  147   HH12  ARG  15          HH12      ARG  15  -7.375  19.252  -2.564
  148   HH21  ARG  15          HH21      ARG  15  -4.201  17.658  -2.133
  149   HH22  ARG  15          HH22      ARG  15  -5.019  19.191  -2.179
  150    H    LYS  16           HN       LYS  16  -4.786  17.953  -6.184
  151    HA   LYS  16           HA       LYS  16  -6.212  20.187  -6.919
  152    HB2  LYS  16           HB2      LYS  16  -3.304  19.415  -6.799
  153    HB3  LYS  16           HB1      LYS  16  -3.798  21.103  -7.207
  154    HG2  LYS  16           HG2      LYS  16  -4.963  21.276  -5.012
  155    HG3  LYS  16           HG1      LYS  16  -4.513  19.575  -4.638
  156    HD2  LYS  16           HD2      LYS  16  -2.106  20.155  -4.787
  157    HD3  LYS  16           HD1      LYS  16  -2.531  21.847  -5.208
  158    HE2  LYS  16           HE2      LYS  16  -3.315  20.462  -2.550
  159    HE3  LYS  16           HE1      LYS  16  -1.887  21.557  -2.763
  160    HZ1  LYS  16           HZ1      LYS  16  -4.313  22.689  -3.773
  161    HZ2  LYS  16           HZ2      LYS  16  -3.186  23.308  -2.665
  162    HZ3  LYS  16           HZ3      LYS  16  -4.430  22.286  -2.128
  163    H    LYS  17           HN       LYS  17  -3.931  18.120  -8.745
  164    HA   LYS  17           HA       LYS  17  -5.145  19.268 -11.098
  165    HB2  LYS  17           HB2      LYS  17  -2.674  19.027 -12.160
  166    HB3  LYS  17           HB1      LYS  17  -3.221  20.555 -11.394
  167    HG2  LYS  17           HG2      LYS  17  -1.961  18.538  -9.541
  168    HG3  LYS  17           HG1      LYS  17  -0.878  19.256 -10.773
  169    HD2  LYS  17           HD2      LYS  17  -1.158  21.457  -9.945
  170    HD3  LYS  17           HD1      LYS  17  -2.699  21.063  -9.112
  171    HE2  LYS  17           HE2      LYS  17  -1.589  20.018  -7.263
  172    HE3  LYS  17           HE1      LYS  17  -0.070  19.737  -8.216
  173    HZ1  LYS  17           HZ1      LYS  17  -0.249  21.653  -6.507
  174    HZ2  LYS  17           HZ2      LYS  17  -1.013  22.490  -7.771
  175    HZ3  LYS  17           HZ3      LYS  17   0.561  21.889  -7.980
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1   8.602   5.189   0.033
    2    H2   GLU   1           HT2      GLU   1  10.219   4.768  -0.272
    3    H3   GLU   1           HT3      GLU   1   9.861   6.084   0.740
    4    HA   GLU   1           HA       GLU   1  10.151   3.367   1.378
    5    HB2  GLU   1           HB2      GLU   1  11.122   5.346   2.609
    6    HB3  GLU   1           HB1      GLU   1   9.457   5.821   3.097
    7    HG2  GLU   1           HG2      GLU   1   9.199   3.687   4.389
    8    HG3  GLU   1           HG1      GLU   1  10.853   3.168   3.875
    9    H    MET   2           HN       MET   2   7.379   5.685   1.761
   10    HA   MET   2           HA       MET   2   5.650   3.357   1.996
   11    HB2  MET   2           HB2      MET   2   6.003   5.467   4.128
   12    HB3  MET   2           HB1      MET   2   4.313   5.016   3.700
   13    HG2  MET   2           HG2      MET   2   4.808   2.625   4.152
   14    HG3  MET   2           HG1      MET   2   6.512   3.026   4.553
   15    HE1  MET   2           HE1      MET   2   6.654   5.513   6.381
   16    HE2  MET   2           HE2      MET   2   7.425   3.888   6.408
   17    HE3  MET   2           HE3      MET   2   6.657   4.543   7.895
   18    H    ARG   3           HN       ARG   3   3.441   3.879   1.833
   19    HA   ARG   3           HA       ARG   3   3.012   6.230   0.249
   20    HB2  ARG   3           HB2      ARG   3   1.860   3.407   0.283
   21    HB3  ARG   3           HB1      ARG   3   0.679   4.737   0.072
   22    HG2  ARG   3           HG2      ARG   3   1.364   3.867  -2.109
   23    HG3  ARG   3           HG1      ARG   3   1.943   5.559  -1.911
   24    HD2  ARG   3           HD2      ARG   3   4.225   4.829  -1.487
   25    HD3  ARG   3           HD1      ARG   3   3.708   3.093  -1.337
   26    HE   ARG   3           HE       ARG   3   2.884   3.998  -3.920
   27   HH11  ARG   3          HH11      ARG   3   5.853   3.496  -2.019
   28   HH12  ARG   3          HH12      ARG   3   6.856   3.153  -3.387
   29   HH21  ARG   3          HH21      ARG   3   4.248   3.529  -5.783
   30   HH22  ARG   3          HH22      ARG   3   5.927   3.172  -5.564
   31    H    ILE   4           HN       ILE   4   0.199   5.910   1.220
   32    HA   ILE   4           HA       ILE   4  -1.015   6.621   2.873
   33    HB   ILE   4           HB       ILE   4  -0.026   5.608   5.251
   34   HG12  ILE   4          HG12      ILE   4   1.743   4.396   3.913
   35   HG13  ILE   4          HG11      ILE   4   0.689   3.348   4.899
   36   HG21  ILE   4          HG21      ILE   4  -2.354   5.543   4.671
   37   HG22  ILE   4          HG22      ILE   4  -1.848   3.814   4.775
   38   HG23  ILE   4          HG23      ILE   4  -2.045   4.601   3.163
   39   HD11  ILE   4          HD11      ILE   4  -0.130   2.236   3.054
   40   HD12  ILE   4          HD12      ILE   4   1.352   2.892   2.253
   41   HD13  ILE   4          HD13      ILE   4  -0.231   3.741   2.061
   42    H    SER   5           HN       SER   5   1.798   7.688   2.337
   43    HA   SER   5           HA       SER   5   1.498   9.895   3.958
   44    HB2  SER   5           HB2      SER   5   3.810   7.995   4.587
   45    HB3  SER   5           HB1      SER   5   3.943   9.771   4.905
   46    HG   SER   5           HG       SER   5   1.687   8.392   5.834
   47    H    ARG   6           HN       ARG   6   1.408   9.006   1.302
   48    HA   ARG   6           HA       ARG   6   3.244  10.780   0.218
   49    HB2  ARG   6           HB2      ARG   6   4.893   9.332  -0.347
   50    HB3  ARG   6           HB1      ARG   6   3.982   8.004   0.440
   51    HG2  ARG   6           HG2      ARG   6   4.293   7.297  -1.828
   52    HG3  ARG   6           HG1      ARG   6   2.580   7.840  -1.731
   53    HD2  ARG   6           HD2      ARG   6   3.476   8.807  -3.776
   54    HD3  ARG   6           HD1      ARG   6   3.428  10.162  -2.565
   55    HE   ARG   6           HE       ARG   6   5.973   8.993  -2.275
   56   HH11  ARG   6          HH11      ARG   6   4.035  10.511  -4.849
   57   HH12  ARG   6          HH12      ARG   6   5.387  11.219  -5.667
   58   HH21  ARG   6          HH21      ARG   6   7.817   9.961  -3.386
   59   HH22  ARG   6          HH22      ARG   6   7.574  10.901  -4.820
   60    H    ILE   7           HN       ILE   7   0.669   8.253   0.050
   61    HA   ILE   7           HA       ILE   7   0.091   9.230  -2.636
   62    HB   ILE   7           HB       ILE   7  -2.305   8.088  -1.516
   63   HG12  ILE   7          HG12      ILE   7  -1.254   5.688  -1.292
   64   HG13  ILE   7          HG11      ILE   7   0.242   6.602  -0.839
   65   HG21  ILE   7          HG21      ILE   7  -1.746   8.132  -3.914
   66   HG22  ILE   7          HG22      ILE   7  -1.942   6.415  -3.393
   67   HG23  ILE   7          HG23      ILE   7  -0.291   7.100  -3.641
   68   HD11  ILE   7          HD11      ILE   7  -1.676   6.040   1.016
   69   HD12  ILE   7          HD12      ILE   7  -2.386   7.563   0.332
   70   HD13  ILE   7          HD13      ILE   7  -0.737   7.589   1.043
   71    H    ILE   8           HN       ILE   8   0.089  10.163   0.418
   72    HA   ILE   8           HA       ILE   8  -2.495  11.289   0.399
   73    HB   ILE   8           HB       ILE   8  -0.301  10.917   2.383
   74   HG12  ILE   8          HG12      ILE   8  -3.264  10.114   2.310
   75   HG13  ILE   8          HG11      ILE   8  -1.903   9.107   1.711
   76   HG21  ILE   8          HG21      ILE   8  -2.216  11.994   4.010
   77   HG22  ILE   8          HG22      ILE   8  -2.680  12.869   2.503
   78   HG23  ILE   8          HG23      ILE   8  -1.015  13.052   3.180
   79   HD11  ILE   8          HD11      ILE   8  -1.965   8.220   3.835
   80   HD12  ILE   8          HD12      ILE   8  -2.775   9.676   4.531
   81   HD13  ILE   8          HD13      ILE   8  -0.993   9.681   4.250
   82    H    LEU   9           HN       LEU   9  -0.356  11.691  -1.291
   83    HA   LEU   9           HA       LEU   9  -0.160  14.538  -1.419
   84    HB2  LEU   9           HB2      LEU   9   2.220  12.740  -1.924
   85    HB3  LEU   9           HB1      LEU   9   2.235  14.526  -1.667
   86    HG   LEU   9           HG       LEU   9   1.602  12.410   0.392
   87   HD11  LEU   9          HD11      LEU   9   4.100  14.208   0.398
   88   HD12  LEU   9          HD12      LEU   9   4.078  12.665  -0.535
   89   HD13  LEU   9          HD13      LEU   9   3.833  12.643   1.256
   90   HD21  LEU   9          HD21      LEU   9   2.264  15.305   1.067
   91   HD22  LEU   9          HD22      LEU   9   1.307  14.082   1.994
   92   HD23  LEU   9          HD23      LEU   9   0.622  14.834   0.519
   93    H    DAS  10           HN       DAS  10   0.373  11.322  -2.399
   94    HA   DAS  10           HA       DAS  10   0.279  10.375  -4.344
   95    HB2  DAS  10           HB2      DAS  10   0.140  12.907  -5.891
   96    HB3  DAS  10           HB1      DAS  10   1.624  12.592  -4.946
   97    H    PHE  11           HN       PHE  11  -1.913  12.317  -2.980
   98    HA   PHE  11           HA       PHE  11  -3.880  11.918  -5.115
   99    HB2  PHE  11           HB2      PHE  11  -5.451  10.957  -3.623
  100    HB3  PHE  11           HB1      PHE  11  -3.908  10.317  -2.940
  101    HD1  PHE  11           HD1      PHE  11  -6.836  11.338  -1.778
  102    HD2  PHE  11           HD2      PHE  11  -2.799  12.540  -1.696
  103    HE1  PHE  11           HE1      PHE  11  -7.199  12.524   0.326
  104    HE2  PHE  11           HE2      PHE  11  -3.110  13.692   0.286
  105    HZ   PHE  11           HZ       PHE  11  -5.337  13.725   1.410
  106    H    LEU  12           HN       LEU  12  -1.972  14.025  -3.499
  107    HA   LEU  12           HA       LEU  12  -4.024  15.769  -2.508
  108    HB2  LEU  12           HB2      LEU  12  -1.023  15.775  -2.544
  109    HB3  LEU  12           HB1      LEU  12  -1.909  17.314  -2.248
  110    HG   LEU  12           HG       LEU  12  -2.063  14.759  -0.712
  111   HD11  LEU  12          HD11      LEU  12   0.062  16.091  -0.638
  112   HD12  LEU  12          HD12      LEU  12  -0.761  15.955   0.972
  113   HD13  LEU  12          HD13      LEU  12  -0.878  17.488   0.025
  114   HD21  LEU  12          HD21      LEU  12  -3.530  17.427  -0.354
  115   HD22  LEU  12          HD22      LEU  12  -3.375  16.208   0.968
  116   HD23  LEU  12          HD23      LEU  12  -4.244  15.783  -0.557
  117    H    PHE  13           HN       PHE  13  -1.161  15.824  -4.482
  118    HA   PHE  13           HA       PHE  13  -2.119  18.397  -5.502
  119    HB2  PHE  13           HB2      PHE  13  -0.063  17.357  -7.235
  120    HB3  PHE  13           HB1      PHE  13   0.101  18.708  -6.058
  121    HD1  PHE  13           HD1      PHE  13   1.119  15.777  -7.128
  122    HD2  PHE  13           HD2      PHE  13   0.281  17.924  -3.604
  123    HE1  PHE  13           HE1      PHE  13   2.320  14.174  -5.908
  124    HE2  PHE  13           HE2      PHE  13   1.534  16.299  -2.340
  125    HZ   PHE  13           HZ       PHE  13   2.511  14.430  -3.544
  126    H    LEU  14           HN       LEU  14  -2.214  15.099  -5.686
  127    HA   LEU  14           HA       LEU  14  -2.503  14.872  -8.477
  128    HB2  LEU  14           HB2      LEU  14  -2.519  13.086  -6.115
  129    HB3  LEU  14           HB1      LEU  14  -3.564  12.524  -7.484
  130    HG   LEU  14           HG       LEU  14  -1.000  11.840  -7.384
  131   HD11  LEU  14          HD11      LEU  14  -1.070  12.436 -10.107
  132   HD12  LEU  14          HD12      LEU  14  -2.817  12.549  -9.660
  133   HD13  LEU  14          HD13      LEU  14  -1.896  11.028  -9.335
  134   HD21  LEU  14          HD21      LEU  14   0.615  13.350  -8.286
  135   HD22  LEU  14          HD22      LEU  14  -0.327  14.347  -7.113
  136   HD23  LEU  14          HD23      LEU  14  -0.646  14.497  -8.884
  137    H    ARG  15           HN       ARG  15  -4.309  16.069  -6.014
  138    HA   ARG  15           HA       ARG  15  -6.883  15.467  -7.094
  139    HB2  ARG  15           HB2      ARG  15  -5.647  16.061  -4.688
  140    HB3  ARG  15           HB1      ARG  15  -6.587  17.531  -5.071
  141    HG2  ARG  15           HG2      ARG  15  -8.613  16.503  -4.694
  142    HG3  ARG  15           HG1      ARG  15  -8.053  14.912  -5.333
  143    HD2  ARG  15           HD2      ARG  15  -8.404  15.403  -2.630
  144    HD3  ARG  15           HD1      ARG  15  -7.197  14.227  -3.311
  145    HE   ARG  15           HE       ARG  15  -5.536  15.564  -2.460
  146   HH11  ARG  15          HH11      ARG  15  -8.356  17.632  -3.107
  147   HH12  ARG  15          HH12      ARG  15  -7.530  19.117  -2.774
  148   HH21  ARG  15          HH21      ARG  15  -4.367  17.540  -2.204
  149   HH22  ARG  15          HH22      ARG  15  -5.199  19.066  -2.245
  150    H    LYS  16           HN       LYS  16  -4.633  17.949  -6.261
  151    HA   LYS  16           HA       LYS  16  -6.010  20.206  -7.024
  152    HB2  LYS  16           HB2      LYS  16  -3.099  19.455  -6.745
  153    HB3  LYS  16           HB1      LYS  16  -3.594  21.145  -7.145
  154    HG2  LYS  16           HG2      LYS  16  -4.879  21.279  -5.031
  155    HG3  LYS  16           HG1      LYS  16  -4.480  19.563  -4.663
  156    HD2  LYS  16           HD2      LYS  16  -2.064  20.106  -4.622
  157    HD3  LYS  16           HD1      LYS  16  -2.430  21.812  -5.050
  158    HE2  LYS  16           HE2      LYS  16  -3.443  20.412  -2.479
  159    HE3  LYS  16           HE1      LYS  16  -1.970  21.468  -2.566
  160    HZ1  LYS  16           HZ1      LYS  16  -3.244  23.226  -2.440
  161    HZ2  LYS  16           HZ2      LYS  16  -4.595  22.229  -2.191
  162    HZ3  LYS  16           HZ3      LYS  16  -4.199  22.745  -3.759
  163    H    LYS  17           HN       LYS  17  -3.631  18.178  -8.764
  164    HA   LYS  17           HA       LYS  17  -4.748  19.344 -11.151
  165    HB2  LYS  17           HB2      LYS  17  -2.228  19.204 -12.108
  166    HB3  LYS  17           HB1      LYS  17  -2.856  20.700 -11.339
  167    HG2  LYS  17           HG2      LYS  17  -1.584  18.662  -9.501
  168    HG3  LYS  17           HG1      LYS  17  -0.496  19.516 -10.644
  169    HD2  LYS  17           HD2      LYS  17  -0.869  21.613  -9.668
  170    HD3  LYS  17           HD1      LYS  17  -2.496  21.167  -9.051
  171    HE2  LYS  17           HE2      LYS  17  -1.198  21.215  -7.055
  172    HE3  LYS  17           HE1      LYS  17  -1.134  19.460  -7.495
  173    HZ1  LYS  17           HZ1      LYS  17   1.017  20.524  -6.917
  174    HZ2  LYS  17           HZ2      LYS  17   0.912  21.447  -8.338
  175    HZ3  LYS  17           HZ3      LYS  17   0.990  19.754  -8.429
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1   5.897   1.364  -2.753
    2    H2   GLU   1           HT2      GLU   1   5.583   2.236  -4.177
    3    H3   GLU   1           HT3      GLU   1   4.516   2.347  -2.859
    4    HA   GLU   1           HA       GLU   1   6.967   3.020  -1.857
    5    HB2  GLU   1           HB2      GLU   1   6.384   4.300  -4.586
    6    HB3  GLU   1           HB1      GLU   1   7.494   5.044  -3.379
    7    HG2  GLU   1           HG2      GLU   1   8.996   3.066  -3.464
    8    HG3  GLU   1           HG1      GLU   1   7.857   2.214  -4.580
    9    H    MET   2           HN       MET   2   5.557   3.579  -0.106
   10    HA   MET   2           HA       MET   2   4.442   6.202  -0.430
   11    HB2  MET   2           HB2      MET   2   2.270   5.385   0.829
   12    HB3  MET   2           HB1      MET   2   2.367   5.244  -0.976
   13    HG2  MET   2           HG2      MET   2   3.055   2.864  -0.815
   14    HG3  MET   2           HG1      MET   2   3.052   2.957   0.970
   15    HE1  MET   2           HE1      MET   2   0.917   2.093  -2.236
   16    HE2  MET   2           HE2      MET   2   1.162   3.872  -2.142
   17    HE3  MET   2           HE3      MET   2  -0.491   3.184  -1.987
   18    H    ARG   3           HN       ARG   3   3.769   7.111   1.657
   19    HA   ARG   3           HA       ARG   3   5.136   5.737   3.785
   20    HB2  ARG   3           HB2      ARG   3   4.651   8.731   3.595
   21    HB3  ARG   3           HB1      ARG   3   5.649   7.880   4.837
   22    HG2  ARG   3           HG2      ARG   3   6.221   8.089   1.827
   23    HG3  ARG   3           HG1      ARG   3   7.131   8.892   3.158
   24    HD2  ARG   3           HD2      ARG   3   6.856   5.827   2.814
   25    HD3  ARG   3           HD1      ARG   3   8.299   6.803   2.282
   26    HE   ARG   3           HE       ARG   3   7.544   6.119   5.074
   27   HH11  ARG   3          HH11      ARG   3   9.421   8.200   2.868
   28   HH12  ARG   3          HH12      ARG   3  10.604   8.646   4.051
   29   HH21  ARG   3          HH21      ARG   3   9.155   6.727   6.678
   30   HH22  ARG   3          HH22      ARG   3  10.451   7.795   6.252
   31    H    ILE   4           HN       ILE   4   2.288   6.306   2.439
   32    HA   ILE   4           HA       ILE   4   0.183   6.244   3.167
   33    HB   ILE   4           HB       ILE   4   0.824   5.668   5.999
   34   HG12  ILE   4          HG12      ILE   4   2.689   4.557   4.990
   35   HG13  ILE   4          HG11      ILE   4   1.491   3.313   5.458
   36   HG21  ILE   4          HG21      ILE   4  -0.945   3.879   5.539
   37   HG22  ILE   4          HG22      ILE   4  -1.002   4.436   3.824
   38   HG23  ILE   4          HG23      ILE   4  -1.492   5.555   5.153
   39   HD11  ILE   4          HD11      ILE   4   2.666   3.951   2.822
   40   HD12  ILE   4          HD12      ILE   4   0.856   3.956   2.754
   41   HD13  ILE   4          HD13      ILE   4   1.732   2.487   3.334
   42    H    SER   5           HN       SER   5   2.105   8.291   3.336
   43    HA   SER   5           HA       SER   5   0.483  10.166   4.318
   44    HB2  SER   5           HB2      SER   5   2.773   9.439   6.192
   45    HB3  SER   5           HB1      SER   5   2.319  11.182   6.017
   46    HG   SER   5           HG       SER   5   0.438   9.134   6.580
   47    H    ARG   6           HN       ARG   6   1.574   9.314   2.084
   48    HA   ARG   6           HA       ARG   6   3.153  11.517   1.336
   49    HB2  ARG   6           HB2      ARG   6   5.095  10.280   1.463
   50    HB3  ARG   6           HB1      ARG   6   4.161   8.764   1.660
   51    HG2  ARG   6           HG2      ARG   6   5.411   8.617  -0.422
   52    HG3  ARG   6           HG1      ARG   6   3.655   8.769  -0.807
   53    HD2  ARG   6           HD2      ARG   6   4.767  10.309  -2.311
   54    HD3  ARG   6           HD1      ARG   6   4.101  11.346  -0.972
   55    HE   ARG   6           HE       ARG   6   6.745  10.554  -0.224
   56   HH11  ARG   6          HH11      ARG   6   5.040  12.470  -2.693
   57   HH12  ARG   6          HH12      ARG   6   6.310  13.628  -2.897
   58   HH21  ARG   6          HH21      ARG   6   8.478  12.130  -0.501
   59   HH22  ARG   6          HH22      ARG   6   8.299  13.430  -1.629
   60    H    ILE   7           HN       ILE   7   1.382   8.430   0.757
   61    HA   ILE   7           HA       ILE   7   1.000   9.327  -1.997
   62    HB   ILE   7           HB       ILE   7  -1.245   7.676  -1.235
   63   HG12  ILE   7          HG12      ILE   7   0.257   5.583  -0.795
   64   HG13  ILE   7          HG11      ILE   7   1.456   6.805  -0.210
   65   HG21  ILE   7          HG21      ILE   7  -0.204   6.150  -2.998
   66   HG22  ILE   7          HG22      ILE   7   1.241   7.234  -3.019
   67   HG23  ILE   7          HG23      ILE   7  -0.373   7.869  -3.523
   68   HD11  ILE   7          HD11      ILE   7   0.201   7.377   1.622
   69   HD12  ILE   7          HD12      ILE   7  -0.623   5.789   1.348
   70   HD13  ILE   7          HD13      ILE   7  -1.340   7.323   0.690
   71    H    ILE   8           HN       ILE   8   0.255  10.163   1.013
   72    HA   ILE   8           HA       ILE   8  -2.454  10.723   0.508
   73    HB   ILE   8           HB       ILE   8  -0.639  10.744   2.863
   74   HG12  ILE   8          HG12      ILE   8  -3.272   9.302   2.207
   75   HG13  ILE   8          HG11      ILE   8  -1.628   8.665   1.887
   76   HG21  ILE   8          HG21      ILE   8  -3.363  12.135   2.534
   77   HG22  ILE   8          HG22      ILE   8  -1.954  12.608   3.558
   78   HG23  ILE   8          HG23      ILE   8  -3.045  11.275   4.087
   79   HD11  ILE   8          HD11      ILE   8  -1.735   7.705   3.941
   80   HD12  ILE   8          HD12      ILE   8  -3.172   8.694   4.412
   81   HD13  ILE   8          HD13      ILE   8  -1.511   9.366   4.609
   82    H    LEU   9           HN       LEU   9  -0.280  11.657  -0.801
   83    HA   LEU   9           HA       LEU   9  -0.629  14.510  -0.839
   84    HB2  LEU   9           HB2      LEU   9   2.083  13.107  -0.897
   85    HB3  LEU   9           HB1      LEU   9   1.831  14.868  -0.801
   86    HG   LEU   9           HG       LEU   9   1.173  12.789   1.270
   87   HD11  LEU   9          HD11      LEU   9   3.118  13.456   2.483
   88   HD12  LEU   9          HD12      LEU   9   3.202  15.061   1.664
   89   HD13  LEU   9          HD13      LEU   9   3.684  13.570   0.771
   90   HD21  LEU   9          HD21      LEU   9  -0.313  14.932   1.081
   91   HD22  LEU   9          HD22      LEU   9   1.081  15.789   1.829
   92   HD23  LEU   9          HD23      LEU   9   0.278  14.420   2.698
   93    H    DAS  10           HN       DAS  10   0.732  11.534  -1.699
   94    HA   DAS  10           HA       DAS  10   1.165  10.652  -3.593
   95    HB2  DAS  10           HB2      DAS  10   0.978  13.283  -4.967
   96    HB3  DAS  10           HB1      DAS  10   2.280  13.001  -3.796
   97    H    PHE  11           HN       PHE  11  -1.586  12.008  -2.685
   98    HA   PHE  11           HA       PHE  11  -3.070  11.340  -5.133
   99    HB2  PHE  11           HB2      PHE  11  -4.491   9.825  -3.960
  100    HB3  PHE  11           HB1      PHE  11  -2.938   9.558  -3.075
  101    HD1  PHE  11           HD1      PHE  11  -6.152   9.624  -2.292
  102    HD2  PHE  11           HD2      PHE  11  -2.685  11.917  -1.594
  103    HE1  PHE  11           HE1      PHE  11  -7.131  10.563  -0.264
  104    HE2  PHE  11           HE2      PHE  11  -3.579  12.842   0.310
  105    HZ   PHE  11           HZ       PHE  11  -5.864  12.185   1.101
  106    H    LEU  12           HN       LEU  12  -2.024  13.790  -3.494
  107    HA   LEU  12           HA       LEU  12  -4.577  14.826  -2.618
  108    HB2  LEU  12           HB2      LEU  12  -1.696  15.444  -2.140
  109    HB3  LEU  12           HB1      LEU  12  -2.885  16.790  -1.978
  110    HG   LEU  12           HG       LEU  12  -2.785  14.175  -0.550
  111   HD11  LEU  12          HD11      LEU  12  -2.189  15.480   1.379
  112   HD12  LEU  12          HD12      LEU  12  -2.581  17.025   0.526
  113   HD13  LEU  12          HD13      LEU  12  -1.168  16.025  -0.007
  114   HD21  LEU  12          HD21      LEU  12  -5.104  14.491  -0.830
  115   HD22  LEU  12          HD22      LEU  12  -4.968  16.287  -0.741
  116   HD23  LEU  12          HD23      LEU  12  -4.793  15.292   0.763
  117    H    PHE  13           HN       PHE  13  -1.602  15.821  -4.022
  118    HA   PHE  13           HA       PHE  13  -3.089  18.065  -5.336
  119    HB2  PHE  13           HB2      PHE  13  -0.241  17.711  -6.147
  120    HB3  PHE  13           HB1      PHE  13  -0.993  19.161  -5.368
  121    HD1  PHE  13           HD1      PHE  13   0.898  16.349  -5.162
  122    HD2  PHE  13           HD2      PHE  13  -1.467  19.062  -2.989
  123    HE1  PHE  13           HE1      PHE  13   1.605  15.292  -3.177
  124    HE2  PHE  13           HE2      PHE  13  -0.685  18.066  -0.935
  125    HZ   PHE  13           HZ       PHE  13   0.798  16.185  -1.111
  126    H    LEU  14           HN       LEU  14  -2.229  14.935  -5.396
  127    HA   LEU  14           HA       LEU  14  -1.520  14.839  -8.103
  128    HB2  LEU  14           HB2      LEU  14  -1.736  12.964  -5.827
  129    HB3  LEU  14           HB1      LEU  14  -1.999  12.233  -7.464
  130    HG   LEU  14           HG       LEU  14   0.438  12.375  -6.571
  131   HD11  LEU  14          HD11      LEU  14   1.154  13.383  -9.013
  132   HD12  LEU  14          HD12      LEU  14  -0.605  13.088  -9.310
  133   HD13  LEU  14          HD13      LEU  14   0.466  11.728  -8.791
  134   HD21  LEU  14          HD21      LEU  14   0.240  15.301  -7.519
  135   HD22  LEU  14          HD22      LEU  14   1.646  14.473  -6.746
  136   HD23  LEU  14          HD23      LEU  14   0.152  14.804  -5.782
  137    H    ARG  15           HN       ARG  15  -3.858  16.161  -7.608
  138    HA   ARG  15           HA       ARG  15  -5.724  14.634  -9.080
  139    HB2  ARG  15           HB2      ARG  15  -5.916  15.348  -6.256
  140    HB3  ARG  15           HB1      ARG  15  -7.400  15.654  -7.242
  141    HG2  ARG  15           HG2      ARG  15  -7.925  13.462  -7.140
  142    HG3  ARG  15           HG1      ARG  15  -6.379  13.053  -7.974
  143    HD2  ARG  15           HD2      ARG  15  -5.912  11.963  -5.980
  144    HD3  ARG  15           HD1      ARG  15  -5.464  13.638  -5.410
  145    HE   ARG  15           HE       ARG  15  -7.931  12.179  -4.837
  146   HH11  ARG  15          HH11      ARG  15  -6.109  15.244  -4.802
  147   HH12  ARG  15          HH12      ARG  15  -7.070  15.976  -3.557
  148   HH21  ARG  15          HH21      ARG  15  -9.243  13.184  -3.127
  149   HH22  ARG  15          HH22      ARG  15  -8.871  14.788  -2.592
  150    H    LYS  16           HN       LYS  16  -5.132  17.309  -6.943
  151    HA   LYS  16           HA       LYS  16  -6.845  19.143  -8.131
  152    HB2  LYS  16           HB2      LYS  16  -4.415  19.314  -6.344
  153    HB3  LYS  16           HB1      LYS  16  -5.366  20.775  -6.805
  154    HG2  LYS  16           HG2      LYS  16  -7.393  19.776  -5.760
  155    HG3  LYS  16           HG1      LYS  16  -6.451  18.299  -5.344
  156    HD2  LYS  16           HD2      LYS  16  -4.947  19.599  -3.905
  157    HD3  LYS  16           HD1      LYS  16  -5.744  21.133  -4.399
  158    HE2  LYS  16           HE2      LYS  16  -6.555  20.424  -2.148
  159    HE3  LYS  16           HE1      LYS  16  -7.910  20.312  -3.348
  160    HZ1  LYS  16           HZ1      LYS  16  -6.325  17.919  -3.137
  161    HZ2  LYS  16           HZ2      LYS  16  -8.009  18.140  -3.094
  162    HZ3  LYS  16           HZ3      LYS  16  -7.088  18.359  -1.684
  163    H    LYS  17           HN       LYS  17  -3.381  18.364  -8.467
  164    HA   LYS  17           HA       LYS  17  -3.306  20.447 -10.470
  165    HB2  LYS  17           HB2      LYS  17  -0.769  18.946  -9.902
  166    HB3  LYS  17           HB1      LYS  17  -1.010  20.700 -10.201
  167    HG2  LYS  17           HG2      LYS  17  -1.601  19.207  -7.582
  168    HG3  LYS  17           HG1      LYS  17  -0.192  20.260  -7.903
  169    HD2  LYS  17           HD2      LYS  17  -1.443  22.224  -7.755
  170    HD3  LYS  17           HD1      LYS  17  -2.968  21.438  -8.289
  171    HE2  LYS  17           HE2      LYS  17  -3.467  21.676  -6.011
  172    HE3  LYS  17           HE1      LYS  17  -2.610  20.078  -5.923
  173    HZ1  LYS  17           HZ1      LYS  17  -0.570  21.296  -5.446
  174    HZ2  LYS  17           HZ2      LYS  17  -1.782  21.612  -4.298
  175    HZ3  LYS  17           HZ3      LYS  17  -1.409  22.772  -5.480
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1   8.460   4.756   0.758
    2    H2   GLU   1           HT2      GLU   1  10.135   4.551   0.946
    3    H3   GLU   1           HT3      GLU   1   9.349   5.847   1.711
    4    HA   GLU   1           HA       GLU   1   9.590   3.095   2.491
    5    HB2  GLU   1           HB2      GLU   1   9.002   5.759   3.897
    6    HB3  GLU   1           HB1      GLU   1   9.091   4.194   4.783
    7    HG2  GLU   1           HG2      GLU   1  11.457   3.881   4.120
    8    HG3  GLU   1           HG1      GLU   1  11.395   5.356   3.076
    9    H    MET   2           HN       MET   2   6.968   5.611   2.426
   10    HA   MET   2           HA       MET   2   5.092   3.382   2.580
   11    HB2  MET   2           HB2      MET   2   5.301   5.717   4.474
   12    HB3  MET   2           HB1      MET   2   3.650   5.336   3.871
   13    HG2  MET   2           HG2      MET   2   3.929   2.964   4.627
   14    HG3  MET   2           HG1      MET   2   5.561   3.362   5.258
   15    HE1  MET   2           HE1      MET   2   3.025   1.999   6.781
   16    HE2  MET   2           HE2      MET   2   3.375   2.675   8.409
   17    HE3  MET   2           HE3      MET   2   4.726   2.155   7.344
   18    H    ARG   3           HN       ARG   3   3.175   3.711   1.395
   19    HA   ARG   3           HA       ARG   3   3.252   6.116  -0.244
   20    HB2  ARG   3           HB2      ARG   3   2.498   3.243  -0.876
   21    HB3  ARG   3           HB1      ARG   3   1.667   4.585  -1.745
   22    HG2  ARG   3           HG2      ARG   3   3.522   4.042  -3.129
   23    HG3  ARG   3           HG1      ARG   3   3.992   5.533  -2.232
   24    HD2  ARG   3           HD2      ARG   3   5.313   4.169  -0.601
   25    HD3  ARG   3           HD1      ARG   3   4.856   2.657  -1.496
   26    HE   ARG   3           HE       ARG   3   6.338   3.284  -3.255
   27   HH11  ARG   3          HH11      ARG   3   5.957   5.887  -0.844
   28   HH12  ARG   3          HH12      ARG   3   7.257   6.852  -1.460
   29   HH21  ARG   3          HH21      ARG   3   8.102   4.597  -4.084
   30   HH22  ARG   3          HH22      ARG   3   8.495   6.107  -3.331
   31    H    ILE   4           HN       ILE   4   2.417   5.969   2.286
   32    HA   ILE   4           HA       ILE   4  -0.409   6.575   1.966
   33    HB   ILE   4           HB       ILE   4   0.051   5.495   4.596
   34   HG12  ILE   4          HG12      ILE   4   1.901   4.253   3.280
   35   HG13  ILE   4          HG11      ILE   4   0.755   3.265   4.249
   36   HG21  ILE   4          HG21      ILE   4  -1.832   3.890   3.716
   37   HG22  ILE   4          HG22      ILE   4  -1.728   4.829   2.179
   38   HG23  ILE   4          HG23      ILE   4  -2.173   5.662   3.715
   39   HD11  ILE   4          HD11      ILE   4  -0.192   3.672   1.450
   40   HD12  ILE   4          HD12      ILE   4   0.010   2.142   2.388
   41   HD13  ILE   4          HD13      ILE   4   1.422   2.874   1.531
   42    H    SER   5           HN       SER   5   2.210   7.713   1.990
   43    HA   SER   5           HA       SER   5   1.774   9.841   3.785
   44    HB2  SER   5           HB2      SER   5   4.275   8.077   4.208
   45    HB3  SER   5           HB1      SER   5   4.093   9.752   4.867
   46    HG   SER   5           HG       SER   5   1.978   8.089   5.419
   47    H    ARG   6           HN       ARG   6   1.723   9.144   1.097
   48    HA   ARG   6           HA       ARG   6   3.524  10.978   0.044
   49    HB2  ARG   6           HB2      ARG   6   5.196   9.519  -0.479
   50    HB3  ARG   6           HB1      ARG   6   4.212   8.146   0.126
   51    HG2  ARG   6           HG2      ARG   6   4.668   7.677  -2.182
   52    HG3  ARG   6           HG1      ARG   6   2.954   8.194  -2.092
   53    HD2  ARG   6           HD2      ARG   6   3.925   9.363  -3.997
   54    HD3  ARG   6           HD1      ARG   6   3.764  10.580  -2.656
   55    HE   ARG   6           HE       ARG   6   6.345   9.405  -2.407
   56   HH11  ARG   6          HH11      ARG   6   4.446  11.355  -4.700
   57   HH12  ARG   6          HH12      ARG   6   5.800  12.246  -5.307
   58   HH21  ARG   6          HH21      ARG   6   8.192  10.621  -3.227
   59   HH22  ARG   6          HH22      ARG   6   7.967  11.821  -4.455
   60    H    ILE   7           HN       ILE   7   1.033   8.452  -0.072
   61    HA   ILE   7           HA       ILE   7   0.050   9.303  -2.650
   62    HB   ILE   7           HB       ILE   7  -0.821   7.482  -0.447
   63   HG12  ILE   7          HG12      ILE   7  -0.635   5.797  -1.988
   64   HG13  ILE   7          HG11      ILE   7  -0.857   6.923  -3.387
   65   HG21  ILE   7          HG21      ILE   7  -2.694   8.579  -2.609
   66   HG22  ILE   7          HG22      ILE   7  -2.925   8.577  -0.814
   67   HG23  ILE   7          HG23      ILE   7  -3.005   7.029  -1.739
   68   HD11  ILE   7          HD11      ILE   7   1.571   6.182  -2.944
   69   HD12  ILE   7          HD12      ILE   7   1.433   7.152  -1.408
   70   HD13  ILE   7          HD13      ILE   7   1.261   7.967  -3.010
   71    H    ILE   8           HN       ILE   8   0.392  10.279   0.244
   72    HA   ILE   8           HA       ILE   8  -2.139  11.319   0.444
   73    HB   ILE   8           HB       ILE   8   0.131  10.537   2.061
   74   HG12  ILE   8          HG12      ILE   8  -2.922  10.373   2.356
   75   HG13  ILE   8          HG11      ILE   8  -1.823   9.161   1.597
   76   HG21  ILE   8          HG21      ILE   8  -0.969  11.830   4.128
   77   HG22  ILE   8          HG22      ILE   8  -1.781  12.863   2.893
   78   HG23  ILE   8          HG23      ILE   8   0.022  12.813   2.987
   79   HD11  ILE   8          HD11      ILE   8  -0.706   9.604   4.167
   80   HD12  ILE   8          HD12      ILE   8  -1.665   8.172   3.632
   81   HD13  ILE   8          HD13      ILE   8  -2.486   9.558   4.449
   82    H    LEU   9           HN       LEU   9  -0.194  11.783  -1.364
   83    HA   LEU   9           HA       LEU   9  -0.025  14.625  -1.534
   84    HB2  LEU   9           HB2      LEU   9   2.359  12.889  -2.174
   85    HB3  LEU   9           HB1      LEU   9   2.346  14.670  -1.896
   86    HG   LEU   9           HG       LEU   9   1.907  12.520   0.172
   87   HD11  LEU   9          HD11      LEU   9   4.302  12.797  -0.865
   88   HD12  LEU   9          HD12      LEU   9   4.176  12.873   0.937
   89   HD13  LEU   9          HD13      LEU   9   4.347  14.391  -0.023
   90   HD21  LEU   9          HD21      LEU   9   0.889  14.944   0.365
   91   HD22  LEU   9          HD22      LEU   9   2.542  15.384   0.912
   92   HD23  LEU   9          HD23      LEU   9   1.590  14.121   1.794
   93    H    DAS  10           HN       DAS  10   0.450  11.377  -2.473
   94    HA   DAS  10           HA       DAS  10   0.244  10.369  -4.354
   95    HB2  DAS  10           HB2      DAS  10   0.074  12.864  -5.974
   96    HB3  DAS  10           HB1      DAS  10   1.603  12.524  -5.113
   97    H    PHE  11           HN       PHE  11  -1.820  12.448  -3.018
   98    HA   PHE  11           HA       PHE  11  -3.930  11.975  -4.982
   99    HB2  PHE  11           HB2      PHE  11  -5.403  11.032  -3.382
  100    HB3  PHE  11           HB1      PHE  11  -3.816  10.390  -2.805
  101    HD1  PHE  11           HD1      PHE  11  -6.634  11.344  -1.421
  102    HD2  PHE  11           HD2      PHE  11  -2.645  12.681  -1.663
  103    HE1  PHE  11           HE1      PHE  11  -6.856  12.503   0.715
  104    HE2  PHE  11           HE2      PHE  11  -2.825  13.801   0.343
  105    HZ   PHE  11           HZ       PHE  11  -4.949  13.759   1.653
  106    H    LEU  12           HN       LEU  12  -1.919  14.095  -3.520
  107    HA   LEU  12           HA       LEU  12  -3.906  15.874  -2.449
  108    HB2  LEU  12           HB2      LEU  12  -0.909  15.845  -2.636
  109    HB3  LEU  12           HB1      LEU  12  -1.766  17.394  -2.311
  110    HG   LEU  12           HG       LEU  12  -1.852  14.854  -0.737
  111   HD11  LEU  12          HD11      LEU  12  -0.469  16.064   0.864
  112   HD12  LEU  12          HD12      LEU  12  -0.635  17.591  -0.089
  113   HD13  LEU  12          HD13      LEU  12   0.273  16.184  -0.784
  114   HD21  LEU  12          HD21      LEU  12  -3.064  16.372   0.987
  115   HD22  LEU  12          HD22      LEU  12  -4.016  15.849  -0.457
  116   HD23  LEU  12          HD23      LEU  12  -3.327  17.515  -0.387
  117    H    PHE  13           HN       PHE  13  -1.142  15.859  -4.568
  118    HA   PHE  13           HA       PHE  13  -2.146  18.411  -5.601
  119    HB2  PHE  13           HB2      PHE  13  -0.195  17.311  -7.421
  120    HB3  PHE  13           HB1      PHE  13   0.042  18.695  -6.294
  121    HD1  PHE  13           HD1      PHE  13   0.957  15.709  -7.327
  122    HD2  PHE  13           HD2      PHE  13   0.376  18.001  -3.843
  123    HE1  PHE  13           HE1      PHE  13   2.211  14.135  -6.127
  124    HE2  PHE  13           HE2      PHE  13   1.691  16.407  -2.602
  125    HZ   PHE  13           HZ       PHE  13   2.561  14.478  -3.792
  126    H    LEU  14           HN       LEU  14  -2.279  15.111  -5.688
  127    HA   LEU  14           HA       LEU  14  -2.723  14.807  -8.453
  128    HB2  LEU  14           HB2      LEU  14  -2.609  13.088  -6.047
  129    HB3  LEU  14           HB1      LEU  14  -3.738  12.495  -7.333
  130    HG   LEU  14           HG       LEU  14  -1.187  11.785  -7.371
  131   HD11  LEU  14          HD11      LEU  14  -3.113  12.492  -9.560
  132   HD12  LEU  14          HD12      LEU  14  -2.216  10.954  -9.249
  133   HD13  LEU  14          HD13      LEU  14  -1.395  12.322 -10.095
  134   HD21  LEU  14          HD21      LEU  14  -0.468  14.286  -7.183
  135   HD22  LEU  14          HD22      LEU  14  -0.884  14.411  -8.935
  136   HD23  LEU  14          HD23      LEU  14   0.394  13.258  -8.389
  137    H    ARG  15           HN       ARG  15  -4.387  16.078  -5.921
  138    HA   ARG  15           HA       ARG  15  -7.020  15.458  -6.841
  139    HB2  ARG  15           HB2      ARG  15  -5.649  16.103  -4.523
  140    HB3  ARG  15           HB1      ARG  15  -6.607  17.566  -4.888
  141    HG2  ARG  15           HG2      ARG  15  -8.613  16.552  -4.387
  142    HG3  ARG  15           HG1      ARG  15  -8.079  14.939  -4.990
  143    HD2  ARG  15           HD2      ARG  15  -8.293  15.544  -2.292
  144    HD3  ARG  15           HD1      ARG  15  -7.129  14.334  -2.989
  145    HE   ARG  15           HE       ARG  15  -5.415  15.694  -2.291
  146   HH11  ARG  15          HH11      ARG  15  -8.266  17.750  -2.833
  147   HH12  ARG  15          HH12      ARG  15  -7.414  19.243  -2.623
  148   HH21  ARG  15          HH21      ARG  15  -4.224  17.677  -2.206
  149   HH22  ARG  15          HH22      ARG  15  -5.055  19.203  -2.260
  150    H    LYS  16           HN       LYS  16  -4.728  17.949  -6.183
  151    HA   LYS  16           HA       LYS  16  -6.140  20.196  -6.920
  152    HB2  LYS  16           HB2      LYS  16  -3.211  19.446  -6.753
  153    HB3  LYS  16           HB1      LYS  16  -3.725  21.128  -7.162
  154    HG2  LYS  16           HG2      LYS  16  -4.893  21.319  -5.000
  155    HG3  LYS  16           HG1      LYS  16  -4.525  19.602  -4.623
  156    HD2  LYS  16           HD2      LYS  16  -2.097  20.083  -4.625
  157    HD3  LYS  16           HD1      LYS  16  -2.418  21.786  -5.098
  158    HE2  LYS  16           HE2      LYS  16  -3.471  20.516  -2.482
  159    HE3  LYS  16           HE1      LYS  16  -1.924  21.455  -2.604
  160    HZ1  LYS  16           HZ1      LYS  16  -4.365  22.476  -2.111
  161    HZ2  LYS  16           HZ2      LYS  16  -4.205  22.770  -3.775
  162    HZ3  LYS  16           HZ3      LYS  16  -3.029  23.346  -2.695
  163    H    LYS  17           HN       LYS  17  -3.966  18.025  -8.696
  164    HA   LYS  17           HA       LYS  17  -4.369  19.705 -11.012
  165    HB2  LYS  17           HB2      LYS  17  -2.427  17.473 -10.309
  166    HB3  LYS  17           HB1      LYS  17  -2.761  17.818 -12.042
  167    HG2  LYS  17           HG2      LYS  17  -1.174  19.426 -11.939
  168    HG3  LYS  17           HG1      LYS  17  -2.313  20.380 -10.927
  169    HD2  LYS  17           HD2      LYS  17  -0.638  18.258  -9.541
  170    HD3  LYS  17           HD1      LYS  17   0.205  19.735 -10.118
  171    HE2  LYS  17           HE2      LYS  17  -2.383  20.172  -8.586
  172    HE3  LYS  17           HE1      LYS  17  -0.967  19.572  -7.639
  173    HZ1  LYS  17           HZ1      LYS  17   0.312  21.408  -8.405
  174    HZ2  LYS  17           HZ2      LYS  17  -1.151  21.997  -7.774
  175    HZ3  LYS  17           HZ3      LYS  17  -0.915  21.930  -9.454
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1   9.770   4.944  -0.266
    2    H2   GLU   1           HT2      GLU   1   9.228   6.098   0.856
    3    H3   GLU   1           HT3      GLU   1   8.108   5.258  -0.106
    4    HA   GLU   1           HA       GLU   1   9.418   3.252   1.069
    5    HB2  GLU   1           HB2      GLU   1   9.018   5.497   3.133
    6    HB3  GLU   1           HB1      GLU   1   9.481   3.801   3.520
    7    HG2  GLU   1           HG2      GLU   1  11.618   4.083   2.213
    8    HG3  GLU   1           HG1      GLU   1  11.161   5.795   1.850
    9    H    MET   2           HN       MET   2   6.932   5.773   1.901
   10    HA   MET   2           HA       MET   2   5.029   3.549   2.041
   11    HB2  MET   2           HB2      MET   2   5.169   6.031   3.838
   12    HB3  MET   2           HB1      MET   2   3.711   4.987   3.707
   13    HG2  MET   2           HG2      MET   2   4.959   3.042   4.535
   14    HG3  MET   2           HG1      MET   2   6.488   3.977   4.548
   15    HE1  MET   2           HE1      MET   2   3.075   3.317   5.728
   16    HE2  MET   2           HE2      MET   2   2.702   5.068   5.887
   17    HE3  MET   2           HE3      MET   2   2.867   4.048   7.357
   18    H    ARG   3           HN       ARG   3   3.053   3.900   1.043
   19    HA   ARG   3           HA       ARG   3   2.869   6.460  -0.329
   20    HB2  ARG   3           HB2      ARG   3   1.518   5.187  -2.108
   21    HB3  ARG   3           HB1      ARG   3   3.284   4.858  -2.107
   22    HG2  ARG   3           HG2      ARG   3   1.325   3.106  -0.544
   23    HG3  ARG   3           HG1      ARG   3   1.635   2.843  -2.296
   24    HD2  ARG   3           HD2      ARG   3   4.215   2.844  -1.557
   25    HD3  ARG   3           HD1      ARG   3   3.532   2.484   0.087
   26    HE   ARG   3           HE       ARG   3   2.282   0.718  -1.808
   27   HH11  ARG   3          HH11      ARG   3   5.445   1.448  -0.339
   28   HH12  ARG   3          HH12      ARG   3   6.039  -0.175  -0.439
   29   HH21  ARG   3          HH21      ARG   3   3.089  -1.489  -1.944
   30   HH22  ARG   3          HH22      ARG   3   4.676  -1.873  -1.368
   31    H    ILE   4           HN       ILE   4   2.068   6.086   2.188
   32    HA   ILE   4           HA       ILE   4  -0.770   6.536   1.907
   33    HB   ILE   4           HB       ILE   4  -0.633   5.284   4.347
   34   HG12  ILE   4          HG12      ILE   4   1.769   4.584   3.438
   35   HG13  ILE   4          HG11      ILE   4   0.759   3.431   4.378
   36   HG21  ILE   4          HG21      ILE   4  -1.781   3.314   3.071
   37   HG22  ILE   4          HG22      ILE   4  -1.462   4.260   1.568
   38   HG23  ILE   4          HG23      ILE   4  -2.503   4.955   2.868
   39   HD11  ILE   4          HD11      ILE   4   0.244   2.121   2.469
   40   HD12  ILE   4          HD12      ILE   4   1.933   2.651   2.116
   41   HD13  ILE   4          HD13      ILE   4   0.541   3.485   1.324
   42    H    SER   5           HN       SER   5   1.809   7.696   2.045
   43    HA   SER   5           HA       SER   5   1.426   9.456   4.282
   44    HB2  SER   5           HB2      SER   5   4.095   8.005   3.848
   45    HB3  SER   5           HB1      SER   5   3.864   9.423   4.947
   46    HG   SER   5           HG       SER   5   1.998   7.613   5.491
   47    H    ARG   6           HN       ARG   6   2.793   8.475   1.235
   48    HA   ARG   6           HA       ARG   6   3.483  11.220   0.738
   49    HB2  ARG   6           HB2      ARG   6   5.169  10.385  -0.585
   50    HB3  ARG   6           HB1      ARG   6   4.925   8.915   0.424
   51    HG2  ARG   6           HG2      ARG   6   4.766   7.960  -1.706
   52    HG3  ARG   6           HG1      ARG   6   3.030   8.337  -1.401
   53    HD2  ARG   6           HD2      ARG   6   3.686   9.070  -3.694
   54    HD3  ARG   6           HD1      ARG   6   3.310  10.512  -2.660
   55    HE   ARG   6           HE       ARG   6   5.604  11.116  -2.690
   56   HH11  ARG   6          HH11      ARG   6   5.080   7.889  -4.120
   57   HH12  ARG   6          HH12      ARG   6   6.678   7.751  -4.772
   58   HH21  ARG   6          HH21      ARG   6   7.775  10.922  -3.579
   59   HH22  ARG   6          HH22      ARG   6   8.234   9.503  -4.459
   60    H    ILE   7           HN       ILE   7   1.234   8.689   0.431
   61    HA   ILE   7           HA       ILE   7   0.318   9.435  -2.102
   62    HB   ILE   7           HB       ILE   7  -0.188   7.480  -0.069
   63   HG12  ILE   7          HG12      ILE   7   0.768   6.983  -2.163
   64   HG13  ILE   7          HG11      ILE   7  -0.864   6.183  -2.100
   65   HG21  ILE   7          HG21      ILE   7  -2.356   8.647   0.263
   66   HG22  ILE   7          HG22      ILE   7  -2.593   7.025  -0.485
   67   HG23  ILE   7          HG23      ILE   7  -2.695   8.504  -1.506
   68   HD11  ILE   7          HD11      ILE   7   0.080   8.402  -3.794
   69   HD12  ILE   7          HD12      ILE   7  -1.381   8.866  -2.816
   70   HD13  ILE   7          HD13      ILE   7  -1.439   7.424  -3.946
   71    H    ILE   8           HN       ILE   8   0.386  10.559   0.772
   72    HA   ILE   8           HA       ILE   8  -2.274  11.421   0.626
   73    HB   ILE   8           HB       ILE   8  -0.129  10.886   2.470
   74   HG12  ILE   8          HG12      ILE   8  -3.144  10.429   2.558
   75   HG13  ILE   8          HG11      ILE   8  -1.878   9.329   1.894
   76   HG21  ILE   8          HG21      ILE   8  -0.482  13.137   3.350
   77   HG22  ILE   8          HG22      ILE   8  -1.550  12.123   4.392
   78   HG23  ILE   8          HG23      ILE   8  -2.259  13.075   3.033
   79   HD11  ILE   8          HD11      ILE   8  -2.572   9.929   4.780
   80   HD12  ILE   8          HD12      ILE   8  -0.833   9.659   4.378
   81   HD13  ILE   8          HD13      ILE   8  -2.053   8.386   4.000
   82    H    LEU   9           HN       LEU   9  -0.164  11.933  -0.987
   83    HA   LEU   9           HA       LEU   9  -0.159  14.781  -1.261
   84    HB2  LEU   9           HB2      LEU   9   2.352  13.185  -1.720
   85    HB3  LEU   9           HB1      LEU   9   2.216  14.961  -1.436
   86    HG   LEU   9           HG       LEU   9   1.753  12.779   0.589
   87   HD11  LEU   9          HD11      LEU   9   3.946  13.261   1.523
   88   HD12  LEU   9          HD12      LEU   9   4.132  14.736   0.501
   89   HD13  LEU   9          HD13      LEU   9   4.183  13.101  -0.261
   90   HD21  LEU   9          HD21      LEU   9   2.223  15.658   1.388
   91   HD22  LEU   9          HD22      LEU   9   1.244  14.360   2.184
   92   HD23  LEU   9          HD23      LEU   9   0.630  15.177   0.710
   93    H    DAS  10           HN       DAS  10   0.530  11.539  -2.072
   94    HA   DAS  10           HA       DAS  10   0.517  10.484  -3.940
   95    HB2  DAS  10           HB2      DAS  10   0.321  12.935  -5.624
   96    HB3  DAS  10           HB1      DAS  10   1.806  12.691  -4.661
   97    H    PHE  11           HN       PHE  11  -1.747  12.530  -2.820
   98    HA   PHE  11           HA       PHE  11  -3.686  11.864  -4.889
   99    HB2  PHE  11           HB2      PHE  11  -5.194  10.848  -3.364
  100    HB3  PHE  11           HB1      PHE  11  -3.610  10.330  -2.664
  101    HD1  PHE  11           HD1      PHE  11  -6.588  11.164  -1.517
  102    HD2  PHE  11           HD2      PHE  11  -2.658  12.681  -1.503
  103    HE1  PHE  11           HE1      PHE  11  -7.027  12.372   0.559
  104    HE2  PHE  11           HE2      PHE  11  -3.045  13.855   0.447
  105    HZ   PHE  11           HZ       PHE  11  -5.258  13.747   1.593
  106    H    LEU  12           HN       LEU  12  -1.886  14.115  -3.355
  107    HA   LEU  12           HA       LEU  12  -4.021  15.813  -2.449
  108    HB2  LEU  12           HB2      LEU  12  -1.021  15.926  -2.442
  109    HB3  LEU  12           HB1      LEU  12  -1.966  17.440  -2.215
  110    HG   LEU  12           HG       LEU  12  -2.046  14.938  -0.583
  111   HD11  LEU  12          HD11      LEU  12   0.025  16.352  -0.525
  112   HD12  LEU  12          HD12      LEU  12  -0.822  16.249   1.076
  113   HD13  LEU  12          HD13      LEU  12  -0.979  17.737   0.064
  114   HD21  LEU  12          HD21      LEU  12  -3.434  16.415   1.022
  115   HD22  LEU  12          HD22      LEU  12  -4.265  15.864  -0.484
  116   HD23  LEU  12          HD23      LEU  12  -3.632  17.550  -0.367
  117    H    PHE  13           HN       PHE  13  -1.131  15.886  -4.391
  118    HA   PHE  13           HA       PHE  13  -2.186  18.360  -5.552
  119    HB2  PHE  13           HB2      PHE  13  -0.072  17.308  -7.211
  120    HB3  PHE  13           HB1      PHE  13   0.024  18.734  -6.117
  121    HD1  PHE  13           HD1      PHE  13   1.160  15.776  -6.998
  122    HD2  PHE  13           HD2      PHE  13   0.227  18.118  -3.625
  123    HE1  PHE  13           HE1      PHE  13   2.411  14.302  -5.673
  124    HE2  PHE  13           HE2      PHE  13   1.536  16.631  -2.256
  125    HZ   PHE  13           HZ       PHE  13   2.584  14.720  -3.331
  126    H    LEU  14           HN       LEU  14  -2.135  15.055  -5.563
  127    HA   LEU  14           HA       LEU  14  -2.381  14.666  -8.339
  128    HB2  LEU  14           HB2      LEU  14  -2.354  13.011  -5.886
  129    HB3  LEU  14           HB1      LEU  14  -3.363  12.334  -7.229
  130    HG   LEU  14           HG       LEU  14  -0.781  11.752  -7.068
  131   HD11  LEU  14          HD11      LEU  14  -0.835  12.195  -9.818
  132   HD12  LEU  14          HD12      LEU  14  -2.591  12.282  -9.399
  133   HD13  LEU  14          HD13      LEU  14  -1.632  10.808  -8.980
  134   HD21  LEU  14          HD21      LEU  14  -0.193  14.286  -6.918
  135   HD22  LEU  14          HD22      LEU  14  -0.507  14.344  -8.695
  136   HD23  LEU  14          HD23      LEU  14   0.788  13.271  -8.042
  137    H    ARG  15           HN       ARG  15  -4.271  15.890  -5.940
  138    HA   ARG  15           HA       ARG  15  -6.804  15.129  -7.009
  139    HB2  ARG  15           HB2      ARG  15  -5.618  15.914  -4.635
  140    HB3  ARG  15           HB1      ARG  15  -6.605  17.323  -5.113
  141    HG2  ARG  15           HG2      ARG  15  -8.598  16.249  -4.697
  142    HG3  ARG  15           HG1      ARG  15  -7.976  14.645  -5.236
  143    HD2  ARG  15           HD2      ARG  15  -8.380  15.278  -2.571
  144    HD3  ARG  15           HD1      ARG  15  -7.124  14.109  -3.168
  145    HE   ARG  15           HE       ARG  15  -5.521  15.549  -2.377
  146   HH11  ARG  15          HH11      ARG  15  -8.401  17.475  -3.182
  147   HH12  ARG  15          HH12      ARG  15  -7.634  19.005  -2.921
  148   HH21  ARG  15          HH21      ARG  15  -4.427  17.579  -2.221
  149   HH22  ARG  15          HH22      ARG  15  -5.313  19.069  -2.361
  150    H    LYS  16           HN       LYS  16  -4.668  17.751  -6.324
  151    HA   LYS  16           HA       LYS  16  -6.131  19.897  -7.229
  152    HB2  LYS  16           HB2      LYS  16  -3.194  19.277  -6.908
  153    HB3  LYS  16           HB1      LYS  16  -3.747  20.911  -7.439
  154    HG2  LYS  16           HG2      LYS  16  -5.026  21.177  -5.339
  155    HG3  LYS  16           HG1      LYS  16  -4.586  19.505  -4.839
  156    HD2  LYS  16           HD2      LYS  16  -2.194  20.097  -4.812
  157    HD3  LYS  16           HD1      LYS  16  -2.571  21.743  -5.425
  158    HE2  LYS  16           HE2      LYS  16  -3.633  20.633  -2.738
  159    HE3  LYS  16           HE1      LYS  16  -2.131  21.635  -2.901
  160    HZ1  LYS  16           HZ1      LYS  16  -4.310  22.828  -4.268
  161    HZ2  LYS  16           HZ2      LYS  16  -3.352  23.431  -3.003
  162    HZ3  LYS  16           HZ3      LYS  16  -4.732  22.504  -2.656
  163    H    LYS  17           HN       LYS  17  -3.677  17.853  -8.841
  164    HA   LYS  17           HA       LYS  17  -4.854  18.792 -11.296
  165    HB2  LYS  17           HB2      LYS  17  -2.353  18.744 -12.272
  166    HB3  LYS  17           HB1      LYS  17  -3.037  20.243 -11.561
  167    HG2  LYS  17           HG2      LYS  17  -1.641  18.357  -9.653
  168    HG3  LYS  17           HG1      LYS  17  -0.611  19.195 -10.859
  169    HD2  LYS  17           HD2      LYS  17  -1.030  21.315  -9.972
  170    HD3  LYS  17           HD1      LYS  17  -2.646  20.859  -9.334
  171    HE2  LYS  17           HE2      LYS  17  -1.376  21.026  -7.335
  172    HE3  LYS  17           HE1      LYS  17  -1.219  19.260  -7.705
  173    HZ1  LYS  17           HZ1      LYS  17   0.856  20.603  -7.168
  174    HZ2  LYS  17           HZ2      LYS  17   0.732  21.231  -8.740
  175    HZ3  LYS  17           HZ3      LYS  17   0.904  19.558  -8.505
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1   9.656   4.336   4.375
    2    H2   GLU   1           HT2      GLU   1  10.754   3.454   3.426
    3    H3   GLU   1           HT3      GLU   1   9.357   2.699   4.030
    4    HA   GLU   1           HA       GLU   1   9.064   5.055   2.350
    5    HB2  GLU   1           HB2      GLU   1   8.948   3.451   0.319
    6    HB3  GLU   1           HB1      GLU   1  10.589   3.832   0.948
    7    HG2  GLU   1           HG2      GLU   1  10.602   1.658   2.236
    8    HG3  GLU   1           HG1      GLU   1   8.970   1.264   1.561
    9    H    MET   2           HN       MET   2   6.891   5.497   2.193
   10    HA   MET   2           HA       MET   2   5.102   3.206   2.230
   11    HB2  MET   2           HB2      MET   2   5.247   5.364   4.322
   12    HB3  MET   2           HB1      MET   2   3.604   5.018   3.679
   13    HG2  MET   2           HG2      MET   2   4.004   2.555   4.179
   14    HG3  MET   2           HG1      MET   2   5.541   3.016   4.980
   15    HE1  MET   2           HE1      MET   2   5.954   4.079   6.867
   16    HE2  MET   2           HE2      MET   2   4.854   4.578   8.196
   17    HE3  MET   2           HE3      MET   2   5.048   5.628   6.752
   18    H    ARG   3           HN       ARG   3   3.163   3.570   1.066
   19    HA   ARG   3           HA       ARG   3   3.210   6.092  -0.395
   20    HB2  ARG   3           HB2      ARG   3   2.355   3.282  -1.171
   21    HB3  ARG   3           HB1      ARG   3   1.555   4.699  -1.947
   22    HG2  ARG   3           HG2      ARG   3   3.361   4.190  -3.397
   23    HG3  ARG   3           HG1      ARG   3   3.912   5.596  -2.411
   24    HD2  ARG   3           HD2      ARG   3   5.338   4.228  -1.024
   25    HD3  ARG   3           HD1      ARG   3   4.591   2.687  -1.640
   26    HE   ARG   3           HE       ARG   3   5.690   4.139  -3.877
   27   HH11  ARG   3          HH11      ARG   3   6.634   2.384  -0.928
   28   HH12  ARG   3          HH12      ARG   3   8.177   1.875  -1.536
   29   HH21  ARG   3          HH21      ARG   3   7.784   3.443  -4.709
   30   HH22  ARG   3          HH22      ARG   3   8.837   2.487  -3.721
   31    H    ILE   4           HN       ILE   4   2.458   5.839   2.133
   32    HA   ILE   4           HA       ILE   4  -0.335   6.583   1.949
   33    HB   ILE   4           HB       ILE   4   0.066   5.281   4.468
   34   HG12  ILE   4          HG12      ILE   4   1.887   4.062   3.057
   35   HG13  ILE   4          HG11      ILE   4   0.726   3.068   4.001
   36   HG21  ILE   4          HG21      ILE   4  -2.138   5.578   3.587
   37   HG22  ILE   4          HG22      ILE   4  -1.858   3.801   3.457
   38   HG23  ILE   4          HG23      ILE   4  -1.704   4.849   1.996
   39   HD11  ILE   4          HD11      ILE   4   1.339   2.774   1.261
   40   HD12  ILE   4          HD12      ILE   4  -0.247   3.629   1.237
   41   HD13  ILE   4          HD13      ILE   4  -0.085   2.055   2.108
   42    H    SER   5           HN       SER   5   2.294   7.612   1.971
   43    HA   SER   5           HA       SER   5   1.968   9.602   3.928
   44    HB2  SER   5           HB2      SER   5   4.394   7.708   4.213
   45    HB3  SER   5           HB1      SER   5   4.323   9.359   4.947
   46    HG   SER   5           HG       SER   5   2.139   7.755   5.462
   47    H    ARG   6           HN       ARG   6   1.821   9.177   1.234
   48    HA   ARG   6           HA       ARG   6   3.571  11.068   0.300
   49    HB2  ARG   6           HB2      ARG   6   5.290   9.845  -0.541
   50    HB3  ARG   6           HB1      ARG   6   4.613   8.412   0.301
   51    HG2  ARG   6           HG2      ARG   6   4.787   7.724  -1.955
   52    HG3  ARG   6           HG1      ARG   6   3.053   8.147  -1.753
   53    HD2  ARG   6           HD2      ARG   6   3.744   9.174  -3.855
   54    HD3  ARG   6           HD1      ARG   6   3.688  10.525  -2.643
   55    HE   ARG   6           HE       ARG   6   6.048  10.686  -2.743
   56   HH11  ARG   6          HH11      ARG   6   4.887   7.747  -4.397
   57   HH12  ARG   6          HH12      ARG   6   6.413   7.370  -5.123
   58   HH21  ARG   6          HH21      ARG   6   8.117  10.169  -3.731
   59   HH22  ARG   6          HH22      ARG   6   8.280   8.771  -4.737
   60    H    ILE   7           HN       ILE   7   1.169   8.418   0.013
   61    HA   ILE   7           HA       ILE   7   0.108   9.725  -2.379
   62    HB   ILE   7           HB       ILE   7  -0.913   7.342  -0.900
   63   HG12  ILE   7          HG12      ILE   7   1.175   6.741  -1.679
   64   HG13  ILE   7          HG11      ILE   7   0.104   6.240  -3.051
   65   HG21  ILE   7          HG21      ILE   7  -1.904   7.182  -3.488
   66   HG22  ILE   7          HG22      ILE   7  -1.839   8.971  -3.240
   67   HG23  ILE   7          HG23      ILE   7  -2.786   7.941  -2.104
   68   HD11  ILE   7          HD11      ILE   7   1.940   7.567  -4.012
   69   HD12  ILE   7          HD12      ILE   7   1.697   8.847  -2.744
   70   HD13  ILE   7          HD13      ILE   7   0.448   8.593  -4.007
   71    H    ILE   8           HN       ILE   8   0.534  10.498   0.250
   72    HA   ILE   8           HA       ILE   8  -2.115  11.146   0.657
   73    HB   ILE   8           HB       ILE   8   0.251  10.348   2.073
   74   HG12  ILE   8          HG12      ILE   8  -2.779  10.070   2.471
   75   HG13  ILE   8          HG11      ILE   8  -1.619   8.903   1.734
   76   HG21  ILE   8          HG21      ILE   8  -0.663  11.466   4.319
   77   HG22  ILE   8          HG22      ILE   8  -1.641  12.544   3.255
   78   HG23  ILE   8          HG23      ILE   8   0.161  12.568   3.154
   79   HD11  ILE   8          HD11      ILE   8  -1.547   7.940   3.799
   80   HD12  ILE   8          HD12      ILE   8  -2.264   9.389   4.606
   81   HD13  ILE   8          HD13      ILE   8  -0.495   9.334   4.251
   82    H    LEU   9           HN       LEU   9  -0.167  11.793  -1.145
   83    HA   LEU   9           HA       LEU   9  -0.152  14.656  -1.152
   84    HB2  LEU   9           HB2      LEU   9   2.347  13.120  -1.875
   85    HB3  LEU   9           HB1      LEU   9   2.211  14.870  -1.475
   86    HG   LEU   9           HG       LEU   9   1.867  12.568   0.445
   87   HD11  LEU   9          HD11      LEU   9   4.216  14.560   0.402
   88   HD12  LEU   9          HD12      LEU   9   4.256  13.019  -0.535
   89   HD13  LEU   9          HD13      LEU   9   4.103  12.981   1.266
   90   HD21  LEU   9          HD21      LEU   9   0.733  14.946   0.746
   91   HD22  LEU   9          HD22      LEU   9   2.354  15.407   1.375
   92   HD23  LEU   9          HD23      LEU   9   1.424  14.057   2.141
   93    H    DAS  10           HN       DAS  10   0.585  11.517  -2.300
   94    HA   DAS  10           HA       DAS  10   0.448  10.650  -4.262
   95    HB2  DAS  10           HB2      DAS  10   0.043  13.201  -5.724
   96    HB3  DAS  10           HB1      DAS  10   1.578  13.017  -4.828
   97    H    PHE  11           HN       PHE  11  -1.773  12.513  -2.791
   98    HA   PHE  11           HA       PHE  11  -3.858  11.985  -4.746
   99    HB2  PHE  11           HB2      PHE  11  -5.135  10.631  -3.269
  100    HB3  PHE  11           HB1      PHE  11  -3.471  10.197  -2.704
  101    HD1  PHE  11           HD1      PHE  11  -6.498  10.832  -1.380
  102    HD2  PHE  11           HD2      PHE  11  -2.572  12.341  -1.372
  103    HE1  PHE  11           HE1      PHE  11  -6.892  11.930   0.755
  104    HE2  PHE  11           HE2      PHE  11  -2.909  13.422   0.630
  105    HZ   PHE  11           HZ       PHE  11  -5.097  13.248   1.834
  106    H    LEU  12           HN       LEU  12  -2.031  14.180  -3.304
  107    HA   LEU  12           HA       LEU  12  -4.177  15.648  -2.018
  108    HB2  LEU  12           HB2      LEU  12  -1.185  15.945  -2.155
  109    HB3  LEU  12           HB1      LEU  12  -2.214  17.346  -1.698
  110    HG   LEU  12           HG       LEU  12  -2.047  14.674  -0.371
  111   HD11  LEU  12          HD11      LEU  12  -0.048  16.183  -0.296
  112   HD12  LEU  12          HD12      LEU  12  -0.769  15.856   1.337
  113   HD13  LEU  12          HD13      LEU  12  -1.069  17.437   0.517
  114   HD21  LEU  12          HD21      LEU  12  -4.294  15.452  -0.053
  115   HD22  LEU  12          HD22      LEU  12  -3.752  17.157   0.181
  116   HD23  LEU  12          HD23      LEU  12  -3.414  15.919   1.454
  117    H    PHE  13           HN       PHE  13  -1.410  15.999  -4.106
  118    HA   PHE  13           HA       PHE  13  -2.631  18.539  -4.968
  119    HB2  PHE  13           HB2      PHE  13  -0.486  17.911  -6.753
  120    HB3  PHE  13           HB1      PHE  13  -0.432  19.118  -5.422
  121    HD1  PHE  13           HD1      PHE  13   0.699  16.326  -6.822
  122    HD2  PHE  13           HD2      PHE  13   0.011  18.192  -3.111
  123    HE1  PHE  13           HE1      PHE  13   2.084  14.727  -5.806
  124    HE2  PHE  13           HE2      PHE  13   1.452  16.574  -2.055
  125    HZ   PHE  13           HZ       PHE  13   2.439  14.833  -3.452
  126    H    LEU  14           HN       LEU  14  -2.399  15.222  -5.352
  127    HA   LEU  14           HA       LEU  14  -2.523  15.152  -8.162
  128    HB2  LEU  14           HB2      LEU  14  -2.596  13.218  -5.921
  129    HB3  LEU  14           HB1      LEU  14  -3.611  12.715  -7.341
  130    HG   LEU  14           HG       LEU  14  -1.005  12.096  -7.166
  131   HD11  LEU  14          HD11      LEU  14  -2.773  12.763  -9.525
  132   HD12  LEU  14          HD12      LEU  14  -1.987  11.205  -9.058
  133   HD13  LEU  14          HD13      LEU  14  -1.019  12.496  -9.869
  134   HD21  LEU  14          HD21      LEU  14  -0.385  14.619  -6.969
  135   HD22  LEU  14          HD22      LEU  14  -0.743  14.724  -8.737
  136   HD23  LEU  14          HD23      LEU  14   0.555  13.625  -8.143
  137    H    ARG  15           HN       ARG  15  -4.464  16.567  -6.180
  138    HA   ARG  15           HA       ARG  15  -6.912  15.729  -7.446
  139    HB2  ARG  15           HB2      ARG  15  -6.047  16.507  -4.820
  140    HB3  ARG  15           HB1      ARG  15  -7.239  17.726  -5.400
  141    HG2  ARG  15           HG2      ARG  15  -8.944  16.320  -4.882
  142    HG3  ARG  15           HG1      ARG  15  -8.299  15.103  -6.043
  143    HD2  ARG  15           HD2      ARG  15  -6.600  15.038  -3.697
  144    HD3  ARG  15           HD1      ARG  15  -8.322  14.989  -3.129
  145    HE   ARG  15           HE       ARG  15  -8.540  12.858  -4.132
  146   HH11  ARG  15          HH11      ARG  15  -5.667  14.510  -5.401
  147   HH12  ARG  15          HH12      ARG  15  -4.985  13.086  -6.117
  148   HH21  ARG  15          HH21      ARG  15  -7.609  10.929  -5.065
  149   HH22  ARG  15          HH22      ARG  15  -6.108  11.021  -5.925
  150    H    LYS  16           HN       LYS  16  -4.518  18.142  -6.896
  151    HA   LYS  16           HA       LYS  16  -5.860  20.425  -7.723
  152    HB2  LYS  16           HB2      LYS  16  -2.940  19.568  -7.727
  153    HB3  LYS  16           HB1      LYS  16  -3.455  21.222  -8.220
  154    HG2  LYS  16           HG2      LYS  16  -4.447  21.581  -5.981
  155    HG3  LYS  16           HG1      LYS  16  -4.024  19.894  -5.522
  156    HD2  LYS  16           HD2      LYS  16  -2.280  21.181  -4.584
  157    HD3  LYS  16           HD1      LYS  16  -1.594  20.512  -6.102
  158    HE2  LYS  16           HE2      LYS  16  -1.927  22.664  -7.280
  159    HE3  LYS  16           HE1      LYS  16  -2.767  23.360  -5.831
  160    HZ1  LYS  16           HZ1      LYS  16  -0.593  22.714  -4.649
  161    HZ2  LYS  16           HZ2      LYS  16  -0.640  24.103  -5.625
  162    HZ3  LYS  16           HZ3      LYS  16   0.074  22.678  -6.210
  163    H    LYS  17           HN       LYS  17  -4.095  17.834  -9.328
  164    HA   LYS  17           HA       LYS  17  -3.845  19.071 -11.789
  165    HB2  LYS  17           HB2      LYS  17  -4.383  16.083 -11.687
  166    HB3  LYS  17           HB1      LYS  17  -3.229  16.986 -12.728
  167    HG2  LYS  17           HG2      LYS  17  -2.911  16.513  -9.701
  168    HG3  LYS  17           HG1      LYS  17  -2.092  15.585 -10.997
  169    HD2  LYS  17           HD2      LYS  17  -0.509  17.187 -11.305
  170    HD3  LYS  17           HD1      LYS  17  -1.720  18.516 -11.315
  171    HE2  LYS  17           HE2      LYS  17  -1.658  18.755  -8.920
  172    HE3  LYS  17           HE1      LYS  17  -0.872  17.137  -8.693
  173    HZ1  LYS  17           HZ1      LYS  17   1.134  17.952  -9.277
  174    HZ2  LYS  17           HZ2      LYS  17   0.464  19.377  -8.643
  175    HZ3  LYS  17           HZ3      LYS  17   0.521  19.140 -10.322
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1   6.724   1.373  -2.835
    2    H2   GLU   1           HT2      GLU   1   7.553   2.795  -2.420
    3    H3   GLU   1           HT3      GLU   1   5.870   2.829  -2.648
    4    HA   GLU   1           HA       GLU   1   6.140   0.933  -0.777
    5    HB2  GLU   1           HB2      GLU   1   8.193   3.169  -0.316
    6    HB3  GLU   1           HB1      GLU   1   7.572   2.130   1.015
    7    HG2  GLU   1           HG2      GLU   1   8.496   0.095  -0.070
    8    HG3  GLU   1           HG1      GLU   1   9.029   1.066  -1.500
    9    H    MET   2           HN       MET   2   6.214   4.522  -1.197
   10    HA   MET   2           HA       MET   2   4.730   6.080  -0.615
   11    HB2  MET   2           HB2      MET   2   2.918   3.983   0.682
   12    HB3  MET   2           HB1      MET   2   2.467   5.658   0.207
   13    HG2  MET   2           HG2      MET   2   2.589   5.077  -2.164
   14    HG3  MET   2           HG1      MET   2   3.388   3.513  -1.823
   15    HE1  MET   2           HE1      MET   2   0.012   2.472  -3.405
   16    HE2  MET   2           HE2      MET   2   1.806   2.376  -3.444
   17    HE3  MET   2           HE3      MET   2   0.984   3.942  -3.763
   18    H    ARG   3           HN       ARG   3   3.977   7.233   1.362
   19    HA   ARG   3           HA       ARG   3   5.287   6.078   3.653
   20    HB2  ARG   3           HB2      ARG   3   4.595   9.014   3.285
   21    HB3  ARG   3           HB1      ARG   3   5.574   8.296   4.617
   22    HG2  ARG   3           HG2      ARG   3   6.312   8.471   1.646
   23    HG3  ARG   3           HG1      ARG   3   7.110   9.313   3.026
   24    HD2  ARG   3           HD2      ARG   3   7.775   7.031   3.964
   25    HD3  ARG   3           HD1      ARG   3   7.071   6.265   2.470
   26    HE   ARG   3           HE       ARG   3   9.015   8.392   1.854
   27   HH11  ARG   3          HH11      ARG   3   8.535   4.982   2.765
   28   HH12  ARG   3          HH12      ARG   3  10.028   4.427   2.081
   29   HH21  ARG   3          HH21      ARG   3  11.051   7.642   0.934
   30   HH22  ARG   3          HH22      ARG   3  11.484   5.967   1.029
   31    H    ILE   4           HN       ILE   4   2.496   6.401   2.103
   32    HA   ILE   4           HA       ILE   4   0.349   6.265   2.667
   33    HB   ILE   4           HB       ILE   4   0.763   5.609   5.519
   34   HG12  ILE   4          HG12      ILE   4   2.827   4.708   4.618
   35   HG13  ILE   4          HG11      ILE   4   1.719   3.375   5.058
   36   HG21  ILE   4          HG21      ILE   4  -0.780   3.689   4.794
   37   HG22  ILE   4          HG22      ILE   4  -0.713   4.344   3.113
   38   HG23  ILE   4          HG23      ILE   4  -1.428   5.336   4.440
   39   HD11  ILE   4          HD11      ILE   4   1.357   4.117   2.230
   40   HD12  ILE   4          HD12      ILE   4   1.859   2.531   2.936
   41   HD13  ILE   4          HD13      ILE   4   3.102   3.802   2.586
   42    H    SER   5           HN       SER   5   2.098   8.397   3.008
   43    HA   SER   5           HA       SER   5   0.330  10.125   3.983
   44    HB2  SER   5           HB2      SER   5   1.735  11.210   5.874
   45    HB3  SER   5           HB1      SER   5   0.971   9.638   6.331
   46    HG   SER   5           HG       SER   5   2.938   8.628   5.739
   47    H    ARG   6           HN       ARG   6   1.650   9.406   1.765
   48    HA   ARG   6           HA       ARG   6   3.132  11.758   1.249
   49    HB2  ARG   6           HB2      ARG   6   5.123  10.598   1.262
   50    HB3  ARG   6           HB1      ARG   6   4.241   9.047   1.436
   51    HG2  ARG   6           HG2      ARG   6   5.489   8.966  -0.645
   52    HG3  ARG   6           HG1      ARG   6   3.734   9.076  -1.032
   53    HD2  ARG   6           HD2      ARG   6   4.668  10.693  -2.511
   54    HD3  ARG   6           HD1      ARG   6   4.194  11.710  -1.082
   55    HE   ARG   6           HE       ARG   6   6.494  12.007  -0.556
   56   HH11  ARG   6          HH11      ARG   6   6.048   9.556  -3.109
   57   HH12  ARG   6          HH12      ARG   6   7.728   9.457  -3.517
   58   HH21  ARG   6          HH21      ARG   6   8.774  11.870  -1.116
   59   HH22  ARG   6          HH22      ARG   6   9.302  10.793  -2.365
   60    H    ILE   7           HN       ILE   7   1.519   8.665   0.357
   61    HA   ILE   7           HA       ILE   7   1.155   9.791  -2.318
   62    HB   ILE   7           HB       ILE   7  -0.938   7.854  -1.696
   63   HG12  ILE   7          HG12      ILE   7   0.684   5.896  -1.562
   64   HG13  ILE   7          HG11      ILE   7   1.927   7.096  -1.037
   65   HG21  ILE   7          HG21      ILE   7   1.462   7.866  -3.648
   66   HG22  ILE   7          HG22      ILE   7  -0.204   8.474  -3.979
   67   HG23  ILE   7          HG23      ILE   7   0.076   6.712  -3.712
   68   HD11  ILE   7          HD11      ILE   7  -0.284   5.945   0.512
   69   HD12  ILE   7          HD12      ILE   7  -0.475   7.747   0.388
   70   HD13  ILE   7          HD13      ILE   7   1.046   7.037   1.057
   71    H    ILE   8           HN       ILE   8   0.293  10.331   0.702
   72    HA   ILE   8           HA       ILE   8  -2.439  10.729   0.142
   73    HB   ILE   8           HB       ILE   8  -0.701  10.638   2.541
   74   HG12  ILE   8          HG12      ILE   8  -3.295   9.208   1.726
   75   HG13  ILE   8          HG11      ILE   8  -1.637   8.627   1.369
   76   HG21  ILE   8          HG21      ILE   8  -3.471  11.965   2.276
   77   HG22  ILE   8          HG22      ILE   8  -2.070  12.448   3.308
   78   HG23  ILE   8          HG23      ILE   8  -3.097  11.044   3.782
   79   HD11  ILE   8          HD11      ILE   8  -3.211   8.344   3.833
   80   HD12  ILE   8          HD12      ILE   8  -1.633   9.149   4.166
   81   HD13  ILE   8          HD13      ILE   8  -1.668   7.538   3.353
   82    H    LEU   9           HN       LEU   9  -0.226  11.864  -0.986
   83    HA   LEU   9           HA       LEU   9  -0.802  14.661  -0.912
   84    HB2  LEU   9           HB2      LEU   9   2.035  13.620  -0.964
   85    HB3  LEU   9           HB1      LEU   9   1.495  15.305  -0.615
   86    HG   LEU   9           HG       LEU   9   1.097  12.876   1.133
   87   HD11  LEU   9          HD11      LEU   9   2.939  15.281   1.719
   88   HD12  LEU   9          HD12      LEU   9   3.524  13.834   0.817
   89   HD13  LEU   9          HD13      LEU   9   2.929  13.662   2.513
   90   HD21  LEU   9          HD21      LEU   9  -0.536  14.941   1.161
   91   HD22  LEU   9          HD22      LEU   9   0.756  15.728   2.127
   92   HD23  LEU   9          HD23      LEU   9  -0.006  14.190   2.698
   93    H    DAS  10           HN       DAS  10   0.791  11.822  -1.912
   94    HA   DAS  10           HA       DAS  10   1.374  11.112  -3.873
   95    HB2  DAS  10           HB2      DAS  10   0.846  13.689  -5.258
   96    HB3  DAS  10           HB1      DAS  10   2.155  13.641  -4.041
   97    H    PHE  11           HN       PHE  11  -1.499  12.245  -2.941
   98    HA   PHE  11           HA       PHE  11  -2.804  11.588  -5.484
   99    HB2  PHE  11           HB2      PHE  11  -4.314  10.087  -4.439
  100    HB3  PHE  11           HB1      PHE  11  -2.822   9.796  -3.465
  101    HD1  PHE  11           HD1      PHE  11  -6.086   9.872  -2.928
  102    HD2  PHE  11           HD2      PHE  11  -2.653  12.080  -1.885
  103    HE1  PHE  11           HE1      PHE  11  -7.178  10.671  -0.895
  104    HE2  PHE  11           HE2      PHE  11  -3.664  12.873   0.037
  105    HZ   PHE  11           HZ       PHE  11  -5.985  12.190   0.640
  106    H    LEU  12           HN       LEU  12  -1.935  13.928  -3.370
  107    HA   LEU  12           HA       LEU  12  -4.551  14.951  -2.783
  108    HB2  LEU  12           HB2      LEU  12  -1.733  15.751  -2.135
  109    HB3  LEU  12           HB1      LEU  12  -3.059  16.955  -1.964
  110    HG   LEU  12           HG       LEU  12  -2.790  14.290  -0.642
  111   HD11  LEU  12          HD11      LEU  12  -1.191  16.121  -0.023
  112   HD12  LEU  12          HD12      LEU  12  -2.245  15.582   1.352
  113   HD13  LEU  12          HD13      LEU  12  -2.603  17.130   0.492
  114   HD21  LEU  12          HD21      LEU  12  -5.155  14.673  -0.926
  115   HD22  LEU  12          HD22      LEU  12  -4.992  16.417  -0.487
  116   HD23  LEU  12          HD23      LEU  12  -4.769  15.144   0.774
  117    H    PHE  13           HN       PHE  13  -1.478  15.971  -4.052
  118    HA   PHE  13           HA       PHE  13  -2.893  18.300  -5.127
  119    HB2  PHE  13           HB2      PHE  13  -0.325  18.023  -6.412
  120    HB3  PHE  13           HB1      PHE  13  -0.783  19.240  -5.167
  121    HD1  PHE  13           HD1      PHE  13   1.215  16.814  -6.118
  122    HD2  PHE  13           HD2      PHE  13  -0.891  18.264  -2.769
  123    HE1  PHE  13           HE1      PHE  13   2.546  15.459  -4.737
  124    HE2  PHE  13           HE2      PHE  13   0.487  16.896  -1.335
  125    HZ   PHE  13           HZ       PHE  13   2.172  15.497  -2.381
  126    H    LEU  14           HN       LEU  14  -2.015  15.131  -5.497
  127    HA   LEU  14           HA       LEU  14  -1.659  15.150  -8.287
  128    HB2  LEU  14           HB2      LEU  14  -1.657  13.172  -6.086
  129    HB3  LEU  14           HB1      LEU  14  -2.199  12.510  -7.683
  130    HG   LEU  14           HG       LEU  14   0.378  12.516  -7.043
  131   HD11  LEU  14          HD11      LEU  14  -1.066  12.986  -9.629
  132   HD12  LEU  14          HD12      LEU  14   0.149  11.724  -9.185
  133   HD13  LEU  14          HD13      LEU  14   0.698  13.372  -9.673
  134   HD21  LEU  14          HD21      LEU  14   1.650  14.491  -7.480
  135   HD22  LEU  14          HD22      LEU  14   0.255  15.063  -6.491
  136   HD23  LEU  14          HD23      LEU  14   0.262  15.328  -8.277
  137    H    ARG  15           HN       ARG  15  -4.198  15.500  -6.222
  138    HA   ARG  15           HA       ARG  15  -6.222  14.368  -7.882
  139    HB2  ARG  15           HB2      ARG  15  -5.715  15.043  -5.244
  140    HB3  ARG  15           HB1      ARG  15  -6.930  16.239  -5.770
  141    HG2  ARG  15           HG2      ARG  15  -8.621  14.682  -5.881
  142    HG3  ARG  15           HG1      ARG  15  -7.528  13.368  -6.452
  143    HD2  ARG  15           HD2      ARG  15  -8.535  13.472  -3.872
  144    HD3  ARG  15           HD1      ARG  15  -6.941  12.722  -4.323
  145    HE   ARG  15           HE       ARG  15  -5.916  14.346  -3.065
  146   HH11  ARG  15          HH11      ARG  15  -8.998  15.678  -4.238
  147   HH12  ARG  15          HH12      ARG  15  -8.696  17.280  -3.655
  148   HH21  ARG  15          HH21      ARG  15  -5.411  16.520  -2.461
  149   HH22  ARG  15          HH22      ARG  15  -6.603  17.775  -2.619
  150    H    LYS  16           HN       LYS  16  -5.011  17.267  -6.466
  151    HA   LYS  16           HA       LYS  16  -6.776  19.144  -7.432
  152    HB2  LYS  16           HB2      LYS  16  -3.912  19.127  -6.500
  153    HB3  LYS  16           HB1      LYS  16  -4.721  20.676  -6.952
  154    HG2  LYS  16           HG2      LYS  16  -6.432  20.299  -5.201
  155    HG3  LYS  16           HG1      LYS  16  -5.702  18.701  -4.814
  156    HD2  LYS  16           HD2      LYS  16  -3.592  19.776  -4.137
  157    HD3  LYS  16           HD1      LYS  16  -4.227  21.384  -4.628
  158    HE2  LYS  16           HE2      LYS  16  -5.508  19.629  -2.423
  159    HE3  LYS  16           HE1      LYS  16  -4.315  20.957  -2.105
  160    HZ1  LYS  16           HZ1      LYS  16  -5.906  22.427  -2.305
  161    HZ2  LYS  16           HZ2      LYS  16  -7.042  21.167  -2.389
  162    HZ3  LYS  16           HZ3      LYS  16  -6.405  21.834  -3.815
  163    H    LYS  17           HN       LYS  17  -3.592  18.042  -8.637
  164    HA   LYS  17           HA       LYS  17  -4.425  19.163 -11.164
  165    HB2  LYS  17           HB2      LYS  17  -1.803  19.725 -11.470
  166    HB3  LYS  17           HB1      LYS  17  -2.948  20.933 -10.796
  167    HG2  LYS  17           HG2      LYS  17  -1.688  19.064  -8.793
  168    HG3  LYS  17           HG1      LYS  17  -0.575  20.203  -9.609
  169    HD2  LYS  17           HD2      LYS  17  -1.658  22.114  -8.742
  170    HD3  LYS  17           HD1      LYS  17  -3.200  21.241  -8.444
  171    HE2  LYS  17           HE2      LYS  17  -2.379  20.208  -6.434
  172    HE3  LYS  17           HE1      LYS  17  -0.647  20.494  -6.891
  173    HZ1  LYS  17           HZ1      LYS  17  -0.768  22.655  -6.281
  174    HZ2  LYS  17           HZ2      LYS  17  -1.876  21.991  -5.180
  175    HZ3  LYS  17           HZ3      LYS  17  -2.435  22.803  -6.562