*HEADER    TRANSCRIPTION                           28-DEC-03   1RZS              
*TITLE     SOLUTION STRUCTURE OF P22 CRO                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: REGULATORY PROTEIN CRO;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ANTIREPRESSOR;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE P22;                              
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 GENE: CRO;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3;                                  
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET21B                                    
*KEYWDS    HELIX-TURN-HELIX, DNA-BINDING PROTEIN, STRUCTURAL EVOLUTION           
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    T.NEWLOVE, J.H.KONIECZKA, M.H.CORDES                                  
*REVDAT   1   01-JUN-04 1RZS    0                                                
{*Restraints used in P22 Cro structure determination*}
{*intraresidue nOe distance restraints*}
assign (resid 1   and name HA    ) (resid 1   and name HB#   ) 4.5 2.7 0.5
assign (resid 1   and name HA    ) (resid 1   and name HG2   ) 4.5 2.7 0.5
assign (resid 1   and name HA    ) (resid 1   and name HG1   ) 4.5 2.7 0.5
assign (resid 2   and name HN    ) (resid 2   and name HA    ) 4.5 2.7 0.5
assign (resid 2   and name HN    ) (resid 2   and name HB#   ) 4.5 2.7 0.5
assign (resid 2   and name HD#   ) (resid 2   and name HB2   ) 3.4 1.6 0.1
assign (resid 2   and name HD#   ) (resid 2   and name HB1   ) 3.4 1.6 0.1
assign (resid 2   and name HE#   ) (resid 2   and name HB1   ) 4.5 2.7 0.5
assign (resid 2   and name HE#   ) (resid 2   and name HB2   ) 6.0 4.2 0.0
assign (resid 2   and name HD#   ) (resid 2   and name HA    ) 3.4 1.6 0.1
assign (resid 2   and name HE#   ) (resid 2   and name HA    ) 4.5 2.7 0.5
assign (resid 2   and name HN    ) (resid 2   and name HD#   ) 4.5 2.7 0.5
assign (resid 2   and name HA    ) (resid 2   and name HB2   ) 3.4 1.6 0.1
assign (resid 2   and name HA    ) (resid 2   and name HB1   ) 3.4 1.6 0.1
assign (resid 3   and name HN    ) (resid 3   and name HA    ) 3.4 1.6 0.1
assign (resid 3   and name HN    ) (resid 3   and name HB#   ) 3.4 1.6 0.1
assign (resid 3   and name HN    ) (resid 3   and name HD#   ) 6.0 4.2 0.0
assign (resid 3   and name HA    ) (resid 3   and name HD2   ) 6.0 4.2 0.0
assign (resid 3   and name HA    ) (resid 3   and name HD1   ) 6.0 4.2 0.0
assign (resid 3   and name HA    ) (resid 3   and name HG#   ) 3.4 1.6 0.1
assign (resid 3   and name HE#   ) (resid 3   and name HB#   ) 6.0 4.2 0.0
assign (resid 3   and name HE2   ) (resid 3   and name HD#   ) 4.5 2.7 0.5
assign (resid 3   and name HE1   ) (resid 3   and name HD#   ) 4.5 2.7 0.5
assign (resid 3   and name HA    ) (resid 3   and name HB2   ) 4.5 2.7 0.5
assign (resid 3   and name HA    ) (resid 3   and name HB1   ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 4   and name HB2   ) 2.8 1.0 0.0
assign (resid 4   and name HN    ) (resid 4   and name HB1   ) 2.8 1.0 0.0
assign (resid 4   and name HN    ) (resid 4   and name HG#   ) 4.5 2.7 0.5
assign (resid 4   and name HE#   ) (resid 4   and name HG#   ) 4.5 2.7 0.5
assign (resid 5   and name HN    ) (resid 5   and name HA    ) 3.4 1.6 0.1
assign (resid 5   and name HA    ) (resid 5   and name HB#   ) 2.8 1.0 0.0
assign (resid 6   and name HN    ) (resid 6   and name HA    ) 3.4 1.6 0.1
assign (resid 6   and name HN    ) (resid 6   and name HB    ) 2.8 1.0 0.0
assign (resid 6   and name HN    ) (resid 6   and name HG1#  ) 3.4 1.6 0.1
assign (resid 6   and name HN    ) (resid 6   and name HG2#  ) 2.8 1.0 0.0
assign (resid 6   and name HA    ) (resid 6   and name HG2#  ) 2.8 1.0 0.0
assign (resid 7   and name HN    ) (resid 7   and name HA    ) 3.4 1.6 0.1
assign (resid 7   and name HN    ) (resid 7   and name HG1#  ) 3.4 1.6 0.1
assign (resid 7   and name HN    ) (resid 7   and name HD1#  ) 4.5 2.7 0.5
assign (resid 7   and name HA    ) (resid 7   and name HG12  ) 4.5 2.7 0.5
assign (resid 7   and name HA    ) (resid 7   and name HG11  ) 4.5 2.7 0.5
assign (resid 7   and name HA    ) (resid 7   and name HG2#  ) 2.8 1.0 0.0
assign (resid 7   and name HN    ) (resid 7   and name HG2#  ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 8   and name HA    ) 3.4 1.6 0.1
assign (resid 8   and name HN    ) (resid 8   and name HB1   ) 3.4 1.6 0.1
assign (resid 8   and name HN    ) (resid 8   and name HB2   ) 3.4 1.6 0.1
assign (resid 8   and name HA    ) (resid 8   and name HB1   ) 3.4 1.6 0.1
assign (resid 8   and name HA    ) (resid 8   and name HB2   ) 3.4 1.6 0.1
assign (resid 9   and name HN    ) (resid 9   and name HB#   ) 3.4 1.6 0.1
assign (resid 9   and name HE1   ) (resid 9   and name HD2   ) 4.5 2.7 0.5
assign (resid 9   and name HE1   ) (resid 9   and name HB2   ) 6.0 4.2 0.0
assign (resid 9   and name HN    ) (resid 9   and name HD2   ) 6.0 4.2 0.0
assign (resid 9   and name HD2   ) (resid 9   and name HB2   ) 4.5 2.7 0.5
assign (resid 9   and name HA    ) (resid 9   and name HB#   ) 3.4 1.6 0.1
assign (resid 9   and name HN    ) (resid 9   and name HA    ) 3.4 1.6 0.1
assign (resid 9   and name HE1   ) (resid 9   and name HB1   ) 6.0 4.2 0.0
assign (resid 9   and name HA    ) (resid 9   and name HD2   ) 4.5 2.7 0.5
assign (resid 9   and name HD2   ) (resid 9   and name HB1   ) 4.5 2.7 0.5
assign (resid 10  and name HN    ) (resid 10  and name HA    ) 3.4 1.6 0.1
assign (resid 10  and name HE#   ) (resid 10  and name HA    ) 4.5 2.7 0.5
assign (resid 10  and name HN    ) (resid 10  and name HB2   ) 3.4 1.6 0.1
assign (resid 10  and name HD#   ) (resid 10  and name HA    ) 2.8 1.0 0.0
assign (resid 10  and name HD#   ) (resid 10  and name HB2   ) 2.8 1.0 0.0
assign (resid 10  and name HD#   ) (resid 10  and name HB1   ) 2.8 1.0 0.0
assign (resid 10  and name HE#   ) (resid 10  and name HB1   ) 6.0 4.2 0.0
assign (resid 10  and name HN    ) (resid 10  and name HD#   ) 2.8 1.0 0.0
assign (resid 10  and name HA    ) (resid 10  and name HB2   ) 3.4 1.6 0.1
assign (resid 10  and name HA    ) (resid 10  and name HB1   ) 3.4 1.6 0.1
assign (resid 10  and name HD#   ) (resid 10  and name HZ    ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 11  and name HA1   ) 3.4 1.6 0.1
assign (resid 11  and name HN    ) (resid 11  and name HA2   ) 3.4 1.6 0.1
assign (resid 12  and name HN    ) (resid 12  and name HA    ) 3.4 1.6 0.1
assign (resid 12  and name HN    ) (resid 12  and name HB    ) 4.5 2.7 0.5
assign (resid 12  and name HA    ) (resid 12  and name HB    ) 2.8 1.0 0.0
assign (resid 13  and name HN    ) (resid 13  and name HA    ) 3.4 1.6 0.1
assign (resid 13  and name HN    ) (resid 13  and name HG#   ) 3.4 1.6 0.1
assign (resid 13  and name HE2#  ) (resid 13  and name HA    ) 6.0 4.2 0.0
assign (resid 13  and name HA    ) (resid 13  and name HG#   ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 13  and name HB#   ) 3.4 1.6 0.1
assign (resid 13  and name HE2#  ) (resid 13  and name HB#   ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 14  and name HD#   ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 14  and name HA    ) 3.4 1.6 0.1
assign (resid 14  and name HN    ) (resid 14  and name HB2   ) 3.4 1.6 0.1
assign (resid 14  and name HE    ) (resid 14  and name HD#   ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 14  and name HB1   ) 3.4 1.6 0.1
assign (resid 16  and name HN    ) (resid 16  and name HA    ) 3.4 1.6 0.1
assign (resid 16  and name HN    ) (resid 16  and name HG2#  ) 2.8 1.0 0.0
assign (resid 16  and name HN    ) (resid 16  and name HG1#  ) 3.4 1.6 0.1
assign (resid 16  and name HA    ) (resid 16  and name HG1#  ) 2.8 1.0 0.0
assign (resid 17  and name HN    ) (resid 17  and name HA    ) 3.4 1.6 0.1
assign (resid 17  and name HA    ) (resid 17  and name HB#   ) 2.8 1.0 0.0
assign (resid 18  and name HN    ) (resid 18  and name HB#   ) 2.8 1.0 0.0
assign (resid 18  and name HN    ) (resid 18  and name HG2   ) 4.5 2.7 0.5
assign (resid 18  and name HN    ) (resid 18  and name HG1   ) 4.5 2.7 0.5
assign (resid 18  and name HN    ) (resid 18  and name HD#   ) 6.0 4.2 0.0
assign (resid 19  and name HN    ) (resid 19  and name HB#   ) 2.8 1.0 0.0
assign (resid 20  and name HN    ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 20  and name HN    ) (resid 20  and name HD2#  ) 4.5 2.7 0.5
assign (resid 20  and name HN    ) (resid 20  and name HA    ) 3.4 1.6 0.1
assign (resid 20  and name HA    ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 22  and name HN    ) (resid 22  and name HG2#  ) 3.4 1.6 0.1
assign (resid 22  and name HN    ) (resid 22  and name HA    ) 4.5 2.7 0.5
assign (resid 22  and name HG1#  ) (resid 22  and name HD1#  ) 2.8 1.0 0.0
assign (resid 23  and name HN    ) (resid 23  and name HB#   ) 3.4 1.6 0.1
assign (resid 23  and name HN    ) (resid 23  and name HA    ) 3.4 1.6 0.1
assign (resid 23  and name HA    ) (resid 23  and name HB#   ) 2.8 1.0 0.0
assign (resid 24  and name HN    ) (resid 24  and name HB#   ) 2.8 1.0 0.0
assign (resid 25  and name HN    ) (resid 25  and name HB#   ) 2.8 1.0 0.0
assign (resid 26  and name HN    ) (resid 26  and name HB#   ) 2.8 1.0 0.0
assign (resid 26  and name HN    ) (resid 26  and name HA    ) 3.4 1.6 0.1
assign (resid 27  and name HN    ) (resid 27  and name HB    ) 2.8 1.0 0.0
assign (resid 27  and name HN    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 27  and name HN    ) (resid 27  and name HG2#  ) 2.8 1.0 0.0
assign (resid 27  and name HN    ) (resid 27  and name HA    ) 3.4 1.6 0.1
assign (resid 27  and name HB    ) (resid 27  and name HG1#  ) 2.8 1.0 0.0
assign (resid 27  and name HG1#  ) (resid 27  and name HG2#  ) 2.8 1.0 0.0
assign (resid 29  and name HE2#  ) (resid 29  and name HG2   ) 4.5 2.7 0.5
assign (resid 29  and name HE2#  ) (resid 29  and name HG1   ) 4.5 2.7 0.5
assign (resid 29  and name HN    ) (resid 29  and name HG2   ) 4.5 2.7 0.5
assign (resid 29  and name HN    ) (resid 29  and name HB#   ) 3.4 1.6 0.1
assign (resid 29  and name HE2#  ) (resid 29  and name HG#   ) 6.0 4.2 0.0
assign (resid 29  and name HN    ) (resid 29  and name HA    ) 3.4 1.6 0.1
assign (resid 29  and name HN    ) (resid 29  and name HG1   ) 4.5 2.7 0.5
assign (resid 29  and name HA    ) (resid 29  and name HG2   ) 3.4 1.6 0.1
assign (resid 29  and name HA    ) (resid 29  and name HG1   ) 3.4 1.6 0.1
assign (resid 29  and name HA    ) (resid 29  and name HB2   ) 3.4 1.6 0.1
assign (resid 29  and name HA    ) (resid 29  and name HB1   ) 3.4 1.6 0.1
assign (resid 29  and name HG#   ) (resid 29  and name HB#   ) 3.4 1.6 0.1
assign (resid 29  and name HE2#  ) (resid 29  and name HB#   ) 6.0 4.2 0.0
assign (resid 29  and name HE2#  ) (resid 29  and name HA    ) 6.0 4.2 0.0
assign (resid 30  and name HN    ) (resid 30  and name HB#   ) 3.4 1.6 0.1
assign (resid 30  and name HE3   ) (resid 30  and name HB2   ) 3.4 1.6 0.1
assign (resid 30  and name HE3   ) (resid 30  and name HB1   ) 3.4 1.6 0.1
assign (resid 30  and name HD1   ) (resid 30  and name HB2   ) 4.5 2.7 0.5
assign (resid 30  and name HD1   ) (resid 30  and name HB1   ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 30  and name HN    ) 6.0 4.2 0.0
assign (resid 30  and name HN    ) (resid 30  and name HD1   ) 3.4 1.6 0.1
assign (resid 30  and name HE1   ) (resid 30  and name HZ2   ) 3.4 1.6 0.1
assign (resid 31  and name HN    ) (resid 31  and name HA    ) 3.4 1.6 0.1
assign (resid 31  and name HN    ) (resid 31  and name HB#   ) 4.5 2.7 0.5
assign (resid 31  and name HN    ) (resid 31  and name HD#   ) 4.5 2.7 0.5
assign (resid 31  and name HN    ) (resid 31  and name HG#   ) 3.4 1.6 0.1
assign (resid 31  and name HE#   ) (resid 31  and name HD#   ) 3.4 1.6 0.1
assign (resid 31  and name HA    ) (resid 31  and name HB#   ) 3.4 1.6 0.1
assign (resid 31  and name HB#   ) (resid 31  and name HG#   ) 3.4 1.6 0.1
assign (resid 32  and name HN    ) (resid 32  and name HB#   ) 2.8 1.0 0.0
assign (resid 32  and name HN    ) (resid 32  and name HG#   ) 3.4 1.6 0.1
assign (resid 32  and name HA    ) (resid 32  and name HB#   ) 2.8 1.0 0.0
assign (resid 32  and name HG#   ) (resid 32  and name HB#   ) 2.8 1.0 0.0
assign (resid 33  and name HN    ) (resid 33  and name HG1#  ) 4.5 2.7 0.5
assign (resid 34  and name HN    ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 34  and name HA    ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 35  and name HA    ) (resid 35  and name HD1   ) 6.0 4.2 0.0
assign (resid 35  and name HD#   ) (resid 35  and name HG#   ) 3.4 1.6 0.1
assign (resid 35  and name HA    ) (resid 35  and name HD2   ) 6.0 4.2 0.0
assign (resid 36  and name HN    ) (resid 36  and name HA    ) 3.4 1.6 0.1
assign (resid 36  and name HN    ) (resid 36  and name HB1   ) 3.4 1.6 0.1
assign (resid 36  and name HN    ) (resid 36  and name HB2   ) 3.4 1.6 0.1
assign (resid 37  and name HN    ) (resid 37  and name HG#   ) 3.4 1.6 0.1
assign (resid 38  and name HN    ) (resid 38  and name HA    ) 3.4 1.6 0.1
assign (resid 38  and name HN    ) (resid 38  and name HB#   ) 3.4 1.6 0.1
assign (resid 40  and name HD#   ) (resid 40  and name HB#   ) 3.4 1.6 0.1
assign (resid 40  and name HE#   ) (resid 40  and name HB#   ) 4.5 2.7 0.5
assign (resid 40  and name HD#   ) (resid 40  and name HA    ) 3.4 1.6 0.1
assign (resid 40  and name HN    ) (resid 40  and name HA    ) 3.4 1.6 0.1
assign (resid 40  and name HN    ) (resid 40  and name HB2   ) 3.4 1.6 0.1
assign (resid 40  and name HN    ) (resid 40  and name HB1   ) 3.4 1.6 0.1
assign (resid 40  and name HN    ) (resid 40  and name HD#   ) 4.5 2.7 0.5
assign (resid 40  and name HA    ) (resid 40  and name HB#   ) 3.4 1.6 0.1
assign (resid 40  and name HB1   ) (resid 40  and name HB2   ) 2.8 1.0 0.0
assign (resid 40  and name HE#   ) (resid 40  and name HA    ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 42  and name HD2#  ) 4.5 2.7 0.5
assign (resid 44  and name HN    ) (resid 44  and name HG12  ) 3.4 1.6 0.1
assign (resid 44  and name HA    ) (resid 44  and name HD1#  ) 3.4 1.6 0.1
assign (resid 44  and name HA    ) (resid 44  and name HG12  ) 3.4 1.6 0.1
assign (resid 44  and name HA    ) (resid 44  and name HG11  ) 3.4 1.6 0.1
assign (resid 44  and name HA    ) (resid 44  and name HG2#  ) 2.8 1.0 0.0
assign (resid 44  and name HG1#  ) (resid 44  and name HG2#  ) 2.8 1.0 0.0
assign (resid 44  and name HG11  ) (resid 44  and name HD1#  ) 2.8 1.0 0.0
assign (resid 44  and name HG12  ) (resid 44  and name HD1#  ) 2.8 1.0 0.0
assign (resid 44  and name HN    ) (resid 44  and name HG11  ) 3.4 1.6 0.1
assign (resid 45  and name HN    ) (resid 45  and name HA    ) 2.8 1.0 0.0
assign (resid 45  and name HA    ) (resid 45  and name HB    ) 2.8 1.0 0.0
assign (resid 46  and name HN    ) (resid 46  and name HB    ) 3.4 1.6 0.1
assign (resid 46  and name HA    ) (resid 46  and name HB    ) 3.4 1.6 0.1
assign (resid 47  and name HN    ) (resid 47  and name HA    ) 2.8 1.0 0.0
assign (resid 47  and name HN    ) (resid 47  and name HB#   ) 3.4 1.6 0.1
assign (resid 48  and name HN    ) (resid 48  and name HA#   ) 2.8 1.0 0.0
assign (resid 49  and name HN    ) (resid 49  and name HA    ) 3.4 1.6 0.1
assign (resid 49  and name HA    ) (resid 49  and name HB#   ) 2.8 1.0 0.0
assign (resid 51  and name HN    ) (resid 51  and name HA    ) 4.5 2.7 0.5
assign (resid 51  and name HN    ) (resid 51  and name HB#   ) 3.4 1.6 0.1
assign (resid 51  and name HA    ) (resid 51  and name HE#   ) 6.0 4.2 0.0
assign (resid 52  and name HN    ) (resid 52  and name HA    ) 3.4 1.6 0.1
assign (resid 52  and name HN    ) (resid 52  and name HB1   ) 3.4 1.6 0.1
assign (resid 52  and name HN    ) (resid 52  and name HB2   ) 3.4 1.6 0.1
assign (resid 52  and name HA    ) (resid 52  and name HB#   ) 3.4 1.6 0.1
assign (resid 53  and name HN    ) (resid 53  and name HA    ) 4.5 2.7 0.5
assign (resid 53  and name HE2#  ) (resid 53  and name HG#   ) 3.4 1.6 0.1
assign (resid 53  and name HE2#  ) (resid 53  and name HB#   ) 6.0 4.2 0.0
assign (resid 53  and name HA    ) (resid 53  and name HG#   ) 3.4 1.6 0.1
assign (resid 54  and name HN    ) (resid 54  and name HG#   ) 3.4 1.6 0.1
assign (resid 54  and name HN    ) (resid 54  and name HB#   ) 3.4 1.6 0.1
assign (resid 54  and name HN    ) (resid 54  and name HA    ) 3.4 1.6 0.1
assign (resid 55  and name HN    ) (resid 55  and name HA    ) 3.4 1.6 0.1
assign (resid 55  and name HD2#  ) (resid 55  and name HB#   ) 3.4 1.6 0.1
assign (resid 55  and name HN    ) (resid 55  and name HD2#  ) 4.5 2.7 0.5
assign (resid 55  and name HD2#  ) (resid 55  and name HA    ) 4.5 2.7 0.5
assign (resid 57  and name HD#   ) (resid 57  and name HB2   ) 2.8 1.0 0.0
assign (resid 57  and name HD#   ) (resid 57  and name HB1   ) 2.8 1.0 0.0
assign (resid 57  and name HN    ) (resid 57  and name HB1   ) 4.5 2.7 0.5
assign (resid 57  and name HE#   ) (resid 57  and name HB1   ) 4.5 2.7 0.5
assign (resid 57  and name HN    ) (resid 57  and name HD#   ) 3.4 1.6 0.1
assign (resid 57  and name HA    ) (resid 57  and name HD#   ) 2.8 1.0 0.0
assign (resid 59  and name HE2#  ) (resid 59  and name HG#   ) 4.5 2.7 0.5
assign (resid 61  and name HN    ) (resid 61  and name HA    ) 4.5 2.7 0.5

{*interresidue nOe distance restraints*}
assign (resid 2   and name HN    ) (resid 1   and name HA    ) 3.4 1.6 0.1
assign (resid 2   and name HN    ) (resid 1   and name HG#   ) 4.5 2.7 0.5
assign (resid 2   and name HD#   ) (resid 1   and name HA    ) 4.5 2.7 0.5
assign (resid 1   and name HG#   ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 1   and name HG#   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 1   and name HE#   ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 1   and name HG#   ) (resid 39  and name HB#   ) 4.5 2.7 0.5
assign (resid 40  and name HA    ) (resid 1   and name HE#   ) 4.5 2.7 0.5
assign (resid 1   and name HE#   ) (resid 52  and name HA    ) 3.4 1.6 0.1
assign (resid 52  and name HN    ) (resid 1   and name HE#   ) 4.5 2.7 0.5
assign (resid 3   and name HN    ) (resid 2   and name HA    ) 2.8 1.0 0.0
assign (resid 3   and name HN    ) (resid 2   and name HB2   ) 4.5 2.7 0.5
assign (resid 3   and name HN    ) (resid 2   and name HB1   ) 4.5 2.7 0.5
assign (resid 3   and name HN    ) (resid 2   and name HD#   ) 4.5 2.7 0.5
assign (resid 2   and name HA    ) (resid 3   and name HB#   ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 2   and name HA    ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 2   and name HB1   ) 3.4 1.6 0.1
assign (resid 4   and name HN    ) (resid 2   and name HB2   ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 2   and name HD#   ) 4.5 2.7 0.5
assign (resid 5   and name HN    ) (resid 2   and name HA    ) 6.0 4.2 0.0
assign (resid 5   and name HN    ) (resid 2   and name HB1   ) 3.4 1.6 0.1
assign (resid 2   and name HN    ) (resid 6   and name HG2#  ) 6.0 4.2 0.0
assign (resid 2   and name HB1   ) (resid 32  and name HG#   ) 6.0 4.2 0.0
assign (resid 2   and name HD#   ) (resid 32  and name HG#   ) 3.4 1.6 0.1
assign (resid 2   and name HD#   ) (resid 32  and name HB#   ) 4.5 2.7 0.5
assign (resid 2   and name HE#   ) (resid 32  and name HG#   ) 4.5 2.7 0.5
assign (resid 2   and name HE#   ) (resid 32  and name HB#   ) 4.5 2.7 0.5
assign (resid 2   and name HD#   ) (resid 33  and name HG1#  ) 4.5 2.7 0.5
assign (resid 2   and name HE#   ) (resid 33  and name HG2#  ) 2.8 1.0 0.0
assign (resid 2   and name HE#   ) (resid 33  and name HG1#  ) 4.5 2.7 0.5
assign (resid 2   and name HA    ) (resid 33  and name HG2#  ) 4.5 2.7 0.5
assign (resid 2   and name HA    ) (resid 33  and name HA    ) 3.4 1.6 0.1
assign (resid 2   and name HE#   ) (resid 33  and name HA    ) 4.5 2.7 0.5
assign (resid 34  and name HN    ) (resid 2   and name HA    ) 4.5 2.7 0.5
assign (resid 2   and name HE#   ) (resid 56  and name HB#   ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 3   and name HA    ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 3   and name HB1   ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 3   and name HB2   ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 3   and name HN    ) 3.4 1.6 0.1
assign (resid 5   and name HN    ) (resid 3   and name HA    ) 4.5 2.7 0.5
assign (resid 6   and name HN    ) (resid 3   and name HA    ) 4.5 2.7 0.5
assign (resid 3   and name HA    ) (resid 6   and name HG2#  ) 3.4 1.6 0.1
assign (resid 3   and name HA    ) (resid 6   and name HB    ) 3.4 1.6 0.1
assign (resid 7   and name HN    ) (resid 3   and name HA    ) 4.5 2.7 0.5
assign (resid 3   and name HG#   ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 3   and name HE2   ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 3   and name HE1   ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 3   and name HE#   ) (resid 7   and name HD1#  ) 4.5 2.7 0.5
assign (resid 30  and name HN    ) (resid 3   and name HE#   ) 4.5 2.7 0.5
assign (resid 30  and name HE3   ) (resid 3   and name HA    ) 4.5 2.7 0.5
assign (resid 30  and name HE3   ) (resid 3   and name HE#   ) 4.5 2.7 0.5
assign (resid 30  and name HB1   ) (resid 3   and name HD#   ) 4.5 2.7 0.5
assign (resid 30  and name HB2   ) (resid 3   and name HD#   ) 4.5 2.7 0.5
assign (resid 30  and name HB#   ) (resid 3   and name HG#   ) 4.5 2.7 0.5
assign (resid 30  and name HB1   ) (resid 3   and name HE#   ) 4.5 2.7 0.5
assign (resid 30  and name HB2   ) (resid 3   and name HE#   ) 4.5 2.7 0.5
assign (resid 3   and name HN    ) (resid 32  and name HA    ) 4.5 2.7 0.5
assign (resid 3   and name HN    ) (resid 32  and name HB#   ) 6.0 4.2 0.0
assign (resid 3   and name HN    ) (resid 32  and name HG#   ) 6.0 4.2 0.0
assign (resid 3   and name HN    ) (resid 33  and name HA    ) 4.5 2.7 0.5
assign (resid 3   and name HN    ) (resid 33  and name HG2#  ) 4.5 2.7 0.5
assign (resid 3   and name HN    ) (resid 34  and name HG2#  ) 3.4 1.6 0.1
assign (resid 34  and name HN    ) (resid 3   and name HA    ) 6.0 4.2 0.0
assign (resid 3   and name HA    ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 3   and name HA    ) (resid 34  and name HG2#  ) 2.8 1.0 0.0
assign (resid 3   and name HN    ) (resid 34  and name HN    ) 6.0 4.2 0.0
assign (resid 3   and name HB#   ) (resid 34  and name HG2#  ) 3.4 1.6 0.1
assign (resid 3   and name HA    ) (resid 42  and name HD1#  ) 4.5 2.7 0.5
assign (resid 5   and name HN    ) (resid 4   and name HG#   ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 5   and name HN    ) 3.4 1.6 0.1
assign (resid 4   and name HN    ) (resid 6   and name HN    ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 7   and name HD1#  ) 6.0 4.2 0.0
assign (resid 7   and name HN    ) (resid 4   and name HA    ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 4   and name HA    ) 4.5 2.7 0.5
assign (resid 4   and name HN    ) (resid 32  and name HG#   ) 6.0 4.2 0.0
assign (resid 4   and name HN    ) (resid 34  and name HG2#  ) 6.0 4.2 0.0
assign (resid 6   and name HN    ) (resid 5   and name HA    ) 4.5 2.7 0.5
assign (resid 5   and name HN    ) (resid 6   and name HG2#  ) 4.5 2.7 0.5
assign (resid 6   and name HN    ) (resid 5   and name HB1   ) 4.5 2.7 0.5
assign (resid 6   and name HN    ) (resid 5   and name HB2   ) 4.5 2.7 0.5
assign (resid 5   and name HB#   ) (resid 6   and name HG2#  ) 4.5 2.7 0.5
assign (resid 6   and name HN    ) (resid 5   and name HN    ) 2.8 1.0 0.0
assign (resid 6   and name HA    ) (resid 5   and name HB#   ) 6.0 4.2 0.0
assign (resid 7   and name HN    ) (resid 5   and name HN    ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 5   and name HA    ) 3.4 1.6 0.1
assign (resid 8   and name HN    ) (resid 5   and name HN    ) 4.5 2.7 0.5
assign (resid 5   and name HA    ) (resid 8   and name HB1   ) 3.4 1.6 0.1
assign (resid 5   and name HA    ) (resid 8   and name HB2   ) 3.4 1.6 0.1
assign (resid 9   and name HN    ) (resid 5   and name HA    ) 4.5 2.7 0.5
assign (resid 5   and name HB1   ) (resid 50  and name HD2#  ) 4.5 2.7 0.5
assign (resid 7   and name HN    ) (resid 6   and name HB    ) 3.4 1.6 0.1
assign (resid 7   and name HN    ) (resid 6   and name HG2#  ) 4.5 2.7 0.5
assign (resid 6   and name HN    ) (resid 7   and name HA    ) 6.0 4.2 0.0
assign (resid 7   and name HN    ) (resid 6   and name HA    ) 4.5 2.7 0.5
assign (resid 6   and name HN    ) (resid 7   and name HB    ) 4.5 2.7 0.5
assign (resid 7   and name HA    ) (resid 6   and name HG2#  ) 6.0 4.2 0.0
assign (resid 7   and name HN    ) (resid 6   and name HN    ) 3.4 1.6 0.1
assign (resid 7   and name HA    ) (resid 6   and name HB    ) 6.0 4.2 0.0
assign (resid 7   and name HA    ) (resid 6   and name HG1#  ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 6   and name HB    ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 6   and name HA    ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 6   and name HN    ) 4.5 2.7 0.5
assign (resid 9   and name HN    ) (resid 6   and name HA    ) 3.4 1.6 0.1
assign (resid 9   and name HN    ) (resid 6   and name HB    ) 6.0 4.2 0.0
assign (resid 6   and name HA    ) (resid 9   and name HB1   ) 4.5 2.7 0.5
assign (resid 6   and name HA    ) (resid 9   and name HB2   ) 4.5 2.7 0.5
assign (resid 10  and name HD#   ) (resid 6   and name HA    ) 3.4 1.6 0.1
assign (resid 10  and name HD#   ) (resid 6   and name HB    ) 6.0 4.2 0.0
assign (resid 10  and name HB2   ) (resid 6   and name HG1#  ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 6   and name HG1#  ) 6.0 4.2 0.0
assign (resid 6   and name HG1#  ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 6   and name HN    ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 6   and name HB    ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 6   and name HG1#  ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 6   and name HG2#  ) (resid 34  and name HG2#  ) 3.4 1.6 0.1
assign (resid 6   and name HG1#  ) (resid 34  and name HD1#  ) 3.4 1.6 0.1
assign (resid 6   and name HG2#  ) (resid 34  and name HD1#  ) 2.8 1.0 0.0
assign (resid 6   and name HG1#  ) (resid 42  and name HN    ) 6.0 4.2 0.0
assign (resid 6   and name HA    ) (resid 50  and name HD1#  ) 2.8 1.0 0.0
assign (resid 8   and name HN    ) (resid 7   and name HA    ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 7   and name HB    ) 3.4 1.6 0.1
assign (resid 8   and name HN    ) (resid 7   and name HG2#  ) 3.4 1.6 0.1
assign (resid 7   and name HN    ) (resid 8   and name HB#   ) 6.0 4.2 0.0
assign (resid 8   and name HN    ) (resid 7   and name HG1#  ) 6.0 4.2 0.0
assign (resid 7   and name HN    ) (resid 8   and name HN    ) 3.4 1.6 0.1
assign (resid 8   and name HA    ) (resid 7   and name HG2#  ) 3.4 1.6 0.1
assign (resid 8   and name HA    ) (resid 7   and name HA    ) 6.0 4.2 0.0
assign (resid 9   and name HN    ) (resid 7   and name HA    ) 4.5 2.7 0.5
assign (resid 7   and name HN    ) (resid 9   and name HN    ) 4.5 2.7 0.5
assign (resid 9   and name HN    ) (resid 7   and name HB    ) 6.0 4.2 0.0
assign (resid 10  and name HN    ) (resid 7   and name HA    ) 4.5 2.7 0.5
assign (resid 10  and name HD#   ) (resid 7   and name HA    ) 4.5 2.7 0.5
assign (resid 10  and name HE#   ) (resid 7   and name HA    ) 6.0 4.2 0.0
assign (resid 7   and name HN    ) (resid 10  and name HD#   ) 6.0 4.2 0.0
assign (resid 7   and name HA    ) (resid 10  and name HB2   ) 4.5 2.7 0.5
assign (resid 7   and name HA    ) (resid 10  and name HB1   ) 4.5 2.7 0.5
assign (resid 10  and name HA    ) (resid 7   and name HA    ) 6.0 4.2 0.0
assign (resid 11  and name HN    ) (resid 7   and name HA    ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 7   and name HG2#  ) 4.5 2.7 0.5
assign (resid 12  and name HN    ) (resid 7   and name HG2#  ) 4.5 2.7 0.5
assign (resid 12  and name HN    ) (resid 7   and name HA    ) 6.0 4.2 0.0
assign (resid 13  and name HE21  ) (resid 7   and name HD1#  ) 6.0 4.2 0.0
assign (resid 13  and name HE22  ) (resid 7   and name HD1#  ) 6.0 4.2 0.0
assign (resid 13  and name HG#   ) (resid 7   and name HD1#  ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 7   and name HA    ) 4.5 2.7 0.5
assign (resid 7   and name HA    ) (resid 16  and name HG2#  ) 3.4 1.6 0.1
assign (resid 7   and name HD1#  ) (resid 27  and name HG1#  ) 3.4 1.6 0.1
assign (resid 8   and name HN    ) (resid 9   and name HA    ) 4.5 2.7 0.5
assign (resid 8   and name HN    ) (resid 9   and name HB2   ) 6.0 4.2 0.0
assign (resid 8   and name HN    ) (resid 9   and name HB1   ) 6.0 4.2 0.0
assign (resid 9   and name HN    ) (resid 8   and name HB1   ) 3.4 1.6 0.1
assign (resid 9   and name HN    ) (resid 8   and name HB2   ) 3.4 1.6 0.1
assign (resid 8   and name HN    ) (resid 9   and name HN    ) 3.4 1.6 0.1
assign (resid 8   and name HA    ) (resid 9   and name HB#   ) 6.0 4.2 0.0
assign (resid 8   and name HN    ) (resid 10  and name HN    ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 8   and name HA    ) 4.5 2.7 0.5
assign (resid 8   and name HA    ) (resid 11  and name HA#   ) 6.0 4.2 0.0
assign (resid 10  and name HN    ) (resid 9   and name HD2   ) 4.5 2.7 0.5
assign (resid 10  and name HD#   ) (resid 9   and name HD2   ) 3.4 1.6 0.1
assign (resid 10  and name HD#   ) (resid 9   and name HB#   ) 4.5 2.7 0.5
assign (resid 10  and name HE#   ) (resid 9   and name HD2   ) 3.4 1.6 0.1
assign (resid 10  and name HZ    ) (resid 9   and name HD2   ) 4.5 2.7 0.5
assign (resid 10  and name HA    ) (resid 9   and name HB#   ) 6.0 4.2 0.0
assign (resid 10  and name HN    ) (resid 9   and name HN    ) 3.4 1.6 0.1
assign (resid 10  and name HD#   ) (resid 9   and name HA    ) 6.0 4.2 0.0
assign (resid 9   and name HN    ) (resid 10  and name HA    ) 4.5 2.7 0.5
assign (resid 10  and name HA    ) (resid 9   and name HD2   ) 6.0 4.2 0.0
assign (resid 11  and name HN    ) (resid 9   and name HA    ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 9   and name HN    ) 4.5 2.7 0.5
assign (resid 9   and name HE1   ) (resid 46  and name HA    ) 4.5 2.7 0.5
assign (resid 9   and name HE1   ) (resid 47  and name HB#   ) 4.5 2.7 0.5
assign (resid 46  and name HG2#  ) (resid 9   and name HD2   ) 3.4 1.6 0.1
assign (resid 11  and name HN    ) (resid 10  and name HB2   ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 10  and name HB1   ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 10  and name HA    ) 4.5 2.7 0.5
assign (resid 10  and name HN    ) (resid 11  and name HA#   ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 10  and name HD#   ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 10  and name HN    ) 2.8 1.0 0.0
assign (resid 10  and name HA    ) (resid 11  and name HA#   ) 6.0 4.2 0.0
assign (resid 12  and name HN    ) (resid 10  and name HB1   ) 4.5 2.7 0.5
assign (resid 12  and name HN    ) (resid 10  and name HB2   ) 4.5 2.7 0.5
assign (resid 10  and name HD#   ) (resid 12  and name HN    ) 4.5 2.7 0.5
assign (resid 15  and name HN    ) (resid 10  and name HB1   ) 6.0 4.2 0.0
assign (resid 10  and name HA    ) (resid 15  and name HB#   ) 4.5 2.7 0.5
assign (resid 10  and name HB2   ) (resid 15  and name HB#   ) 3.4 1.6 0.1
assign (resid 16  and name HN    ) (resid 10  and name HB1   ) 4.5 2.7 0.5
assign (resid 16  and name HN    ) (resid 10  and name HB2   ) 4.5 2.7 0.5
assign (resid 10  and name HZ    ) (resid 16  and name HA    ) 6.0 4.2 0.0
assign (resid 10  and name HZ    ) (resid 16  and name HG1#  ) 6.0 4.2 0.0
assign (resid 10  and name HB1   ) (resid 16  and name HA    ) 4.5 2.7 0.5
assign (resid 10  and name HD#   ) (resid 16  and name HA    ) 3.4 1.6 0.1
assign (resid 10  and name HA    ) (resid 16  and name HG2#  ) 4.5 2.7 0.5
assign (resid 10  and name HA    ) (resid 16  and name HG1#  ) 6.0 4.2 0.0
assign (resid 10  and name HB2   ) (resid 16  and name HG2#  ) 3.4 1.6 0.1
assign (resid 10  and name HD#   ) (resid 16  and name HN    ) 3.4 1.6 0.1
assign (resid 19  and name HA    ) (resid 10  and name HZ    ) 6.0 4.2 0.0
assign (resid 10  and name HZ    ) (resid 19  and name HB#   ) 3.4 1.6 0.1
assign (resid 10  and name HZ    ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 42  and name HA    ) (resid 10  and name HZ    ) 4.5 2.7 0.5
assign (resid 10  and name HZ    ) (resid 45  and name HB    ) 4.5 2.7 0.5
assign (resid 10  and name HZ    ) (resid 45  and name HA    ) 6.0 4.2 0.0
assign (resid 10  and name HE#   ) (resid 46  and name HA    ) 6.0 4.2 0.0
assign (resid 10  and name HZ    ) (resid 46  and name HG2#  ) 2.8 1.0 0.0
assign (resid 10  and name HZ    ) (resid 46  and name HA    ) 4.5 2.7 0.5
assign (resid 12  and name HN    ) (resid 11  and name HA1   ) 4.5 2.7 0.5
assign (resid 12  and name HN    ) (resid 11  and name HA2   ) 4.5 2.7 0.5
assign (resid 11  and name HA#   ) (resid 12  and name HG2#  ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 12  and name HN    ) 3.4 2.6 0.0
assign (resid 11  and name HN    ) (resid 15  and name HB#   ) 4.5 2.7 0.5
assign (resid 11  and name HN    ) (resid 16  and name HG2#  ) 6.0 4.2 0.0
assign (resid 13  and name HN    ) (resid 12  and name HA    ) 2.8 1.0 0.0
assign (resid 13  and name HN    ) (resid 12  and name HB    ) 3.4 1.6 0.1
assign (resid 13  and name HN    ) (resid 12  and name HG2#  ) 4.5 2.7 0.5
assign (resid 13  and name HN    ) (resid 12  and name HN    ) 4.5 2.7 0.5
assign (resid 14  and name HN    ) (resid 12  and name HA    ) 4.5 2.7 0.5
assign (resid 14  and name HN    ) (resid 12  and name HB    ) 3.4 1.6 0.1
assign (resid 12  and name HB    ) (resid 14  and name HB#   ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 13  and name HA    ) 4.5 2.7 0.5
assign (resid 14  and name HN    ) (resid 13  and name HG#   ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 13  and name HB#   ) 4.5 2.7 0.5
assign (resid 13  and name HN    ) (resid 14  and name HN    ) 3.4 1.6 0.1
assign (resid 15  and name HN    ) (resid 13  and name HA    ) 4.5 2.7 0.5
assign (resid 16  and name HN    ) (resid 13  and name HA    ) 3.4 1.6 0.1
assign (resid 13  and name HA    ) (resid 16  and name HG1#  ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 16  and name HG2#  ) 3.4 1.6 0.1
assign (resid 13  and name HA    ) (resid 16  and name HA    ) 6.0 4.2 0.0
assign (resid 17  and name HN    ) (resid 13  and name HA    ) 4.5 2.7 0.5
assign (resid 13  and name HN    ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 13  and name HE21  ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 13  and name HE22  ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 27  and name HG1#  ) 3.4 1.6 0.1
assign (resid 13  and name HA    ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 27  and name HB    ) 6.0 4.2 0.0
assign (resid 13  and name HG#   ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 13  and name HB1   ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 13  and name HE2#  ) (resid 27  and name HG2#  ) 6.0 4.2 0.0
assign (resid 13  and name HE22  ) (resid 28  and name HA    ) 4.5 2.7 0.5
assign (resid 14  and name HN    ) (resid 15  and name HA    ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 16  and name HN    ) 6.0 4.2 0.0
assign (resid 16  and name HN    ) (resid 14  and name HA    ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 17  and name HN    ) 6.0 4.2 0.0
assign (resid 14  and name HN    ) (resid 24  and name HA    ) 4.5 2.7 0.5
assign (resid 14  and name HA    ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 16  and name HN    ) (resid 15  and name HA    ) 4.5 2.7 0.5
assign (resid 15  and name HN    ) (resid 16  and name HN    ) 2.8 1.0 0.0
assign (resid 16  and name HN    ) (resid 17  and name HA    ) 6.0 4.2 0.0
assign (resid 17  and name HN    ) (resid 16  and name HN    ) 2.8 1.0 0.0
assign (resid 18  and name HN    ) (resid 16  and name HA    ) 4.5 2.7 0.5
assign (resid 18  and name HN    ) (resid 16  and name HB    ) 4.5 2.7 0.5
assign (resid 18  and name HN    ) (resid 16  and name HG2#  ) 6.0 4.2 0.0
assign (resid 18  and name HN    ) (resid 16  and name HN    ) 4.5 2.7 0.5
assign (resid 16  and name HG1#  ) (resid 27  and name HG1#  ) 3.4 1.6 0.1
assign (resid 16  and name HN    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 16  and name HN    ) (resid 27  and name HG2#  ) 6.0 4.2 0.0
assign (resid 16  and name HA    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 16  and name HG2#  ) (resid 27  and name HG1#  ) 3.4 1.6 0.1
assign (resid 18  and name HN    ) (resid 17  and name HA    ) 4.5 2.7 0.5
assign (resid 18  and name HN    ) (resid 17  and name HN    ) 3.4 1.6 0.1
assign (resid 17  and name HA    ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 20  and name HN    ) (resid 17  and name HA    ) 4.5 2.7 0.5
assign (resid 21  and name HN    ) (resid 17  and name HA    ) 4.5 2.7 0.5
assign (resid 22  and name HN    ) (resid 17  and name HA    ) 3.4 1.6 0.1
assign (resid 17  and name HA    ) (resid 22  and name HD1#  ) 3.4 1.6 0.1
assign (resid 17  and name HA    ) (resid 22  and name HB    ) 4.5 2.7 0.5
assign (resid 17  and name HA    ) (resid 22  and name HG11  ) 4.5 2.7 0.5
assign (resid 17  and name HA    ) (resid 22  and name HG2#  ) 4.5 2.7 0.5
assign (resid 23  and name HN    ) (resid 17  and name HA    ) 6.0 4.2 0.0
assign (resid 24  and name HN    ) (resid 17  and name HB#   ) 4.5 2.7 0.5
assign (resid 17  and name HN    ) (resid 24  and name HA    ) 4.5 2.7 0.5
assign (resid 17  and name HA    ) (resid 26  and name HB#   ) 6.0 4.2 0.0
assign (resid 17  and name HB#   ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 17  and name HN    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 17  and name HN    ) (resid 27  and name HG2#  ) 3.4 1.6 0.1
assign (resid 17  and name HA    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 17  and name HA    ) (resid 27  and name HG2#  ) 3.4 1.6 0.1
assign (resid 17  and name HB#   ) (resid 27  and name HG2#  ) 2.8 1.0 0.0
assign (resid 19  and name HN    ) (resid 18  and name HG#   ) 4.5 2.7 0.5
assign (resid 18  and name HN    ) (resid 19  and name HN    ) 2.8 1.0 0.0
assign (resid 20  and name HN    ) (resid 18  and name HB#   ) 6.0 4.2 0.0
assign (resid 18  and name HN    ) (resid 20  and name HN    ) 4.5 2.7 0.5
assign (resid 20  and name HN    ) (resid 18  and name HA    ) 4.5 2.7 0.5
assign (resid 18  and name HN    ) (resid 27  and name HG2#  ) 6.0 4.2 0.0
assign (resid 20  and name HN    ) (resid 19  and name HB#   ) 3.4 1.6 0.1
assign (resid 21  and name HN    ) (resid 19  and name HA    ) 4.5 2.7 0.5
assign (resid 21  and name HN    ) (resid 20  and name HD1#  ) 6.0 4.2 0.0
assign (resid 21  and name HN    ) (resid 20  and name HA    ) 3.4 1.6 0.1
assign (resid 21  and name HN    ) (resid 20  and name HN    ) 2.8 1.0 0.0
assign (resid 20  and name HN    ) (resid 22  and name HD1#  ) 4.5 2.7 0.5
assign (resid 22  and name HN    ) (resid 20  and name HN    ) 4.5 2.7 0.5
assign (resid 20  and name HN    ) (resid 22  and name HG2#  ) 6.0 4.2 0.0
assign (resid 20  and name HD1#  ) (resid 22  and name HG2#  ) 3.4 1.6 0.1
assign (resid 20  and name HD1#  ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 20  and name HD1#  ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 30  and name HZ2   ) (resid 20  and name HD1#  ) 2.8 1.0 0.0
assign (resid 38  and name HA    ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 38  and name HB1   ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 38  and name HB2   ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 20  and name HN    ) (resid 42  and name HD2#  ) 4.5 2.7 0.5
assign (resid 42  and name HA    ) (resid 20  and name HD1#  ) 4.5 2.7 0.5
assign (resid 21  and name HN    ) (resid 22  and name HG2#  ) 4.5 2.7 0.5
assign (resid 21  and name HN    ) (resid 22  and name HN    ) 2.8 1.0 0.0
assign (resid 23  and name HN    ) (resid 22  and name HB    ) 2.8 1.0 0.0
assign (resid 23  and name HN    ) (resid 22  and name HG2#  ) 3.4 1.6 0.1
assign (resid 23  and name HN    ) (resid 22  and name HD1#  ) 4.5 2.7 0.5
assign (resid 23  and name HN    ) (resid 22  and name HA    ) 3.4 1.6 0.1
assign (resid 23  and name HA    ) (resid 22  and name HB    ) 6.0 4.2 0.0
assign (resid 23  and name HN    ) (resid 22  and name HN    ) 6.0 4.2 0.0
assign (resid 25  and name HN    ) (resid 22  and name HG1#  ) 6.0 4.2 0.0
assign (resid 26  and name HB#   ) (resid 22  and name HD1#  ) 2.8 1.0 0.0
assign (resid 26  and name HB#   ) (resid 22  and name HG2#  ) 4.5 2.7 0.5
assign (resid 27  and name HN    ) (resid 22  and name HG1#  ) 6.0 4.2 0.0
assign (resid 27  and name HN    ) (resid 22  and name HD1#  ) 4.5 2.7 0.5
assign (resid 22  and name HG2#  ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 22  and name HG1#  ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 22  and name HD1#  ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 30  and name HE1   ) (resid 22  and name HG2#  ) 6.0 4.2 0.0
assign (resid 30  and name HZ2   ) (resid 22  and name HG2#  ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 22  and name HD1#  ) 3.4 1.6 0.1
assign (resid 24  and name HN    ) (resid 23  and name HA    ) 2.8 1.0 0.0
assign (resid 24  and name HN    ) (resid 23  and name HB#   ) 3.4 1.6 0.1
assign (resid 23  and name HA    ) (resid 24  and name HB#   ) 4.5 2.7 0.5
assign (resid 24  and name HN    ) (resid 23  and name HN    ) 4.5 2.7 0.5
assign (resid 25  and name HN    ) (resid 23  and name HA    ) 4.5 2.7 0.5
assign (resid 25  and name HN    ) (resid 23  and name HB#   ) 3.4 1.6 0.1
assign (resid 23  and name HN    ) (resid 26  and name HB#   ) 3.4 1.6 0.1
assign (resid 26  and name HN    ) (resid 23  and name HB#   ) 4.5 2.7 0.5
assign (resid 23  and name HA    ) (resid 26  and name HB#   ) 4.5 2.7 0.5
assign (resid 23  and name HB2   ) (resid 26  and name HB#   ) 6.0 4.2 0.0
assign (resid 23  and name HN    ) (resid 26  and name HN    ) 4.5 2.7 0.5
assign (resid 25  and name HN    ) (resid 24  and name HB#   ) 3.4 1.6 0.1
assign (resid 24  and name HN    ) (resid 25  and name HN    ) 3.4 1.6 0.1
assign (resid 24  and name HN    ) (resid 25  and name HB#   ) 4.5 2.7 0.5
assign (resid 24  and name HN    ) (resid 26  and name HN    ) 4.5 2.7 0.5
assign (resid 24  and name HN    ) (resid 26  and name HB#   ) 6.0 4.2 0.0
assign (resid 24  and name HA    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 24  and name HA    ) (resid 27  and name HG2#  ) 3.4 1.6 0.1
assign (resid 25  and name HN    ) (resid 26  and name HB#   ) 4.5 2.7 0.5
assign (resid 25  and name HN    ) (resid 26  and name HN    ) 2.8 1.0 0.0
assign (resid 25  and name HN    ) (resid 27  and name HN    ) 4.5 2.7 0.5
assign (resid 25  and name HN    ) (resid 28  and name HN    ) 4.5 2.7 0.5
assign (resid 29  and name HE21  ) (resid 25  and name HB#   ) 6.0 4.2 0.0
assign (resid 29  and name HE22  ) (resid 25  and name HB#   ) 6.0 4.2 0.0
assign (resid 29  and name HN    ) (resid 25  and name HB#   ) 6.0 4.2 0.0
assign (resid 26  and name HN    ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 27  and name HN    ) (resid 26  and name HB#   ) 3.4 1.6 0.1
assign (resid 26  and name HN    ) (resid 27  and name HN    ) 2.8 1.0 0.0
assign (resid 26  and name HB#   ) (resid 27  and name HG2#  ) 3.4 1.6 0.1
assign (resid 26  and name HB#   ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 29  and name HN    ) (resid 26  and name HA    ) 4.5 2.7 0.5
assign (resid 26  and name HA    ) (resid 29  and name HB#   ) 4.5 2.7 0.5
assign (resid 29  and name HN    ) (resid 26  and name HB#   ) 6.0 4.2 0.0
assign (resid 29  and name HE2#  ) (resid 26  and name HA    ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 26  and name HA    ) 6.0 4.2 0.0
assign (resid 30  and name HE1   ) (resid 26  and name HB#   ) 4.5 2.7 0.5
assign (resid 30  and name HZ2   ) (resid 26  and name HB#   ) 4.5 2.7 0.5
assign (resid 30  and name HD1   ) (resid 26  and name HB#   ) 4.5 2.7 0.5
assign (resid 30  and name HN    ) (resid 26  and name HA    ) 4.5 2.7 0.5
assign (resid 28  and name HN    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 28  and name HN    ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 28  and name HA    ) (resid 27  and name HG1#  ) 3.4 1.6 0.1
assign (resid 28  and name HN    ) (resid 27  and name HN    ) 2.8 1.0 0.0
assign (resid 27  and name HN    ) (resid 28  and name HA    ) 6.0 4.2 0.0
assign (resid 29  and name HN    ) (resid 27  and name HG2#  ) 6.0 4.2 0.0
assign (resid 29  and name HN    ) (resid 27  and name HA    ) 4.5 2.7 0.5
assign (resid 29  and name HN    ) (resid 27  and name HB    ) 6.0 4.2 0.0
assign (resid 29  and name HN    ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 29  and name HN    ) (resid 27  and name HN    ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 27  and name HA    ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 30  and name HE1   ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 30  and name HN    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 30  and name HE3   ) (resid 27  and name HG1#  ) 3.4 1.6 0.1
assign (resid 30  and name HZ2   ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 30  and name HD1   ) (resid 27  and name HG1#  ) 6.0 4.2 0.0
assign (resid 30  and name HD1   ) (resid 27  and name HG2#  ) 6.0 4.2 0.0
assign (resid 34  and name HG2#  ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 29  and name HN    ) (resid 28  and name HA    ) 4.5 2.7 0.5
assign (resid 28  and name HN    ) (resid 29  and name HN    ) 3.4 1.6 0.1
assign (resid 30  and name HN    ) (resid 29  and name HA    ) 3.4 1.6 0.1
assign (resid 29  and name HN    ) (resid 30  and name HB#   ) 6.0 4.2 0.0
assign (resid 30  and name HN    ) (resid 29  and name HN    ) 2.8 1.0 0.0
assign (resid 31  and name HN    ) (resid 30  and name HN    ) 6.0 4.2 0.0
assign (resid 31  and name HN    ) (resid 30  and name HB2   ) 4.5 2.7 0.5
assign (resid 31  and name HN    ) (resid 30  and name HB1   ) 4.5 2.7 0.5
assign (resid 31  and name HN    ) (resid 30  and name HD1   ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 34  and name HA    ) 6.0 4.2 0.0
assign (resid 30  and name HE1   ) (resid 34  and name HG2#  ) 6.0 4.2 0.0
assign (resid 30  and name HN    ) (resid 34  and name HG2#  ) 6.0 4.2 0.0
assign (resid 30  and name HE3   ) (resid 34  and name HG2#  ) 2.8 1.0 0.0
assign (resid 30  and name HZ2   ) (resid 34  and name HG2#  ) 6.0 4.2 0.0
assign (resid 30  and name HD1   ) (resid 34  and name HG2#  ) 6.0 4.2 0.0
assign (resid 30  and name HB1   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 30  and name HB2   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 34  and name HA    ) (resid 30  and name HB2   ) 4.5 2.7 0.5
assign (resid 34  and name HA    ) (resid 30  and name HB1   ) 4.5 2.7 0.5
assign (resid 30  and name HD1   ) (resid 34  and name HA    ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 35  and name HA    ) 6.0 4.2 0.0
assign (resid 30  and name HB#   ) (resid 35  and name HD#   ) 6.0 4.2 0.0
assign (resid 30  and name HE1   ) (resid 35  and name HD2   ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 35  and name HD1   ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 35  and name HG1   ) 4.5 2.7 0.5
assign (resid 30  and name HZ2   ) (resid 35  and name HD#   ) 6.0 4.2 0.0
assign (resid 30  and name HE1   ) (resid 35  and name HG2   ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 35  and name HB#   ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 38  and name HB#   ) 4.5 2.7 0.5
assign (resid 30  and name HE1   ) (resid 38  and name HN    ) 6.0 4.2 0.0
assign (resid 30  and name HZ2   ) (resid 38  and name HA    ) 4.5 2.7 0.5
assign (resid 32  and name HN    ) (resid 31  and name HA    ) 2.8 1.0 0.0
assign (resid 31  and name HN    ) (resid 32  and name HN    ) 4.5 2.7 0.5
assign (resid 31  and name HN    ) (resid 33  and name HN    ) 6.0 4.2 0.0
assign (resid 32  and name HN    ) (resid 31  and name HE#   ) 6.0 4.2 0.0
assign (resid 32  and name HN    ) (resid 31  and name HB#   ) 2.8 1.0 0.0
assign (resid 33  and name HN    ) (resid 31  and name HA    ) 6.0 4.2 0.0
assign (resid 31  and name HN    ) (resid 34  and name HA    ) 4.5 2.7 0.5
assign (resid 32  and name HN    ) (resid 33  and name HN    ) 3.4 1.6 0.1
assign (resid 32  and name HB#   ) (resid 33  and name HG1#  ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 33  and name HG1#  ) 6.0 4.2 0.0
assign (resid 57  and name HD#   ) (resid 33  and name HG2#  ) 6.0 4.2 0.0
assign (resid 57  and name HD#   ) (resid 33  and name HG1#  ) 4.5 2.7 0.5
assign (resid 33  and name HG1#  ) (resid 56  and name HB#   ) 3.4 1.6 0.1
assign (resid 33  and name HG1#  ) (resid 57  and name HE#   ) 3.4 1.6 0.1
assign (resid 34  and name HN    ) (resid 35  and name HD#   ) 6.0 4.2 0.0
assign (resid 35  and name HD2   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 35  and name HD2   ) (resid 34  and name HD1#  ) 6.0 4.2 0.0
assign (resid 35  and name HD1   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 34  and name HA    ) (resid 35  and name HD#   ) 2.8 1.0 0.0
assign (resid 34  and name HA    ) (resid 35  and name HG#   ) 4.5 2.7 0.5
assign (resid 36  and name HA    ) (resid 34  and name HD1#  ) 6.0 4.2 0.0
assign (resid 38  and name HB2   ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 38  and name HB2   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 38  and name HN    ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 38  and name HB1   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 38  and name HB1   ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 39  and name HN    ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 39  and name HN    ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 39  and name HA    ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 39  and name HA    ) (resid 34  and name HD1#  ) 2.8 1.0 0.0
assign (resid 39  and name HB#   ) (resid 34  and name HD1#  ) 3.4 1.6 0.1
assign (resid 42  and name HN    ) (resid 34  and name HD1#  ) 6.0 4.2 0.0
assign (resid 42  and name HG    ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 36  and name HN    ) (resid 35  and name HA    ) 2.8 1.0 0.0
assign (resid 35  and name HA    ) (resid 36  and name HA    ) 6.0 4.2 0.0
assign (resid 36  and name HN    ) (resid 35  and name HB#   ) 4.5 2.7 0.5
assign (resid 36  and name HN    ) (resid 35  and name HG#   ) 4.5 2.7 0.5
assign (resid 35  and name HA    ) (resid 37  and name HN    ) 6.0 4.2 0.0
assign (resid 38  and name HN    ) (resid 35  and name HA    ) 6.0 4.2 0.0
assign (resid 57  and name HE#   ) (resid 35  and name HA    ) 4.5 2.7 0.5
assign (resid 57  and name HD#   ) (resid 35  and name HA    ) 6.0 4.2 0.0
assign (resid 37  and name HN    ) (resid 36  and name HA    ) 4.5 2.7 0.5
assign (resid 37  and name HN    ) (resid 36  and name HB#   ) 4.5 2.7 0.5
assign (resid 36  and name HN    ) (resid 37  and name HN    ) 2.8 1.0 0.0
assign (resid 36  and name HN    ) (resid 39  and name HN    ) 6.0 4.2 0.0
assign (resid 52  and name HE#   ) (resid 36  and name HA    ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 36  and name HG2   ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 36  and name HG1   ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 36  and name HB#   ) 4.5 2.7 0.5
assign (resid 36  and name HN    ) (resid 52  and name HE#   ) 6.0 4.2 0.0
assign (resid 57  and name HD#   ) (resid 36  and name HA    ) 4.5 2.7 0.5
assign (resid 57  and name HD#   ) (resid 36  and name HB#   ) 4.5 2.7 0.5
assign (resid 36  and name HN    ) (resid 57  and name HA    ) 6.0 4.2 0.0
assign (resid 36  and name HN    ) (resid 57  and name HD#   ) 4.5 2.7 0.5
assign (resid 36  and name HN    ) (resid 57  and name HE#   ) 4.5 2.7 0.5
assign (resid 37  and name HN    ) (resid 38  and name HN    ) 3.4 1.6 0.1
assign (resid 38  and name HN    ) (resid 37  and name HG#   ) 4.5 2.7 0.5
assign (resid 37  and name HN    ) (resid 39  and name HN    ) 4.5 2.7 0.5
assign (resid 39  and name HN    ) (resid 37  and name HA    ) 4.5 2.7 0.5
assign (resid 37  and name HA    ) (resid 40  and name HN    ) 3.4 1.6 0.1
assign (resid 39  and name HN    ) (resid 38  and name HA    ) 4.5 2.7 0.5
assign (resid 39  and name HN    ) (resid 38  and name HB#   ) 3.4 1.6 0.1
assign (resid 39  and name HN    ) (resid 38  and name HN    ) 2.8 1.0 0.0
assign (resid 40  and name HD#   ) (resid 38  and name HA    ) 6.0 4.2 0.0
assign (resid 40  and name HN    ) (resid 38  and name HA    ) 4.5 2.7 0.5
assign (resid 38  and name HA    ) (resid 41  and name HD#   ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 38  and name HA    ) 4.5 2.7 0.5
assign (resid 40  and name HA    ) (resid 39  and name HB#   ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 39  and name HB#   ) 6.0 4.2 0.0
assign (resid 52  and name HD#   ) (resid 39  and name HB#   ) 2.8 1.0 0.0
assign (resid 52  and name HE#   ) (resid 39  and name HB#   ) 3.4 1.6 0.1
assign (resid 57  and name HD#   ) (resid 39  and name HB#   ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 40  and name HB#   ) 6.0 4.2 0.0
assign (resid 40  and name HE#   ) (resid 41  and name HD#   ) 6.0 4.2 0.0
assign (resid 42  and name HN    ) (resid 40  and name HN    ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 40  and name HD#   ) 6.0 4.2 0.0
assign (resid 42  and name HN    ) (resid 40  and name HA    ) 6.0 4.2 0.0
assign (resid 40  and name HE#   ) (resid 44  and name HG1#  ) 6.0 4.2 0.0
assign (resid 40  and name HE#   ) (resid 44  and name HD1#  ) 3.4 1.6 0.1
assign (resid 40  and name HE#   ) (resid 44  and name HG2#  ) 6.0 4.2 0.0
assign (resid 52  and name HN    ) (resid 40  and name HA    ) 6.0 4.2 0.0
assign (resid 52  and name HE#   ) (resid 40  and name HB#   ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 40  and name HE#   ) 6.0 4.2 0.0
assign (resid 52  and name HD#   ) (resid 40  and name HE#   ) 6.0 4.2 0.0
assign (resid 40  and name HA    ) (resid 52  and name HB#   ) 4.5 2.7 0.5
assign (resid 40  and name HN    ) (resid 52  and name HD#   ) 4.5 2.7 0.5
assign (resid 52  and name HD#   ) (resid 40  and name HB#   ) 4.5 2.7 0.5
assign (resid 52  and name HD#   ) (resid 40  and name HA    ) 3.4 1.6 0.1
assign (resid 52  and name HE#   ) (resid 40  and name HA    ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 40  and name HN    ) 4.5 2.7 0.5
assign (resid 40  and name HE#   ) (resid 52  and name HB#   ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 41  and name HB#   ) 4.5 2.7 0.5
assign (resid 41  and name HD#   ) (resid 45  and name HG1#  ) 6.0 4.2 0.0
assign (resid 45  and name HN    ) (resid 41  and name HA    ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 43  and name HN    ) 3.4 1.6 0.1
assign (resid 42  and name HN    ) (resid 44  and name HN    ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 45  and name HN    ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 42  and name HA    ) 3.4 1.6 0.1
assign (resid 45  and name HN    ) (resid 42  and name HD2#  ) 6.0 4.2 0.0
assign (resid 52  and name HE#   ) (resid 42  and name HD1#  ) 6.0 4.2 0.0
assign (resid 43  and name HN    ) (resid 44  and name HN    ) 3.4 1.6 0.1
assign (resid 44  and name HN    ) (resid 43  and name HA    ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 43  and name HN    ) 4.5 2.7 0.5
assign (resid 46  and name HA    ) (resid 43  and name HA    ) 6.0 4.2 0.0
assign (resid 46  and name HN    ) (resid 43  and name HA    ) 4.5 2.7 0.5
assign (resid 47  and name HN    ) (resid 43  and name HA    ) 6.0 4.2 0.0
assign (resid 48  and name HN    ) (resid 43  and name HA    ) 4.5 2.7 0.5
assign (resid 48  and name HA#   ) (resid 43  and name HG#   ) 3.4 1.6 0.1
assign (resid 43  and name HA    ) (resid 48  and name HA#   ) 4.5 2.7 0.5
assign (resid 48  and name HN    ) (resid 43  and name HG#   ) 4.5 2.7 0.5
assign (resid 43  and name HG#   ) (resid 51  and name HA    ) 3.4 1.6 0.1
assign (resid 52  and name HN    ) (resid 43  and name HN    ) 6.0 4.2 0.0
assign (resid 52  and name HN    ) (resid 43  and name HG#   ) 4.5 2.7 0.5
assign (resid 52  and name HB#   ) (resid 43  and name HB#   ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 44  and name HA    ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 44  and name HB    ) 2.8 1.0 0.0
assign (resid 45  and name HN    ) (resid 44  and name HG11  ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 44  and name HD1#  ) 6.0 4.2 0.0
assign (resid 45  and name HN    ) (resid 44  and name HG12  ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 44  and name HN    ) 3.4 1.6 0.1
assign (resid 45  and name HN    ) (resid 44  and name HG2#  ) 3.4 1.6 0.1
assign (resid 44  and name HN    ) (resid 45  and name HA    ) 6.0 4.2 0.0
assign (resid 46  and name HN    ) (resid 44  and name HA    ) 4.5 2.7 0.5
assign (resid 47  and name HN    ) (resid 44  and name HA    ) 4.5 2.7 0.5
assign (resid 48  and name HN    ) (resid 44  and name HA    ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 46  and name HG2#  ) 4.5 2.7 0.5
assign (resid 46  and name HN    ) (resid 45  and name HB    ) 3.4 1.6 0.1
assign (resid 45  and name HN    ) (resid 46  and name HN    ) 3.4 1.6 0.1
assign (resid 47  and name HN    ) (resid 45  and name HA    ) 4.5 2.7 0.5
assign (resid 45  and name HN    ) (resid 47  and name HN    ) 4.5 2.7 0.5
assign (resid 48  and name HN    ) (resid 45  and name HN    ) 4.5 2.7 0.5
assign (resid 47  and name HN    ) (resid 46  and name HA    ) 3.4 1.6 0.1
assign (resid 47  and name HN    ) (resid 46  and name HB    ) 4.5 2.7 0.5
assign (resid 46  and name HA    ) (resid 47  and name HB#   ) 4.5 2.7 0.5
assign (resid 47  and name HN    ) (resid 46  and name HN    ) 3.4 1.6 0.1
assign (resid 48  and name HN    ) (resid 46  and name HN    ) 4.5 2.7 0.5
assign (resid 48  and name HN    ) (resid 46  and name HG2#  ) 6.0 4.2 0.0
assign (resid 48  and name HN    ) (resid 46  and name HA    ) 6.0 4.2 0.0
assign (resid 48  and name HN    ) (resid 46  and name HB    ) 6.0 4.2 0.0
assign (resid 49  and name HN    ) (resid 46  and name HA    ) 4.5 2.7 0.5
assign (resid 49  and name HN    ) (resid 46  and name HB    ) 3.4 1.6 0.1
assign (resid 49  and name HN    ) (resid 46  and name HG2#  ) 4.5 2.7 0.5
assign (resid 50  and name HN    ) (resid 46  and name HA    ) 6.0 4.2 0.0
assign (resid 50  and name HN    ) (resid 46  and name HB    ) 4.5 2.7 0.5
assign (resid 47  and name HN    ) (resid 48  and name HA#   ) 6.0 4.2 0.0
assign (resid 48  and name HN    ) (resid 47  and name HN    ) 3.4 1.6 0.1
assign (resid 48  and name HN    ) (resid 47  and name HB#   ) 4.5 2.7 0.5
assign (resid 49  and name HN    ) (resid 47  and name HB#   ) 4.5 2.7 0.5
assign (resid 47  and name HN    ) (resid 49  and name HN    ) 4.5 2.7 0.5
assign (resid 49  and name HN    ) (resid 48  and name HA#   ) 4.5 2.7 0.5
assign (resid 49  and name HB#   ) (resid 48  and name HN    ) 6.0 4.2 0.0
assign (resid 48  and name HN    ) (resid 49  and name HN    ) 3.4 1.6 0.1
assign (resid 50  and name HN    ) (resid 48  and name HA#   ) 4.5 2.7 0.5
assign (resid 48  and name HN    ) (resid 50  and name HN    ) 4.5 2.7 0.5
assign (resid 49  and name HN    ) (resid 50  and name HN    ) 3.4 1.6 0.1
assign (resid 51  and name HN    ) (resid 50  and name HD2#  ) 4.5 2.7 0.5
assign (resid 52  and name HN    ) (resid 51  and name HG#   ) 4.5 2.7 0.5
assign (resid 51  and name HA    ) (resid 52  and name HB#   ) 4.5 2.7 0.5
assign (resid 52  and name HN    ) (resid 51  and name HA    ) 2.8 1.0 0.0
assign (resid 52  and name HN    ) (resid 51  and name HN    ) 6.0 4.2 0.0
assign (resid 52  and name HN    ) (resid 51  and name HB#   ) 4.5 2.7 0.5
assign (resid 53  and name HN    ) (resid 52  and name HA    ) 3.4 1.6 0.1
assign (resid 53  and name HN    ) (resid 52  and name HB#   ) 6.0 4.2 0.0
assign (resid 52  and name HE#   ) (resid 53  and name HA    ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 54  and name HG#   ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 54  and name HB#   ) 4.5 2.7 0.5
assign (resid 54  and name HN    ) (resid 52  and name HE#   ) 4.5 2.7 0.5
assign (resid 52  and name HE#   ) (resid 54  and name HA    ) 3.4 1.6 0.1
assign (resid 52  and name HE#   ) (resid 57  and name HB1   ) 6.0 4.2 0.0
assign (resid 57  and name HD#   ) (resid 52  and name HD#   ) 3.4 1.6 0.1
assign (resid 57  and name HD#   ) (resid 52  and name HE#   ) 3.4 1.6 0.1
assign (resid 54  and name HN    ) (resid 53  and name HA    ) 2.8 1.0 0.0
assign (resid 53  and name HA    ) (resid 55  and name HN    ) 6.0 4.2 0.0
assign (resid 54  and name HN    ) (resid 53  and name HG#   ) 4.5 2.7 0.5
assign (resid 54  and name HN    ) (resid 55  and name HA    ) 6.0 4.2 0.0
assign (resid 55  and name HN    ) (resid 54  and name HG#   ) 4.5 2.7 0.5
assign (resid 55  and name HA    ) (resid 54  and name HG#   ) 6.0 4.2 0.0
assign (resid 56  and name HN    ) (resid 54  and name HA    ) 4.5 2.7 0.5
assign (resid 57  and name HD#   ) (resid 54  and name HG#   ) 4.5 2.7 0.5
assign (resid 54  and name HA    ) (resid 57  and name HB1   ) 4.5 2.7 0.5
assign (resid 54  and name HN    ) (resid 57  and name HD#   ) 6.0 4.2 0.0
assign (resid 57  and name HD#   ) (resid 54  and name HA    ) 3.4 1.6 0.1
assign (resid 58  and name HN    ) (resid 54  and name HG#   ) 6.0 4.2 0.0
assign (resid 54  and name HG#   ) (resid 58  and name HG#   ) 4.5 2.7 0.5
assign (resid 54  and name HA    ) (resid 58  and name HN    ) 4.5 2.7 0.5
assign (resid 55  and name HA    ) (resid 56  and name HB#   ) 6.0 4.2 0.0
assign (resid 55  and name HN    ) (resid 56  and name HN    ) 4.5 2.7 0.5
assign (resid 55  and name HN    ) (resid 56  and name HB#   ) 6.0 4.2 0.0
assign (resid 56  and name HN    ) (resid 55  and name HA    ) 4.5 2.7 0.5
assign (resid 57  and name HN    ) (resid 55  and name HA    ) 4.5 2.7 0.5
assign (resid 57  and name HD#   ) (resid 55  and name HA    ) 6.0 4.2 0.0
assign (resid 55  and name HA    ) (resid 58  and name HB1   ) 4.5 2.7 0.5
assign (resid 55  and name HA    ) (resid 58  and name HG#   ) 4.5 2.7 0.5
assign (resid 55  and name HA    ) (resid 58  and name HD#   ) 6.0 4.2 0.0
assign (resid 58  and name HN    ) (resid 55  and name HA    ) 4.5 2.7 0.5
assign (resid 55  and name HA    ) (resid 58  and name HB2   ) 4.5 2.7 0.5
assign (resid 57  and name HN    ) (resid 56  and name HB#   ) 3.4 1.6 0.1
assign (resid 57  and name HD#   ) (resid 56  and name HB#   ) 4.5 2.7 0.5
assign (resid 57  and name HD#   ) (resid 56  and name HA    ) 6.0 4.2 0.0
assign (resid 56  and name HA    ) (resid 58  and name HN    ) 4.5 2.7 0.5
assign (resid 58  and name HN    ) (resid 57  and name HD#   ) 4.5 2.7 0.5
assign (resid 58  and name HN    ) (resid 57  and name HB2   ) 4.5 2.7 0.5
assign (resid 58  and name HN    ) (resid 57  and name HB1   ) 6.0 4.2 0.0

{*ambiguous nOe distance restraints*}
assign (resid 19  and name HN    ) (resid 45  and name HG##  ) 4.5 2.7 0.5
assign (resid 20  and name HN    ) (resid 45  and name HG##  ) 6.0 4.2 0.0
assign (resid 9   and name HE1   ) (resid 45  and name HG##  ) 6.0 4.2 0.0
assign (resid 16  and name HA    ) (resid 30  and name HH2 or 
        resid 30  and name HZ3   )  4.5  2.7 0.5 
assign (resid 3   and name HA    ) (resid 30  and name HH2 or 
        resid 30  and name HZ3   )  4.5  2.7 0.5 
assign (resid 27  and name HG1#  ) (resid 30  and name HH2 or 
        resid 30  and name HZ3   )  3.4  1.6 0.1  
assign (resid 6   and name HG2#  ) (resid 30  and name HH2 or 
        resid 30  and name HZ3   )  3.4  1.6 0.1 
assign (resid 20  and name HD1#  ) (resid 30  and name HH2 or 
        resid 30  and name HZ3   )  2.8  1.0 0.0 
assign (resid 30  and name HE3   ) (resid 27  and name HG2# or 
        resid 34  and name HD1#  )  4.5  2.7 0.5 
assign (resid 30  and name HZ2   ) (resid 27  and name HG2# or 
        resid 34  and name HD1#  )  3.4  1.6 0.1 
assign (resid 52  and name HE#   ) (resid 34  and name HB or
        resid 34  and name HG1#  )  6.0  4.2 0.0 

{*nOe distance restraints assignable only in the c13 noesy*}
assign (resid 1   and name HE#   ) (resid 43  and name HA    ) 4.5 2.7 0.5
assign (resid 1   and name HE#   ) (resid 39  and name HA    ) 4.5 2.7 0.5
assign (resid 1   and name HE#   ) (resid 50  and name HB1   ) 4.5 2.7 0.5
assign (resid 1   and name HE#   ) (resid 50  and name HB2   ) 4.5 2.7 0.5
assign (resid 1   and name HB1   ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 1   and name HB2   ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 2   and name HB1   ) (resid 4   and name HB#   ) 4.5 2.7 0.5
assign (resid 2   and name HA    ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 2   and name HA    ) (resid 33  and name HG1#  ) 4.5 2.7 0.5
assign (resid 3   and name HD1   ) (resid 30  and name HB1   ) 4.5 2.7 0.5
assign (resid 3   and name HD1   ) (resid 30  and name HB2   ) 4.5 2.7 0.5
assign (resid 3   and name HD#   ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 4   and name HA    ) (resid 7   and name HG2#  ) 4.5 2.7 0.5
assign (resid 4   and name HA    ) (resid 7   and name HB    ) 4.5 2.7 0.5
assign (resid 5   and name HB2   ) (resid 50  and name HD2#  ) 4.5 2.7 0.5
assign (resid 6   and name HB    ) (resid 34  and name HD1#  ) 4.5 2.7 0.5
assign (resid 6   and name HB    ) (resid 16  and name HG2#  ) 4.5 2.7 0.5
assign (resid 7   and name HG2#  ) (resid 13  and name HA    ) 4.5 2.7 0.5
assign (resid 7   and name HG1#  ) (resid 13  and name HA    ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 7   and name HD1#  ) 4.5 2.7 0.5
assign (resid 13  and name HN    ) (resid 7   and name HG2#  ) 4.5 2.7 0.5
assign (resid 9   and name HB#   ) (resid 50  and name HD2#  ) 4.5 2.7 0.5
assign (resid 12  and name HB    ) (resid 14  and name HB1   ) 4.5 2.7 0.5
assign (resid 12  and name HB    ) (resid 14  and name HB2   ) 4.5 2.7 0.5
assign (resid 13  and name HA    ) (resid 16  and name HB    ) 4.5 2.7 0.5
assign (resid 13  and name HB2   ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 14  and name HA    ) (resid 24  and name HB#   ) 4.5 2.7 0.5
assign (resid 15  and name HB#   ) (resid 16  and name HG2#  ) 4.5 2.7 0.5
assign (resid 16  and name HA    ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 16  and name HB    ) (resid 27  and name HG1#  ) 4.5 2.7 0.5
assign (resid 16  and name HB    ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 16  and name HG1#  ) (resid 17  and name HA    ) 4.5 2.7 0.5
assign (resid 16  and name HA    ) (resid 19  and name HB#   ) 4.5 2.7 0.5
assign (resid 17  and name HA    ) (resid 20  and name HB#   ) 4.5 2.7 0.5
assign (resid 17  and name HA    ) (resid 22  and name HG12  ) 4.5 2.7 0.5
assign (resid 45  and name HB    ) (resid 19  and name HB#   ) 4.5 2.7 0.5
assign (resid 20  and name HB#   ) (resid 22  and name HD1#  ) 4.5 2.7 0.5
assign (resid 20  and name HD1#  ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 20  and name HD2#  ) (resid 38  and name HA    ) 4.5 2.7 0.5
assign (resid 20  and name HD2#  ) (resid 41  and name HG#   ) 4.5 2.7 0.5
assign (resid 20  and name HD2#  ) (resid 41  and name HD#   ) 4.5 2.7 0.5
assign (resid 42  and name HN    ) (resid 20  and name HD2#  ) 4.5 2.7 0.5
assign (resid 22  and name HB    ) (resid 26  and name HB#   ) 4.5 2.7 0.5
assign (resid 22  and name HD1#  ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 23  and name HB#   ) (resid 24  and name HB#   ) 4.5 2.7 0.5
assign (resid 23  and name HB#   ) (resid 25  and name HB#   ) 4.5 2.7 0.5
assign (resid 23  and name HB1   ) (resid 26  and name HB#   ) 6.0 4.2 0.0
assign (resid 24  and name HB#   ) (resid 27  and name HG2#  ) 4.5 2.7 0.5
assign (resid 32  and name HB#   ) (resid 33  and name HG2#  ) 4.5 2.7 0.5
assign (resid 33  and name HA    ) (resid 34  and name HG2#  ) 4.5 2.7 0.5
assign (resid 34  and name HB    ) (resid 35  and name HD1   ) 4.5 2.7 0.5
assign (resid 34  and name HB    ) (resid 35  and name HD2   ) 4.5 2.7 0.5
assign (resid 34  and name HB    ) (resid 39  and name HB#   ) 4.5 2.7 0.5
assign (resid 34  and name HD1#  ) (resid 35  and name HD1   ) 6.0 4.2 0.0
assign (resid 35  and name HA    ) (resid 36  and name HB#   ) 4.5 2.7 0.5
assign (resid 24  and name HA    ) (resid 27  and name HB    ) 4.5 2.7 0.5
assign (resid 38  and name HA    ) (resid 41  and name HD1   ) 4.5 2.7 0.5
assign (resid 38  and name HA    ) (resid 41  and name HD2   ) 4.5 2.7 0.5
assign (resid 52  and name HB#   ) (resid 39  and name HB#   ) 4.5 2.7 0.5
assign (resid 41  and name HA    ) (resid 44  and name HD1#  ) 4.5 2.7 0.5
assign (resid 41  and name HA    ) (resid 44  and name HB    ) 4.5 2.7 0.5
assign (resid 42  and name HA    ) (resid 45  and name HB    ) 4.5 2.7 0.5
assign (resid 52  and name HN    ) (resid 43  and name HB#   ) 4.5 2.7 0.5
assign (resid 46  and name HB    ) (resid 49  and name HB#   ) 4.5 2.7 0.5
assign (resid 52  and name HA    ) (resid 53  and name HG#   ) 4.5 2.7 0.5
assign (resid 53  and name HA    ) (resid 54  and name HG#   ) 4.5 2.7 0.5

{*nOe distance restraints assignable only in the n15 noesy*}
assign (resid 15  and name HN    ) (resid 14  and name HN    ) 4.5 2.7 0.5
assign (resid 34  and name HN    ) (resid 33  and name HA    ) 4.5 2.7 0.5
assign (resid 50  and name HN    ) (resid 1   and name HE#   ) 4.5 2.7 0.5
assign (resid 53  and name HE2#  ) (resid 51  and name HE#   ) 4.5 2.7 0.5
assign (resid 53  and name HE2#  ) (resid 51  and name HG#   ) 4.5 2.7 0.5
assign (resid 28  and name HN    ) (resid 27  and name HB    ) 4.5 2.7 0.5
assign (resid 7   and name HN    ) (resid 7   and name HB    ) 4.5 2.7 0.5
assign (resid 13  and name HE2#  ) (resid 24  and name HB#   ) 4.5 2.7 0.5
assign (resid 16  and name HA    ) (resid 20  and name HN    ) 4.5 2.7 0.5
assign (resid 13  and name HE21  ) (resid 28  and name HA    ) 4.5 2.7 0.5
assign (resid 19  and name HA    ) (resid 20  and name HN    ) 4.5 2.7 0.5

{*hydrogen bond distances*}
assign (resid  3 and name o )   (resid  7 and name hn )  2.0 0.5 0.3
assign (resid  3 and name o )   (resid  7 and name n )  3.0 0.6 0.3
assign (resid  13 and name o )  (resid  16 and name hn )  2.0 0.5 0.3
assign (resid  13 and name o )  (resid  16 and name n )  3.0 0.6 0.3
assign (resid  41 and name o )  (resid  45 and name hn )  2.0 0.5 0.3
assign (resid  41 and name o )  (resid  45 and name n )  3.0 0.6 0.3
assign (resid  1 and name o )   (resid  34 and name hn )  2.0 0.5 0.3
assign (resid  1 and name o )   (resid  34 and name n )  3.0 0.6 0.3
assign (resid  38 and name od2 )  (resid  30 and name he1 )  2.0 0.5 0.3
assign (resid  38 and name od2 )  (resid  30 and name ne1 )  3.0 0.6 0.3

{*phi dihedral angle restraints*}
assign (resid 2   and name c ) (resid 3   and name n )(resid 3   and name ca ) (resid 3   and name c ) 1.0 -65   25   2
assign (resid 3   and name c ) (resid 4   and name n )(resid 4   and name ca ) (resid 4   and name c ) 1.0 -65   25   2
assign (resid 6   and name c ) (resid 7   and name n )(resid 7   and name ca ) (resid 7   and name c ) 1.0 -65   25   2
assign (resid 7   and name c ) (resid 8   and name n )(resid 8   and name ca ) (resid 8   and name c ) 1.0 -65   25   2
assign (resid 8   and name c ) (resid 9   and name n )(resid 9   and name ca ) (resid 9   and name c ) 1.0 -65   25   2
assign (resid 9   and name c ) (resid 10  and name n )(resid 10  and name ca ) (resid 10  and name c ) 1.0 -120  40   2
assign (resid 11  and name c ) (resid 12  and name n )(resid 12  and name ca ) (resid 12  and name c ) 1.0 -120  40   2
assign (resid 12  and name c ) (resid 13  and name n )(resid 13  and name ca ) (resid 13  and name c ) 1.0 -65   25   2
assign (resid 13  and name c ) (resid 14  and name n )(resid 14  and name ca ) (resid 14  and name c ) 1.0 -65   25   2
assign (resid 15  and name c ) (resid 16  and name n )(resid 16  and name ca ) (resid 16  and name c ) 1.0 -65   25   2
assign (resid 16  and name c ) (resid 17  and name n )(resid 17  and name ca ) (resid 17  and name c ) 1.0 -65   25   2
assign (resid 17  and name c ) (resid 18  and name n )(resid 18  and name ca ) (resid 18  and name c ) 1.0 -65   25   2
assign (resid 19  and name c ) (resid 20  and name n )(resid 20  and name ca ) (resid 20  and name c ) 1.0 -120  40   2
assign (resid 21  and name c ) (resid 22  and name n )(resid 22  and name ca ) (resid 22  and name c ) 1.0 -120  40   2
assign (resid 23  and name c ) (resid 24  and name n )(resid 24  and name ca ) (resid 24  and name c ) 1.0 -65   25   2
assign (resid 24  and name c ) (resid 25  and name n )(resid 25  and name ca ) (resid 25  and name c ) 1.0 -65   25   2
assign (resid 25  and name c ) (resid 26  and name n )(resid 26  and name ca ) (resid 26  and name c ) 1.0 -65   25   2
assign (resid 27  and name c ) (resid 28  and name n )(resid 28  and name ca ) (resid 28  and name c ) 1.0 -65   25   2
assign (resid 30  and name c ) (resid 31  and name n )(resid 31  and name ca ) (resid 31  and name c ) 1.0 -120  40   2
assign (resid 31  and name c ) (resid 32  and name n )(resid 32  and name ca ) (resid 32  and name c ) 1.0 -65   25   2
assign (resid 32  and name c ) (resid 33  and name n )(resid 33  and name ca ) (resid 33  and name c ) 1.0 -120  40   2
assign (resid 35  and name c ) (resid 36  and name n )(resid 36  and name ca ) (resid 36  and name c ) 1.0 -65   25   2
assign (resid 36  and name c ) (resid 37  and name n )(resid 37  and name ca ) (resid 37  and name c ) 1.0 -65   25   2
assign (resid 37  and name c ) (resid 38  and name n )(resid 38  and name ca ) (resid 38  and name c ) 1.0 -120  40   2
assign (resid 38  and name c ) (resid 39  and name n )(resid 39  and name ca ) (resid 39  and name c ) 1.0 -65   25   2
assign (resid 39  and name c ) (resid 40  and name n )(resid 40  and name ca ) (resid 40  and name c ) 1.0 -65   25   2
assign (resid 40  and name c ) (resid 41  and name n )(resid 41  and name ca ) (resid 41  and name c ) 1.0 -65   25   2
assign (resid 41  and name c ) (resid 42  and name n )(resid 42  and name ca ) (resid 42  and name c ) 1.0 -65   25   2
assign (resid 42  and name c ) (resid 43  and name n )(resid 43  and name ca ) (resid 43  and name c ) 1.0 -65   25   2
assign (resid 44  and name c ) (resid 45  and name n )(resid 45  and name ca ) (resid 45  and name c ) 1.0 -65   25   2
assign (resid 45  and name c ) (resid 46  and name n )(resid 46  and name ca ) (resid 46  and name c ) 1.0 -120  40   2
assign (resid 48  and name c ) (resid 49  and name n )(resid 49  and name ca ) (resid 49  and name c ) 1.0 -65   25   2
assign (resid 49  and name c ) (resid 50  and name n )(resid 50  and name ca ) (resid 50  and name c ) 1.0 -120  40   2
assign (resid 50  and name c ) (resid 51  and name n )(resid 51  and name ca ) (resid 51  and name c ) 1.0 -120  40   2
assign (resid 52  and name c ) (resid 53  and name n )(resid 53  and name ca ) (resid 53  and name c ) 1.0 -120  40   2
assign (resid 53  and name c ) (resid 54  and name n )(resid 54  and name ca ) (resid 54  and name c ) 1.0 -65   25   2
assign (resid 54  and name c ) (resid 55  and name n )(resid 55  and name ca ) (resid 55  and name c ) 1.0 -65   25   2
assign (resid 56  and name c ) (resid 57  and name n )(resid 57  and name ca ) (resid 57  and name c ) 1.0 -120  40   2
assign (resid 57  and name c ) (resid 58  and name n )(resid 58  and name ca ) (resid 58  and name c ) 1.0 -120  40   2
assign (resid 58  and name c ) (resid 59  and name n )(resid 59  and name ca ) (resid 59  and name c ) 1.0 -120  40   2
assign (resid 60  and name c ) (resid 61  and name n )(resid 61  and name ca ) (resid 61  and name c ) 1.0 -120  40   2

{*chi1 dihedral angle restraints*}
assign (resid 3  and name n ) (resid 3  and name ca )(resid 3  and name cb ) (resid 3  and name cg ) 1.0 180  40   2
assign (resid 9  and name n ) (resid 9 and name ca )(resid 9  and name cb ) (resid 9  and name cg ) 1.0 180  40   2
assign (resid 36  and name n ) (resid 36  and name ca )(resid 36  and name cb ) (resid 36  and name cg ) 1.0 180  40   2
assign (resid 52  and name n ) (resid 52 and name ca )(resid 52  and name cb ) (resid 52  and name cg ) 1.0 180  40   2
assign (resid 22  and name n ) (resid 22 and name ca )(resid 22  and name cb ) (resid 22  and name cg1 ) 1.0 60  40   2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  -5.401   8.848   0.083
    2   2H    MET   1          2HT       MET   1  -4.570   8.425   1.525
    3   3H    MET   1          3HT       MET   1  -5.932   7.513   1.017
    4    HA   MET   1           HA       MET   1  -3.522   7.779  -0.628
    5   1HB   MET   1          2HB       MET   1  -3.716   6.561   1.919
    6   2HB   MET   1          1HB       MET   1  -3.713   5.255   0.741
    7   1HG   MET   1          2HG       MET   1  -1.625   5.913  -0.131
    8   2HG   MET   1          1HG       MET   1  -1.676   7.459   0.714
    9   1HE   MET   1          1HE       MET   1  -0.293   7.923   2.404
   10   2HE   MET   1          2HE       MET   1   0.219   6.912   3.756
   11   3HE   MET   1          3HE       MET   1  -1.448   7.484   3.663
   12    H    TYR   2           H        TYR   2  -4.177   7.239  -2.599
   13    HA   TYR   2           HA       TYR   2  -6.494   5.544  -2.988
   14   1HB   TYR   2          2HB       TYR   2  -4.936   7.432  -4.613
   15   2HB   TYR   2          1HB       TYR   2  -5.495   6.017  -5.497
   16    HD1  TYR   2           1HD      TYR   2  -6.969   8.255  -2.882
   17    HD2  TYR   2           2HD      TYR   2  -7.412   6.429  -6.699
   18    HE1  TYR   2           1HE      TYR   2  -9.190   9.285  -3.109
   19    HE2  TYR   2           2HE      TYR   2  -9.635   7.456  -6.938
   20    HH   TYR   2           HH       TYR   2 -10.690   9.893  -5.528
   21    H    LYS   3           H        LYS   3  -6.502   3.496  -3.780
   22    HA   LYS   3           HA       LYS   3  -4.277   1.852  -3.375
   23   1HB   LYS   3          2HB       LYS   3  -6.862   1.336  -3.643
   24   2HB   LYS   3          1HB       LYS   3  -6.394   1.024  -5.308
   25   1HG   LYS   3          2HG       LYS   3  -4.573  -0.275  -3.505
   26   2HG   LYS   3          1HG       LYS   3  -6.239  -0.723  -3.134
   27   1HD   LYS   3          2HD       LYS   3  -5.262  -0.748  -5.962
   28   2HD   LYS   3          1HD       LYS   3  -4.907  -2.100  -4.886
   29   1HE   LYS   3          2HE       LYS   3  -7.031  -2.839  -4.910
   30   2HE   LYS   3          1HE       LYS   3  -7.702  -1.211  -4.858
   31   1HZ   LYS   3          1HZ       LYS   3  -8.144  -2.498  -6.943
   32   2HZ   LYS   3          2HZ       LYS   3  -6.495  -2.374  -7.300
   33   3HZ   LYS   3          3HZ       LYS   3  -7.440  -0.976  -7.177
   34    H    LYS   4           H        LYS   4  -5.381   3.576  -6.206
   35    HA   LYS   4           HA       LYS   4  -3.909   2.225  -8.170
   36   1HB   LYS   4          2HB       LYS   4  -5.701   3.876  -8.635
   37   2HB   LYS   4          1HB       LYS   4  -4.628   5.161  -8.096
   38   1HG   LYS   4          2HG       LYS   4  -3.286   3.610 -10.077
   39   2HG   LYS   4          1HG       LYS   4  -4.882   4.060 -10.678
   40   1HD   LYS   4          2HD       LYS   4  -3.491   6.243  -9.323
   41   2HD   LYS   4          1HD       LYS   4  -2.639   5.643 -10.747
   42   1HE   LYS   4          2HE       LYS   4  -4.263   7.517 -11.168
   43   2HE   LYS   4          1HE       LYS   4  -4.500   6.072 -12.151
   44   1HZ   LYS   4          1HZ       LYS   4  -6.525   5.789 -11.316
   45   2HZ   LYS   4          2HZ       LYS   4  -6.395   7.328 -10.632
   46   3HZ   LYS   4          3HZ       LYS   4  -5.993   5.963  -9.719
   47    H    ASP   5           H        ASP   5  -2.993   4.669  -5.848
   48    HA   ASP   5           HA       ASP   5  -0.444   5.210  -7.070
   49   1HB   ASP   5          2HB       ASP   5  -1.400   5.898  -4.282
   50   2HB   ASP   5          1HB       ASP   5  -0.022   6.601  -5.120
   51    H    VAL   6           H        VAL   6  -1.577   3.405  -4.227
   52    HA   VAL   6           HA       VAL   6   0.870   2.607  -3.211
   53    HB   VAL   6           HB       VAL   6  -1.521   0.791  -3.187
   54   1HG1  VAL   6          1HG1      VAL   6  -0.734   0.253  -0.975
   55   2HG1  VAL   6          2HG1      VAL   6   0.505   1.502  -1.087
   56   3HG1  VAL   6          3HG1      VAL   6   0.586   0.086  -2.131
   57   1HG2  VAL   6          1HG2      VAL   6  -2.137   2.174  -1.075
   58   2HG2  VAL   6          2HG2      VAL   6  -2.634   2.754  -2.664
   59   3HG2  VAL   6          3HG2      VAL   6  -1.228   3.460  -1.869
   60    H    ILE   7           H        ILE   7  -1.241   0.889  -5.510
   61    HA   ILE   7           HA       ILE   7   0.399  -1.337  -5.907
   62    HB   ILE   7           HB       ILE   7  -1.594  -0.040  -7.767
   63   1HG1  ILE   7          2HG1      ILE   7  -1.760  -2.449  -5.943
   64   2HG1  ILE   7          1HG1      ILE   7  -2.550  -0.896  -5.689
   65   1HG2  ILE   7          1HG2      ILE   7  -1.590  -2.182  -8.995
   66   2HG2  ILE   7          2HG2      ILE   7  -0.215  -2.708  -8.022
   67   3HG2  ILE   7          3HG2      ILE   7  -0.051  -1.325  -9.105
   68   1HD1  ILE   7          1HD1      ILE   7  -3.096  -2.600  -8.096
   69   2HD1  ILE   7          2HD1      ILE   7  -4.043  -1.252  -7.466
   70   3HD1  ILE   7          3HD1      ILE   7  -3.981  -2.776  -6.581
   71    H    ASP   8           H        ASP   8   0.560   1.880  -7.237
   72    HA   ASP   8           HA       ASP   8   2.368   1.213  -9.357
   73   1HB   ASP   8          2HB       ASP   8   0.808   3.442  -8.668
   74   2HB   ASP   8          1HB       ASP   8   2.476   3.996  -8.561
   75    H    HIS   9           H        HIS   9   2.622   2.049  -6.010
   76    HA   HIS   9           HA       HIS   9   5.432   2.693  -6.163
   77   1HB   HIS   9          2HB       HIS   9   4.171   3.905  -4.527
   78   2HB   HIS   9          1HB       HIS   9   3.504   2.422  -3.856
   79    HD1  HIS   9           1HD      HIS   9   6.194   4.812  -3.401
   80    HD2  HIS   9           2HD      HIS   9   5.555   0.807  -2.496
   81    HE1  HIS   9           1HE      HIS   9   7.908   4.236  -1.655
   82    HE2  HIS   9           2HE      HIS   9   7.577   1.778  -1.209
   83    H    PHE  10           H        PHE  10   3.403  -0.029  -5.389
   84    HA   PHE  10           HA       PHE  10   5.670  -1.597  -4.428
   85   1HB   PHE  10          2HB       PHE  10   2.698  -1.978  -4.434
   86   2HB   PHE  10          1HB       PHE  10   3.765  -3.358  -4.200
   87    HD1  PHE  10           1HD      PHE  10   2.441  -0.305  -2.748
   88    HD2  PHE  10           2HD      PHE  10   5.198  -3.498  -2.241
   89    HE1  PHE  10           1HE      PHE  10   2.658   0.272  -0.365
   90    HE2  PHE  10           2HE      PHE  10   5.422  -2.935   0.147
   91    HZ   PHE  10           HZ       PHE  10   4.150  -1.046   1.087
   92    H    GLY  11           H        GLY  11   3.570  -1.280  -7.201
   93   1HA   GLY  11          2HA       GLY  11   4.054  -2.031  -9.366
   94   2HA   GLY  11          1HA       GLY  11   5.308  -3.069  -8.701
   95    H    THR  12           H        THR  12   4.077  -4.630  -6.932
   96    HA   THR  12           HA       THR  12   1.871  -5.901  -8.412
   97    HB   THR  12           HB       THR  12   2.816  -8.094  -7.521
   98    HG1  THR  12           1HG      THR  12   5.074  -6.429  -7.104
   99   1HG2  THR  12          1HG2      THR  12   3.329  -6.831  -9.870
  100   2HG2  THR  12          2HG2      THR  12   3.835  -8.472  -9.466
  101   3HG2  THR  12          3HG2      THR  12   4.955  -7.126  -9.255
  102    H    GLN  13           H        GLN  13   0.133  -6.506  -7.231
  103    HA   GLN  13           HA       GLN  13  -0.419  -5.409  -4.772
  104   1HB   GLN  13          2HB       GLN  13  -2.245  -7.120  -4.608
  105   2HB   GLN  13          1HB       GLN  13  -2.206  -6.232  -6.123
  106   1HG   GLN  13          2HG       GLN  13  -0.973  -8.157  -7.127
  107   2HG   GLN  13          1HG       GLN  13  -1.266  -9.043  -5.632
  108   1HE2  GLN  13          1HE2      GLN  13  -3.626  -9.046  -4.951
  109   2HE2  GLN  13          2HE2      GLN  13  -4.782  -9.342  -6.200
  110    H    ARG  14           H        ARG  14   0.688  -8.728  -5.425
  111    HA   ARG  14           HA       ARG  14   0.662  -9.791  -2.902
  112   1HB   ARG  14          2HB       ARG  14   2.304 -10.227  -5.326
  113   2HB   ARG  14          1HB       ARG  14   2.957 -10.871  -3.827
  114   1HG   ARG  14          2HG       ARG  14   0.839 -12.088  -3.465
  115   2HG   ARG  14          1HG       ARG  14   0.271 -11.501  -5.030
  116   1HD   ARG  14          2HD       ARG  14   1.155 -13.401  -5.830
  117   2HD   ARG  14          1HD       ARG  14   2.694 -12.552  -5.689
  118    HE   ARG  14           HE       ARG  14   1.911 -13.929  -3.292
  119   1HH1  ARG  14          1HH1      ARG  14   3.531 -14.236  -6.367
  120   2HH1  ARG  14          2HH1      ARG  14   4.497 -15.583  -5.865
  121   1HH2  ARG  14          1HH2      ARG  14   3.180 -15.700  -2.630
  122   2HH2  ARG  14          2HH2      ARG  14   4.298 -16.415  -3.743
  123    H    ALA  15           H        ALA  15   2.907  -7.455  -4.221
  124    HA   ALA  15           HA       ALA  15   4.902  -7.655  -2.233
  125   1HB   ALA  15          1HB       ALA  15   4.658  -6.295  -4.580
  126   2HB   ALA  15          2HB       ALA  15   5.939  -6.041  -3.394
  127   3HB   ALA  15          3HB       ALA  15   4.520  -4.994  -3.397
  128    H    VAL  16           H        VAL  16   2.173  -5.395  -2.589
  129    HA   VAL  16           HA       VAL  16   2.581  -3.898  -0.294
  130    HB   VAL  16           HB       VAL  16  -0.238  -4.513  -1.000
  131   1HG1  VAL  16          1HG1      VAL  16  -0.089  -2.780   0.492
  132   2HG1  VAL  16          2HG1      VAL  16  -0.123  -1.905  -1.038
  133   3HG1  VAL  16          3HG1      VAL  16   1.409  -2.170  -0.208
  134   1HG2  VAL  16          1HG2      VAL  16   1.741  -3.334  -2.920
  135   2HG2  VAL  16          2HG2      VAL  16   0.048  -2.840  -2.949
  136   3HG2  VAL  16          3HG2      VAL  16   0.479  -4.529  -3.217
  137    H    ALA  17           H        ALA  17   0.691  -6.871  -0.719
  138    HA   ALA  17           HA       ALA  17  -0.307  -7.057   1.889
  139   1HB   ALA  17          1HB       ALA  17   0.348  -9.599   0.556
  140   2HB   ALA  17          2HB       ALA  17  -0.662  -8.488  -0.367
  141   3HB   ALA  17          3HB       ALA  17  -1.178  -9.028   1.230
  142    H    LYS  18           H        LYS  18   2.786  -7.979   0.525
  143    HA   LYS  18           HA       LYS  18   3.645  -9.485   2.802
  144   1HB   LYS  18          2HB       LYS  18   4.508  -9.281   0.220
  145   2HB   LYS  18          1HB       LYS  18   5.723  -8.331   1.064
  146   1HG   LYS  18          2HG       LYS  18   5.062 -10.941   2.263
  147   2HG   LYS  18          1HG       LYS  18   5.888 -10.982   0.704
  148   1HD   LYS  18          2HD       LYS  18   7.679  -9.606   1.579
  149   2HD   LYS  18          1HD       LYS  18   6.831  -9.433   3.117
  150   1HE   LYS  18          2HE       LYS  18   8.551 -11.094   3.362
  151   2HE   LYS  18          1HE       LYS  18   6.977 -11.888   3.421
  152   1HZ   LYS  18          1HZ       LYS  18   7.307 -12.363   0.991
  153   2HZ   LYS  18          2HZ       LYS  18   8.340 -13.196   2.039
  154   3HZ   LYS  18          3HZ       LYS  18   8.912 -11.859   1.176
  155    H    ALA  19           H        ALA  19   3.797  -6.143   1.819
  156    HA   ALA  19           HA       ALA  19   5.821  -5.329   3.644
  157   1HB   ALA  19          1HB       ALA  19   3.911  -3.999   1.833
  158   2HB   ALA  19          2HB       ALA  19   5.636  -3.722   2.069
  159   3HB   ALA  19          3HB       ALA  19   4.471  -3.045   3.207
  160    H    LEU  20           H        LEU  20   2.268  -5.114   3.725
  161    HA   LEU  20           HA       LEU  20   2.269  -4.104   6.423
  162   1HB   LEU  20          2HB       LEU  20  -0.085  -5.180   4.880
  163   2HB   LEU  20          1HB       LEU  20  -0.114  -4.076   6.243
  164    HG   LEU  20           HG       LEU  20   1.225  -3.285   3.678
  165   1HD1  LEU  20          1HD1      LEU  20  -0.741  -2.554   2.710
  166   2HD1  LEU  20          2HD1      LEU  20  -1.634  -2.615   4.229
  167   3HD1  LEU  20          3HD1      LEU  20  -1.212  -4.110   3.393
  168   1HD2  LEU  20          1HD2      LEU  20   1.278  -1.212   4.563
  169   2HD2  LEU  20          2HD2      LEU  20   1.152  -2.083   6.091
  170   3HD2  LEU  20          3HD2      LEU  20  -0.290  -1.390   5.350
  171    H    GLY  21           H        GLY  21   1.820  -7.195   4.836
  172   1HA   GLY  21          2HA       GLY  21   2.393  -9.213   6.029
  173   2HA   GLY  21          1HA       GLY  21   1.781  -8.463   7.495
  174    H    ILE  22           H        ILE  22   0.048  -8.224   4.482
  175    HA   ILE  22           HA       ILE  22  -1.989 -10.054   5.572
  176    HB   ILE  22           HB       ILE  22  -3.646  -8.771   4.242
  177   1HG1  ILE  22          2HG1      ILE  22  -1.342  -6.850   3.829
  178   2HG1  ILE  22          1HG1      ILE  22  -2.078  -7.846   2.577
  179   1HG2  ILE  22          1HG2      ILE  22  -3.175  -6.554   5.700
  180   2HG2  ILE  22          2HG2      ILE  22  -2.122  -7.703   6.526
  181   3HG2  ILE  22          3HG2      ILE  22  -3.845  -8.042   6.368
  182   1HD1  ILE  22          1HD1      ILE  22  -4.230  -6.511   3.599
  183   2HD1  ILE  22          2HD1      ILE  22  -3.325  -6.051   2.157
  184   3HD1  ILE  22          3HD1      ILE  22  -2.946  -5.308   3.711
  185    H    SER  23           H        SER  23  -3.559 -10.655   3.594
  186    HA   SER  23           HA       SER  23  -1.858 -12.126   1.755
  187   1HB   SER  23          2HB       SER  23  -4.861 -12.196   2.144
  188   2HB   SER  23          1HB       SER  23  -3.937 -13.291   1.116
  189    HG   SER  23           HG       SER  23  -2.744 -13.783   3.140
  190    H    ASP  24           H        ASP  24  -2.466 -12.251  -0.561
  191    HA   ASP  24           HA       ASP  24  -2.442  -9.699  -1.743
  192   1HB   ASP  24          2HB       ASP  24  -2.687 -10.913  -3.885
  193   2HB   ASP  24          1HB       ASP  24  -1.450 -11.624  -2.853
  194    H    ALA  25           H        ALA  25  -5.033 -11.935  -1.023
  195    HA   ALA  25           HA       ALA  25  -7.040 -10.870  -2.656
  196   1HB   ALA  25          1HB       ALA  25  -8.619 -11.924  -1.100
  197   2HB   ALA  25          2HB       ALA  25  -7.303 -12.189   0.045
  198   3HB   ALA  25          3HB       ALA  25  -7.289 -13.004  -1.520
  199    H    ALA  26           H        ALA  26  -6.051 -10.013   0.638
  200    HA   ALA  26           HA       ALA  26  -8.061  -8.155   1.191
  201   1HB   ALA  26          1HB       ALA  26  -5.363  -8.726   2.250
  202   2HB   ALA  26          2HB       ALA  26  -6.909  -8.585   3.089
  203   3HB   ALA  26          3HB       ALA  26  -6.031  -7.133   2.607
  204    H    VAL  27           H        VAL  27  -4.982  -7.786  -0.490
  205    HA   VAL  27           HA       VAL  27  -5.000  -4.976  -0.681
  206    HB   VAL  27           HB       VAL  27  -3.769  -6.897  -2.660
  207   1HG1  VAL  27          1HG1      VAL  27  -2.147  -5.047  -2.982
  208   2HG1  VAL  27          2HG1      VAL  27  -3.149  -4.035  -1.941
  209   3HG1  VAL  27          3HG1      VAL  27  -3.790  -4.632  -3.471
  210   1HG2  VAL  27          1HG2      VAL  27  -1.707  -6.619  -1.263
  211   2HG2  VAL  27          2HG2      VAL  27  -2.997  -7.545  -0.497
  212   3HG2  VAL  27          3HG2      VAL  27  -2.720  -5.868  -0.030
  213    H    SER  28           H        SER  28  -6.000  -7.457  -3.037
  214    HA   SER  28           HA       SER  28  -6.938  -5.648  -4.978
  215   1HB   SER  28          2HB       SER  28  -8.410  -7.831  -5.529
  216   2HB   SER  28          1HB       SER  28  -6.697  -7.709  -5.935
  217    HG   SER  28           HG       SER  28  -7.571  -9.627  -4.664
  218    H    GLN  29           H        GLN  29  -8.447  -7.087  -2.164
  219    HA   GLN  29           HA       GLN  29 -11.120  -6.457  -2.780
  220   1HB   GLN  29          2HB       GLN  29  -9.880  -7.832  -0.781
  221   2HB   GLN  29          1HB       GLN  29 -10.380  -6.376   0.069
  222   1HG   GLN  29          2HG       GLN  29 -12.350  -7.342   0.335
  223   2HG   GLN  29          1HG       GLN  29 -12.610  -7.096  -1.392
  224   1HE2  GLN  29          1HE2      GLN  29 -13.110  -9.282   0.795
  225   2HE2  GLN  29          2HE2      GLN  29 -12.750 -10.740  -0.055
  226    H    TRP  30           H        TRP  30  -8.488  -4.501  -1.740
  227    HA   TRP  30           HA       TRP  30  -9.734  -2.458  -0.346
  228   1HB   TRP  30          2HB       TRP  30  -7.396  -2.395  -2.253
  229   2HB   TRP  30          1HB       TRP  30  -7.901  -0.991  -1.319
  230    HD1  TRP  30           HD       TRP  30  -8.547  -3.380   1.148
  231    HE1  TRP  30           1HE      TRP  30  -6.521  -3.886   2.654
  232    HE3  TRP  30           3HE      TRP  30  -4.836  -1.486  -1.815
  233    HZ2  TRP  30           2HZ      TRP  30  -3.720  -3.531   2.593
  234    HZ3  TRP  30           3HZ      TRP  30  -2.512  -1.607  -1.019
  235    HH2  TRP  30           HH       TRP  30  -1.967  -2.609   1.140
  236    H    LYS  31           H        LYS  31 -10.130  -0.209  -1.148
  237    HA   LYS  31           HA       LYS  31 -11.480  -0.260  -3.766
  238   1HB   LYS  31          2HB       LYS  31 -12.350   1.454  -1.445
  239   2HB   LYS  31          1HB       LYS  31 -13.240   1.072  -2.910
  240   1HG   LYS  31          2HG       LYS  31 -13.730  -1.098  -2.188
  241   2HG   LYS  31          1HG       LYS  31 -12.480  -1.053  -0.939
  242   1HD   LYS  31          2HD       LYS  31 -14.070   1.055  -0.231
  243   2HD   LYS  31          1HD       LYS  31 -15.250  -0.087  -0.880
  244   1HE   LYS  31          2HE       LYS  31 -13.350  -1.440   0.810
  245   2HE   LYS  31          1HE       LYS  31 -14.090  -0.091   1.669
  246   1HZ   LYS  31          1HZ       LYS  31 -15.360  -2.127   1.944
  247   2HZ   LYS  31          2HZ       LYS  31 -15.560  -2.260   0.270
  248   3HZ   LYS  31          3HZ       LYS  31 -16.270  -0.969   1.106
  249    H    GLU  32           H        GLU  32 -12.150   2.463  -3.846
  250    HA   GLU  32           HA       GLU  32  -9.961   3.621  -5.034
  251   1HB   GLU  32          2HB       GLU  32 -12.560   4.532  -4.084
  252   2HB   GLU  32          1HB       GLU  32 -11.340   5.796  -3.994
  253   1HG   GLU  32          2HG       GLU  32 -10.790   5.268  -6.397
  254   2HG   GLU  32          1HG       GLU  32 -12.240   4.268  -6.416
  255    H    VAL  33           H        VAL  33 -10.730   3.443  -1.649
  256    HA   VAL  33           HA       VAL  33  -8.213   4.841  -1.045
  257    HB   VAL  33           HB       VAL  33 -10.690   5.025   0.665
  258   1HG1  VAL  33          1HG1      VAL  33  -8.128   5.355   1.422
  259   2HG1  VAL  33          2HG1      VAL  33  -9.484   6.221   2.144
  260   3HG1  VAL  33          3HG1      VAL  33  -8.513   6.991   0.887
  261   1HG2  VAL  33          1HG2      VAL  33 -11.280   6.257  -1.229
  262   2HG2  VAL  33          2HG2      VAL  33  -9.639   6.852  -1.466
  263   3HG2  VAL  33          3HG2      VAL  33 -10.610   7.466  -0.132
  264    H    ILE  34           H        ILE  34  -6.845   3.456  -0.146
  265    HA   ILE  34           HA       ILE  34  -7.475   0.901   0.759
  266    HB   ILE  34           HB       ILE  34  -5.227   1.043   1.978
  267   1HG1  ILE  34          2HG1      ILE  34  -4.953   3.602   0.400
  268   2HG1  ILE  34          1HG1      ILE  34  -5.364   3.588   2.112
  269   1HG2  ILE  34          1HG2      ILE  34  -4.079   0.584   0.014
  270   2HG2  ILE  34          2HG2      ILE  34  -5.006   1.758  -0.920
  271   3HG2  ILE  34          3HG2      ILE  34  -5.755   0.243  -0.413
  272   1HD1  ILE  34          1HD1      ILE  34  -3.067   3.919   2.078
  273   2HD1  ILE  34          2HD1      ILE  34  -2.820   2.747   0.784
  274   3HD1  ILE  34          3HD1      ILE  34  -3.236   2.195   2.406
  275    HA   PRO  35           HA       PRO  35  -9.148   1.065   4.818
  276   1HB   PRO  35          2HB       PRO  35  -6.845  -0.632   5.669
  277   2HB   PRO  35          1HB       PRO  35  -8.576  -0.876   5.922
  278   1HG   PRO  35          2HG       PRO  35  -7.276  -2.281   4.079
  279   2HG   PRO  35          1HG       PRO  35  -8.913  -1.677   3.769
  280   1HD   PRO  35          2HD       PRO  35  -6.298  -0.677   2.744
  281   2HD   PRO  35          1HD       PRO  35  -7.879  -0.728   1.942
  282    H    GLU  36           H        GLU  36  -8.776   1.875   6.951
  283    HA   GLU  36           HA       GLU  36  -6.963   4.048   7.047
  284   1HB   GLU  36          2HB       GLU  36  -9.102   4.091   8.227
  285   2HB   GLU  36          1HB       GLU  36  -8.582   2.761   9.251
  286   1HG   GLU  36          2HG       GLU  36  -6.591   4.558   9.667
  287   2HG   GLU  36          1HG       GLU  36  -7.976   5.619   9.415
  288    H    LYS  37           H        LYS  37  -6.882   0.780   8.339
  289    HA   LYS  37           HA       LYS  37  -4.488   1.277   9.878
  290   1HB   LYS  37          2HB       LYS  37  -6.438  -0.885   9.606
  291   2HB   LYS  37          1HB       LYS  37  -4.785  -1.466   9.748
  292   1HG   LYS  37          2HG       LYS  37  -5.867   0.566  11.659
  293   2HG   LYS  37          1HG       LYS  37  -6.177  -1.157  11.884
  294   1HD   LYS  37          2HD       LYS  37  -3.394  -0.118  11.462
  295   2HD   LYS  37          1HD       LYS  37  -4.138  -0.117  13.063
  296   1HE   LYS  37          2HE       LYS  37  -3.079  -2.151  13.090
  297   2HE   LYS  37          1HE       LYS  37  -4.664  -2.617  12.477
  298   1HZ   LYS  37          1HZ       LYS  37  -3.839  -3.098  10.452
  299   2HZ   LYS  37          2HZ       LYS  37  -2.390  -3.301  11.301
  300   3HZ   LYS  37          3HZ       LYS  37  -2.693  -1.853  10.481
  301    H    ASP  38           H        ASP  38  -5.277   0.199   6.690
  302    HA   ASP  38           HA       ASP  38  -2.744  -1.093   6.222
  303   1HB   ASP  38          2HB       ASP  38  -4.893  -0.224   4.273
  304   2HB   ASP  38          1HB       ASP  38  -3.509  -1.239   3.880
  305    H    ALA  39           H        ALA  39  -4.249   2.005   5.429
  306    HA   ALA  39           HA       ALA  39  -2.141   3.018   3.850
  307   1HB   ALA  39          1HB       ALA  39  -4.276   4.065   3.712
  308   2HB   ALA  39          2HB       ALA  39  -3.159   5.251   4.386
  309   3HB   ALA  39          3HB       ALA  39  -4.291   4.405   5.442
  310    H    TYR  40           H        TYR  40  -2.608   2.754   7.284
  311    HA   TYR  40           HA       TYR  40  -0.751   4.719   8.112
  312   1HB   TYR  40          2HB       TYR  40  -2.440   3.791   9.624
  313   2HB   TYR  40          1HB       TYR  40  -1.668   2.206   9.527
  314    HD1  TYR  40           1HD      TYR  40   0.066   1.638  10.995
  315    HD2  TYR  40           2HD      TYR  40  -1.099   5.712  10.623
  316    HE1  TYR  40           1HE      TYR  40   1.501   2.218  12.908
  317    HE2  TYR  40           2HE      TYR  40   0.332   6.303  12.532
  318    HH   TYR  40           HH       TYR  40   1.362   5.282  14.447
  319    H    ARG  41           H        ARG  41  -0.360   1.185   8.372
  320    HA   ARG  41           HA       ARG  41   2.393   1.210   8.765
  321   1HB   ARG  41          2HB       ARG  41   0.520  -0.881   7.685
  322   2HB   ARG  41          1HB       ARG  41   2.244  -1.189   7.833
  323   1HG   ARG  41          2HG       ARG  41   1.885  -1.811   9.926
  324   2HG   ARG  41          1HG       ARG  41   1.473  -0.137  10.302
  325   1HD   ARG  41          2HD       ARG  41  -0.854  -0.966   9.234
  326   2HD   ARG  41          1HD       ARG  41  -0.273  -2.486   9.911
  327    HE   ARG  41           HE       ARG  41  -1.223  -0.194  11.357
  328   1HH1  ARG  41          1HH1      ARG  41   0.812  -3.025  11.520
  329   2HH1  ARG  41          2HH1      ARG  41   0.724  -3.143  13.246
  330   1HH2  ARG  41          1HH2      ARG  41  -1.340  -0.349  13.627
  331   2HH2  ARG  41          2HH2      ARG  41  -0.499  -1.624  14.442
  332    H    LEU  42           H        LEU  42   0.547   1.443   5.822
  333    HA   LEU  42           HA       LEU  42   2.485   0.701   3.956
  334   1HB   LEU  42          2HB       LEU  42   0.028   2.356   3.918
  335   2HB   LEU  42          1HB       LEU  42   1.147   2.583   2.586
  336    HG   LEU  42           HG       LEU  42  -0.010  -0.087   3.387
  337   1HD1  LEU  42          1HD1      LEU  42  -1.062   2.084   1.717
  338   2HD1  LEU  42          2HD1      LEU  42  -1.896   0.741   2.499
  339   3HD1  LEU  42          3HD1      LEU  42  -1.073   0.490   0.960
  340   1HD2  LEU  42          1HD2      LEU  42   1.988   0.809   1.427
  341   2HD2  LEU  42          2HD2      LEU  42   0.760  -0.294   0.801
  342   3HD2  LEU  42          3HD2      LEU  42   1.758  -0.770   2.176
  343    H    GLU  43           H        GLU  43   2.015   3.698   5.710
  344    HA   GLU  43           HA       GLU  43   3.772   5.289   4.153
  345   1HB   GLU  43          2HB       GLU  43   2.081   6.272   5.625
  346   2HB   GLU  43          1HB       GLU  43   2.900   5.606   7.030
  347   1HG   GLU  43          2HG       GLU  43   4.902   6.972   6.391
  348   2HG   GLU  43          1HG       GLU  43   3.891   7.753   5.178
  349    H    ILE  44           H        ILE  44   4.309   2.882   6.554
  350    HA   ILE  44           HA       ILE  44   6.978   3.821   7.201
  351    HB   ILE  44           HB       ILE  44   5.692   1.223   8.020
  352   1HG1  ILE  44          2HG1      ILE  44   5.388   4.007   9.044
  353   2HG1  ILE  44          1HG1      ILE  44   4.211   2.701   8.981
  354   1HG2  ILE  44          1HG2      ILE  44   7.791   2.700   9.551
  355   2HG2  ILE  44          2HG2      ILE  44   8.250   1.695   8.177
  356   3HG2  ILE  44          3HG2      ILE  44   7.406   0.979   9.549
  357   1HD1  ILE  44          1HD1      ILE  44   6.477   2.962  10.940
  358   2HD1  ILE  44          2HD1      ILE  44   5.327   1.625  10.874
  359   3HD1  ILE  44          3HD1      ILE  44   4.767   3.251  11.265
  360    H    VAL  45           H        VAL  45   5.521   0.960   5.664
  361    HA   VAL  45           HA       VAL  45   7.894  -0.334   4.962
  362    HB   VAL  45           HB       VAL  45   6.469  -1.327   3.062
  363   1HG1  VAL  45          1HG1      VAL  45   4.910  -2.332   5.048
  364   2HG1  VAL  45          2HG1      VAL  45   6.252  -1.650   5.968
  365   3HG1  VAL  45          3HG1      VAL  45   6.563  -2.846   4.712
  366   1HG2  VAL  45          1HG2      VAL  45   4.870   0.635   3.100
  367   2HG2  VAL  45          2HG2      VAL  45   4.216  -0.046   4.590
  368   3HG2  VAL  45          3HG2      VAL  45   4.134  -0.968   3.089
  369    H    THR  46           H        THR  46   6.073   2.174   3.298
  370    HA   THR  46           HA       THR  46   7.700   2.083   0.939
  371    HB   THR  46           HB       THR  46   6.395   4.071   0.281
  372    HG1  THR  46           1HG      THR  46   5.049   3.778   2.748
  373   1HG2  THR  46          1HG2      THR  46   4.237   3.074   0.113
  374   2HG2  THR  46          2HG2      THR  46   4.588   1.979   1.450
  375   3HG2  THR  46          3HG2      THR  46   5.450   1.809  -0.078
  376    H    ALA  47           H        ALA  47   8.520   3.037   3.916
  377    HA   ALA  47           HA       ALA  47  10.200   4.326   4.747
  378   1HB   ALA  47          1HB       ALA  47  11.370   3.572   2.653
  379   2HB   ALA  47          2HB       ALA  47  11.927   5.108   3.315
  380   3HB   ALA  47          3HB       ALA  47  10.860   5.087   1.910
  381    H    GLY  48           H        GLY  48   7.540   5.367   4.389
  382   1HA   GLY  48          2HA       GLY  48   6.528   7.382   4.894
  383   2HA   GLY  48          1HA       GLY  48   8.111   8.140   4.859
  384    H    ALA  49           H        ALA  49   6.995   6.290   2.135
  385    HA   ALA  49           HA       ALA  49   7.410   8.365   0.301
  386   1HB   ALA  49          1HB       ALA  49   5.686   5.911  -0.028
  387   2HB   ALA  49          2HB       ALA  49   7.424   5.995  -0.320
  388   3HB   ALA  49          3HB       ALA  49   6.314   6.922  -1.329
  389    H    LEU  50           H        LEU  50   4.280   6.929   1.244
  390    HA   LEU  50           HA       LEU  50   2.939   9.378   0.378
  391   1HB   LEU  50          2HB       LEU  50   1.621   6.857   1.362
  392   2HB   LEU  50          1HB       LEU  50   0.916   8.136   0.392
  393    HG   LEU  50           HG       LEU  50   3.218   6.694  -0.794
  394   1HD1  LEU  50          1HD1      LEU  50   1.468   4.987  -1.643
  395   2HD1  LEU  50          2HD1      LEU  50   0.581   5.425  -0.183
  396   3HD1  LEU  50          3HD1      LEU  50   2.205   4.747  -0.059
  397   1HD2  LEU  50          1HD2      LEU  50   0.616   7.849  -1.758
  398   2HD2  LEU  50          2HD2      LEU  50   1.663   6.871  -2.788
  399   3HD2  LEU  50          3HD2      LEU  50   2.256   8.390  -2.116
  400    H    LYS  51           H        LYS  51   2.330  10.882   1.786
  401    HA   LYS  51           HA       LYS  51   2.659  10.442   4.613
  402   1HB   LYS  51          2HB       LYS  51   2.122  12.801   4.850
  403   2HB   LYS  51          1HB       LYS  51   3.300  12.576   3.564
  404   1HG   LYS  51          2HG       LYS  51   1.422  12.701   1.925
  405   2HG   LYS  51          1HG       LYS  51   0.359  13.133   3.267
  406   1HD   LYS  51          2HD       LYS  51   2.419  14.884   3.612
  407   2HD   LYS  51          1HD       LYS  51   2.371  14.737   1.855
  408   1HE   LYS  51          2HE       LYS  51   0.641  16.127   1.805
  409   2HE   LYS  51          1HE       LYS  51  -0.300  14.967   2.740
  410   1HZ   LYS  51          1HZ       LYS  51   1.560  16.636   4.233
  411   2HZ   LYS  51          2HZ       LYS  51   0.002  16.121   4.640
  412   3HZ   LYS  51          3HZ       LYS  51   0.211  17.421   3.579
  413    H    TYR  52           H        TYR  52   1.153   9.638   5.899
  414    HA   TYR  52           HA       TYR  52  -1.510   9.163   5.052
  415   1HB   TYR  52          2HB       TYR  52  -0.145   7.848   6.774
  416   2HB   TYR  52          1HB       TYR  52  -0.570   9.117   7.917
  417    HD1  TYR  52           1HD      TYR  52  -1.463   5.966   6.766
  418    HD2  TYR  52           2HD      TYR  52  -3.212   9.669   7.918
  419    HE1  TYR  52           1HE      TYR  52  -3.581   4.813   7.244
  420    HE2  TYR  52           2HE      TYR  52  -5.332   8.525   8.399
  421    HH   TYR  52           HH       TYR  52  -6.283   5.879   7.311
  422    H    GLN  53           H        GLN  53  -3.339  10.291   5.340
  423    HA   GLN  53           HA       GLN  53  -3.288  12.641   7.102
  424   1HB   GLN  53          2HB       GLN  53  -4.738  13.767   5.292
  425   2HB   GLN  53          1HB       GLN  53  -3.002  13.681   5.027
  426   1HG   GLN  53          2HG       GLN  53  -3.216  12.377   3.226
  427   2HG   GLN  53          1HG       GLN  53  -4.484  11.398   3.962
  428   1HE2  GLN  53          1HE2      GLN  53  -4.410  14.880   3.403
  429   2HE2  GLN  53          2HE2      GLN  53  -5.775  14.922   2.346
  430    H    GLU  54           H        GLU  54  -5.199  13.087   8.155
  431    HA   GLU  54           HA       GLU  54  -7.133  10.927   8.186
  432   1HB   GLU  54          2HB       GLU  54  -6.453  13.216   9.950
  433   2HB   GLU  54          1HB       GLU  54  -8.115  12.646   9.998
  434   1HG   GLU  54          2HG       GLU  54  -6.764  10.307  10.175
  435   2HG   GLU  54          1HG       GLU  54  -5.659  11.403  11.003
  436    H    ASN  55           H        ASN  55  -7.264  12.214   5.763
  437    HA   ASN  55           HA       ASN  55  -9.466  14.106   5.876
  438   1HB   ASN  55          2HB       ASN  55  -7.527  13.226   3.802
  439   2HB   ASN  55          1HB       ASN  55  -9.099  13.785   3.243
  440   1HD2  ASN  55          1HD2      ASN  55  -9.022  15.813   2.637
  441   2HD2  ASN  55          2HD2      ASN  55  -8.126  17.077   3.402
  442    H    ALA  56           H        ALA  56  -8.811  11.121   4.036
  443    HA   ALA  56           HA       ALA  56 -11.650  10.685   3.664
  444   1HB   ALA  56          1HB       ALA  56 -10.440  10.152   1.751
  445   2HB   ALA  56          2HB       ALA  56 -10.750   8.577   2.480
  446   3HB   ALA  56          3HB       ALA  56  -9.172   9.337   2.660
  447    H    TYR  57           H        TYR  57  -9.460   9.968   6.085
  448    HA   TYR  57           HA       TYR  57 -10.870   7.504   6.845
  449   1HB   TYR  57          2HB       TYR  57  -8.326   8.541   8.085
  450   2HB   TYR  57          1HB       TYR  57  -8.991   6.913   8.168
  451    HD1  TYR  57           1HD      TYR  57  -9.400   5.902   5.657
  452    HD2  TYR  57           2HD      TYR  57  -6.458   8.769   6.769
  453    HE1  TYR  57           1HE      TYR  57  -8.037   5.245   3.720
  454    HE2  TYR  57           2HE      TYR  57  -5.087   8.119   4.833
  455    HH   TYR  57           HH       TYR  57  -6.285   6.053   2.337
  456    H    ARG  58           H        ARG  58 -11.970  10.182   7.178
  457    HA   ARG  58           HA       ARG  58 -12.250  10.163  10.109
  458   1HB   ARG  58          2HB       ARG  58 -10.900  12.125   9.009
  459   2HB   ARG  58          1HB       ARG  58 -12.500  12.718   8.562
  460   1HG   ARG  58          2HG       ARG  58 -11.630  12.086  11.375
  461   2HG   ARG  58          1HG       ARG  58 -11.640  13.697  10.655
  462   1HD   ARG  58          2HD       ARG  58 -14.080  13.389  10.216
  463   2HD   ARG  58          1HD       ARG  58 -14.000  11.906  11.164
  464    HE   ARG  58           HE       ARG  58 -13.990  14.606  12.157
  465   1HH1  ARG  58          1HH1      ARG  58 -13.110  11.299  12.843
  466   2HH1  ARG  58          2HH1      ARG  58 -13.120  11.521  14.560
  467   1HH2  ARG  58          1HH2      ARG  58 -14.010  14.899  14.415
  468   2HH2  ARG  58          2HH2      ARG  58 -13.630  13.564  15.454
  469    H    GLN  59           H        GLN  59 -14.190   9.167  10.252
  470    HA   GLN  59           HA       GLN  59 -16.470  10.569   9.038
  471   1HB   GLN  59          2HB       GLN  59 -15.800   7.656   8.857
  472   2HB   GLN  59          1HB       GLN  59 -17.490   8.157   8.883
  473   1HG   GLN  59          2HG       GLN  59 -16.620   9.805   6.991
  474   2HG   GLN  59          1HG       GLN  59 -15.430   8.520   6.792
  475   1HE2  GLN  59          1HE2      GLN  59 -16.030   6.617   5.883
  476   2HE2  GLN  59          2HE2      GLN  59 -17.600   6.304   5.250
  477    H    ALA  60           H        ALA  60 -16.670  11.521  11.148
  478    HA   ALA  60           HA       ALA  60 -18.340   9.924  12.889
  479   1HB   ALA  60          1HB       ALA  60 -17.050   9.951  14.806
  480   2HB   ALA  60          2HB       ALA  60 -16.020  11.259  14.221
  481   3HB   ALA  60          3HB       ALA  60 -15.850   9.637  13.553
  482    H    ALA  61           H        ALA  61 -19.520  11.767  11.657
  483    HA   ALA  61           HA       ALA  61 -19.740  14.014  13.530
  484   1HB   ALA  61          1HB       ALA  61 -19.490  14.254  10.538
  485   2HB   ALA  61          2HB       ALA  61 -18.420  14.927  11.766
  486   3HB   ALA  61          3HB       ALA  61 -20.060  15.556  11.583
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  -6.222   7.554   1.055
    2   2H    MET   1          2HT       MET   1  -5.875   8.862  -0.001
    3   3H    MET   1          3HT       MET   1  -4.897   8.589   1.383
    4    HA   MET   1           HA       MET   1  -3.971   7.884  -0.797
    5   1HB   MET   1          2HB       MET   1  -3.581   7.030   1.710
    6   2HB   MET   1          1HB       MET   1  -4.167   5.528   1.010
    7   1HG   MET   1          2HG       MET   1  -2.371   5.364  -0.455
    8   2HG   MET   1          1HG       MET   1  -1.961   7.071  -0.293
    9   1HE   MET   1          1HE       MET   1  -0.347   8.027   1.729
   10   2HE   MET   1          2HE       MET   1  -0.455   7.223   3.296
   11   3HE   MET   1          3HE       MET   1  -1.919   7.796   2.497
   12    H    TYR   2           H        TYR   2  -4.612   7.117  -2.685
   13    HA   TYR   2           HA       TYR   2  -6.877   5.295  -2.836
   14   1HB   TYR   2          2HB       TYR   2  -5.350   6.884  -4.893
   15   2HB   TYR   2          1HB       TYR   2  -6.552   5.680  -5.345
   16    HD1  TYR   2           1HD      TYR   2  -8.903   6.106  -5.053
   17    HD2  TYR   2           2HD      TYR   2  -6.021   8.941  -3.731
   18    HE1  TYR   2           1HE      TYR   2 -10.680   7.778  -4.779
   19    HE2  TYR   2           2HE      TYR   2  -7.794  10.623  -3.456
   20    HH   TYR   2           HH       TYR   2 -10.380  10.792  -4.735
   21    H    LYS   3           H        LYS   3  -6.815   3.264  -3.791
   22    HA   LYS   3           HA       LYS   3  -4.597   1.669  -3.313
   23   1HB   LYS   3          2HB       LYS   3  -6.928   0.853  -3.634
   24   2HB   LYS   3          1HB       LYS   3  -6.762   1.153  -5.358
   25   1HG   LYS   3          2HG       LYS   3  -5.024  -0.503  -5.528
   26   2HG   LYS   3          1HG       LYS   3  -5.032  -0.739  -3.779
   27   1HD   LYS   3          2HD       LYS   3  -6.404  -2.459  -4.297
   28   2HD   LYS   3          1HD       LYS   3  -7.629  -1.189  -4.321
   29   1HE   LYS   3          2HE       LYS   3  -6.072  -1.947  -6.774
   30   2HE   LYS   3          1HE       LYS   3  -7.549  -2.792  -6.309
   31   1HZ   LYS   3          1HZ       LYS   3  -7.228   0.042  -7.093
   32   2HZ   LYS   3          2HZ       LYS   3  -8.597  -0.497  -6.260
   33   3HZ   LYS   3          3HZ       LYS   3  -8.230  -1.134  -7.784
   34    H    LYS   4           H        LYS   4  -5.415   3.577  -6.111
   35    HA   LYS   4           HA       LYS   4  -3.721   2.380  -8.000
   36   1HB   LYS   4          2HB       LYS   4  -5.528   4.123  -8.405
   37   2HB   LYS   4          1HB       LYS   4  -4.363   5.324  -7.867
   38   1HG   LYS   4          2HG       LYS   4  -2.829   4.497  -9.675
   39   2HG   LYS   4          1HG       LYS   4  -4.182   3.538 -10.276
   40   1HD   LYS   4          2HD       LYS   4  -5.508   5.661 -10.414
   41   2HD   LYS   4          1HD       LYS   4  -4.024   6.539 -10.034
   42   1HE   LYS   4          2HE       LYS   4  -2.995   5.325 -12.026
   43   2HE   LYS   4          1HE       LYS   4  -4.644   4.874 -12.458
   44   1HZ   LYS   4          1HZ       LYS   4  -4.773   6.817 -13.490
   45   2HZ   LYS   4          2HZ       LYS   4  -3.300   7.346 -12.851
   46   3HZ   LYS   4          3HZ       LYS   4  -4.732   7.581 -11.980
   47    H    ASP   5           H        ASP   5  -3.142   4.904  -5.598
   48    HA   ASP   5           HA       ASP   5  -0.523   5.563  -6.435
   49   1HB   ASP   5          2HB       ASP   5  -2.093   5.968  -3.914
   50   2HB   ASP   5          1HB       ASP   5  -0.370   6.330  -3.932
   51    H    VAL   6           H        VAL   6  -1.651   3.497  -3.751
   52    HA   VAL   6           HA       VAL   6   0.796   2.623  -2.838
   53    HB   VAL   6           HB       VAL   6  -1.592   0.801  -2.957
   54   1HG1  VAL   6          1HG1      VAL   6   0.142  -0.292  -1.915
   55   2HG1  VAL   6          2HG1      VAL   6  -0.694   0.448  -0.549
   56   3HG1  VAL   6          3HG1      VAL   6   0.771   1.187  -1.191
   57   1HG2  VAL   6          1HG2      VAL   6  -1.264   3.333  -1.396
   58   2HG2  VAL   6          2HG2      VAL   6  -2.169   1.982  -0.714
   59   3HG2  VAL   6          3HG2      VAL   6  -2.687   2.711  -2.233
   60    H    ILE   7           H        ILE   7  -1.307   1.086  -5.265
   61    HA   ILE   7           HA       ILE   7   0.382  -1.072  -5.855
   62    HB   ILE   7           HB       ILE   7  -1.731   0.300  -7.514
   63   1HG1  ILE   7          2HG1      ILE   7  -1.670  -2.305  -5.975
   64   2HG1  ILE   7          1HG1      ILE   7  -2.554  -0.848  -5.529
   65   1HG2  ILE   7          1HG2      ILE   7  -1.655  -1.733  -8.956
   66   2HG2  ILE   7          2HG2      ILE   7  -0.159  -2.192  -8.144
   67   3HG2  ILE   7          3HG2      ILE   7  -0.230  -0.700  -9.082
   68   1HD1  ILE   7          1HD1      ILE   7  -3.883  -2.724  -6.578
   69   2HD1  ILE   7          2HD1      ILE   7  -3.074  -2.316  -8.092
   70   3HD1  ILE   7          3HD1      ILE   7  -4.088  -1.120  -7.284
   71    H    ASP   8           H        ASP   8   0.471   2.251  -6.849
   72    HA   ASP   8           HA       ASP   8   2.194   1.842  -9.104
   73   1HB   ASP   8          2HB       ASP   8   0.704   4.003  -8.007
   74   2HB   ASP   8          1HB       ASP   8   2.386   4.517  -8.090
   75    H    HIS   9           H        HIS   9   2.567   2.343  -5.692
   76    HA   HIS   9           HA       HIS   9   5.382   2.961  -5.894
   77   1HB   HIS   9          2HB       HIS   9   4.229   4.074  -4.125
   78   2HB   HIS   9          1HB       HIS   9   3.515   2.570  -3.556
   79    HD1  HIS   9           1HD      HIS   9   6.404   4.764  -3.093
   80    HD2  HIS   9           2HD      HIS   9   5.437   0.807  -2.272
   81    HE1  HIS   9           1HE      HIS   9   8.109   3.989  -1.416
   82    HE2  HIS   9           2HE      HIS   9   7.472   1.608  -0.893
   83    H    PHE  10           H        PHE  10   3.320   0.236  -5.166
   84    HA   PHE  10           HA       PHE  10   5.577  -1.439  -4.413
   85   1HB   PHE  10          2HB       PHE  10   2.600  -1.786  -4.416
   86   2HB   PHE  10          1HB       PHE  10   3.652  -3.195  -4.304
   87    HD1  PHE  10           1HD      PHE  10   5.150  -3.468  -2.381
   88    HD2  PHE  10           2HD      PHE  10   2.321  -0.297  -2.583
   89    HE1  PHE  10           1HE      PHE  10   5.395  -3.101   0.041
   90    HE2  PHE  10           2HE      PHE  10   2.560   0.078  -0.163
   91    HZ   PHE  10           HZ       PHE  10   4.099  -1.325   1.153
   92    H    GLY  11           H        GLY  11   3.257  -1.080  -7.046
   93   1HA   GLY  11          2HA       GLY  11   3.758  -1.598  -9.301
   94   2HA   GLY  11          1HA       GLY  11   5.029  -2.678  -8.744
   95    H    THR  12           H        THR  12   3.427  -4.070  -6.817
   96    HA   THR  12           HA       THR  12   1.287  -5.293  -8.371
   97    HB   THR  12           HB       THR  12   2.288  -7.583  -7.687
   98    HG1  THR  12           1HG      THR  12   4.613  -5.962  -7.630
   99   1HG2  THR  12          1HG2      THR  12   2.264  -7.362  -9.953
  100   2HG2  THR  12          2HG2      THR  12   4.003  -7.404  -9.659
  101   3HG2  THR  12          3HG2      THR  12   3.191  -5.862  -9.931
  102    H    GLN  13           H        GLN  13  -0.289  -6.267  -7.125
  103    HA   GLN  13           HA       GLN  13  -0.742  -5.325  -4.567
  104   1HB   GLN  13          2HB       GLN  13  -2.434  -7.163  -4.388
  105   2HB   GLN  13          1HB       GLN  13  -2.559  -6.202  -5.854
  106   1HG   GLN  13          2HG       GLN  13  -1.095  -8.060  -6.903
  107   2HG   GLN  13          1HG       GLN  13  -1.618  -9.013  -5.514
  108   1HE2  GLN  13          1HE2      GLN  13  -4.206  -7.997  -5.249
  109   2HE2  GLN  13          2HE2      GLN  13  -5.142  -8.516  -6.604
  110    H    ARG  14           H        ARG  14   0.527  -8.515  -5.509
  111    HA   ARG  14           HA       ARG  14   0.768  -9.718  -3.067
  112   1HB   ARG  14          2HB       ARG  14   2.814 -10.849  -4.088
  113   2HB   ARG  14          1HB       ARG  14   1.299 -11.004  -4.959
  114   1HG   ARG  14          2HG       ARG  14   2.509  -8.700  -5.976
  115   2HG   ARG  14          1HG       ARG  14   3.803  -9.888  -5.820
  116   1HD   ARG  14          2HD       ARG  14   2.394 -11.515  -7.049
  117   2HD   ARG  14          1HD       ARG  14   1.189 -10.247  -7.281
  118    HE   ARG  14           HE       ARG  14   2.458  -9.440  -8.991
  119   1HH1  ARG  14          1HH1      ARG  14   4.503 -11.388  -6.940
  120   2HH1  ARG  14          2HH1      ARG  14   5.881 -11.260  -7.982
  121   1HH2  ARG  14          1HH2      ARG  14   4.269  -9.271 -10.360
  122   2HH2  ARG  14          2HH2      ARG  14   5.748 -10.058  -9.922
  123    H    ALA  15           H        ALA  15   2.926  -7.322  -4.503
  124    HA   ALA  15           HA       ALA  15   5.018  -7.483  -2.651
  125   1HB   ALA  15          1HB       ALA  15   5.547  -5.157  -3.371
  126   2HB   ALA  15          2HB       ALA  15   4.040  -5.147  -4.287
  127   3HB   ALA  15          3HB       ALA  15   5.318  -6.287  -4.706
  128    H    VAL  16           H        VAL  16   2.141  -5.392  -2.669
  129    HA   VAL  16           HA       VAL  16   2.697  -3.968  -0.337
  130    HB   VAL  16           HB       VAL  16  -0.152  -4.613  -0.833
  131   1HG1  VAL  16          1HG1      VAL  16  -0.491  -2.510  -0.080
  132   2HG1  VAL  16          2HG1      VAL  16   0.944  -1.874  -0.886
  133   3HG1  VAL  16          3HG1      VAL  16   1.105  -2.772   0.623
  134   1HG2  VAL  16          1HG2      VAL  16   1.617  -3.360  -2.908
  135   2HG2  VAL  16          2HG2      VAL  16  -0.088  -2.921  -2.776
  136   3HG2  VAL  16          3HG2      VAL  16   0.371  -4.592  -3.108
  137    H    ALA  17           H        ALA  17   0.774  -6.929  -0.779
  138    HA   ALA  17           HA       ALA  17   0.017  -7.289   1.882
  139   1HB   ALA  17          1HB       ALA  17   0.209  -9.847   0.978
  140   2HB   ALA  17          2HB       ALA  17   0.122  -8.945  -0.535
  141   3HB   ALA  17          3HB       ALA  17  -1.153  -8.771   0.668
  142    H    LYS  18           H        LYS  18   2.951  -8.269   0.182
  143    HA   LYS  18           HA       LYS  18   4.006  -9.834   2.308
  144   1HB   LYS  18          2HB       LYS  18   4.826  -9.006  -0.343
  145   2HB   LYS  18          1HB       LYS  18   6.168  -8.904   0.788
  146   1HG   LYS  18          2HG       LYS  18   6.469 -11.084   0.604
  147   2HG   LYS  18          1HG       LYS  18   4.866 -11.356   1.283
  148   1HD   LYS  18          2HD       LYS  18   4.221 -12.194  -0.674
  149   2HD   LYS  18          1HD       LYS  18   4.482 -10.612  -1.409
  150   1HE   LYS  18          2HE       LYS  18   5.742 -12.213  -2.655
  151   2HE   LYS  18          1HE       LYS  18   6.879 -11.240  -1.723
  152   1HZ   LYS  18          1HZ       LYS  18   7.614 -13.392  -1.396
  153   2HZ   LYS  18          2HZ       LYS  18   6.054 -14.038  -1.289
  154   3HZ   LYS  18          3HZ       LYS  18   6.678 -13.123  -0.012
  155    H    ALA  19           H        ALA  19   4.077  -6.438   1.520
  156    HA   ALA  19           HA       ALA  19   6.198  -5.815   3.369
  157   1HB   ALA  19          1HB       ALA  19   5.430  -3.426   2.870
  158   2HB   ALA  19          2HB       ALA  19   4.356  -4.158   1.678
  159   3HB   ALA  19          3HB       ALA  19   6.103  -4.365   1.539
  160    H    LEU  20           H        LEU  20   2.671  -5.418   3.281
  161    HA   LEU  20           HA       LEU  20   2.590  -4.273   5.922
  162   1HB   LEU  20          2HB       LEU  20   0.373  -5.289   4.143
  163   2HB   LEU  20          1HB       LEU  20   0.138  -4.412   5.642
  164    HG   LEU  20           HG       LEU  20   1.605  -3.263   3.271
  165   1HD1  LEU  20          1HD1      LEU  20  -0.694  -1.898   3.310
  166   2HD1  LEU  20          2HD1      LEU  20  -1.282  -3.469   3.858
  167   3HD1  LEU  20          3HD1      LEU  20  -0.441  -3.332   2.313
  168   1HD2  LEU  20          1HD2      LEU  20   0.294  -1.804   5.545
  169   2HD2  LEU  20          2HD2      LEU  20   1.486  -1.206   4.390
  170   3HD2  LEU  20          3HD2      LEU  20   1.965  -2.363   5.632
  171    H    GLY  21           H        GLY  21   2.219  -7.440   4.494
  172   1HA   GLY  21          2HA       GLY  21   2.672  -9.386   5.837
  173   2HA   GLY  21          1HA       GLY  21   1.968  -8.547   7.212
  174    H    ILE  22           H        ILE  22  -0.106  -7.760   4.884
  175    HA   ILE  22           HA       ILE  22  -2.017  -9.750   5.702
  176    HB   ILE  22           HB       ILE  22  -3.593  -8.516   4.238
  177   1HG1  ILE  22          2HG1      ILE  22  -1.303  -6.597   3.788
  178   2HG1  ILE  22          1HG1      ILE  22  -1.813  -7.794   2.601
  179   1HG2  ILE  22          1HG2      ILE  22  -3.087  -7.913   6.639
  180   2HG2  ILE  22          2HG2      ILE  22  -3.812  -6.641   5.655
  181   3HG2  ILE  22          3HG2      ILE  22  -2.083  -6.609   6.004
  182   1HD1  ILE  22          1HD1      ILE  22  -3.826  -5.896   3.695
  183   2HD1  ILE  22          2HD1      ILE  22  -3.755  -6.685   2.119
  184   3HD1  ILE  22          3HD1      ILE  22  -2.676  -5.337   2.480
  185    H    SER  23           H        SER  23  -3.544 -10.518   3.799
  186    HA   SER  23           HA       SER  23  -1.865 -12.161   2.104
  187   1HB   SER  23          2HB       SER  23  -4.882 -12.142   2.178
  188   2HB   SER  23          1HB       SER  23  -3.818 -13.447   1.657
  189    HG   SER  23           HG       SER  23  -4.409 -13.984   3.688
  190    H    ASP  24           H        ASP  24  -2.299 -12.414  -0.198
  191    HA   ASP  24           HA       ASP  24  -2.206  -9.987  -1.588
  192   1HB   ASP  24          2HB       ASP  24  -2.573 -11.444  -3.632
  193   2HB   ASP  24          1HB       ASP  24  -1.216 -11.896  -2.605
  194    H    ALA  25           H        ALA  25  -4.890 -12.044  -0.724
  195    HA   ALA  25           HA       ALA  25  -6.796 -10.981  -2.525
  196   1HB   ALA  25          1HB       ALA  25  -7.388 -13.028  -1.589
  197   2HB   ALA  25          2HB       ALA  25  -8.437 -11.881  -0.756
  198   3HB   ALA  25          3HB       ALA  25  -6.996 -12.504   0.049
  199    H    ALA  26           H        ALA  26  -5.800 -10.074   0.738
  200    HA   ALA  26           HA       ALA  26  -7.823  -8.224   1.298
  201   1HB   ALA  26          1HB       ALA  26  -5.772  -7.161   2.656
  202   2HB   ALA  26          2HB       ALA  26  -5.100  -8.756   2.317
  203   3HB   ALA  26          3HB       ALA  26  -6.630  -8.610   3.183
  204    H    VAL  27           H        VAL  27  -4.695  -7.801  -0.316
  205    HA   VAL  27           HA       VAL  27  -4.932  -4.992  -0.652
  206    HB   VAL  27           HB       VAL  27  -3.264  -6.958  -2.230
  207   1HG1  VAL  27          1HG1      VAL  27  -2.962  -3.971  -1.940
  208   2HG1  VAL  27          2HG1      VAL  27  -3.576  -4.802  -3.371
  209   3HG1  VAL  27          3HG1      VAL  27  -1.906  -5.048  -2.856
  210   1HG2  VAL  27          1HG2      VAL  27  -2.739  -7.069   0.131
  211   2HG2  VAL  27          2HG2      VAL  27  -2.600  -5.313   0.210
  212   3HG2  VAL  27          3HG2      VAL  27  -1.438  -6.248  -0.730
  213    H    SER  28           H        SER  28  -5.891  -7.768  -2.577
  214    HA   SER  28           HA       SER  28  -6.520  -6.274  -4.926
  215   1HB   SER  28          2HB       SER  28  -7.284  -8.295  -5.836
  216   2HB   SER  28          1HB       SER  28  -6.043  -8.813  -4.695
  217    HG   SER  28           HG       SER  28  -7.678 -10.070  -4.120
  218    H    GLN  29           H        GLN  29  -8.257  -7.201  -2.040
  219    HA   GLN  29           HA       GLN  29 -10.850  -6.551  -3.043
  220   1HB   GLN  29          2HB       GLN  29  -9.697  -7.318  -0.419
  221   2HB   GLN  29          1HB       GLN  29 -11.220  -6.455  -0.394
  222   1HG   GLN  29          2HG       GLN  29 -12.370  -8.180  -1.311
  223   2HG   GLN  29          1HG       GLN  29 -10.990  -8.746  -2.252
  224   1HE2  GLN  29          1HE2      GLN  29 -10.030 -10.525  -1.578
  225   2HE2  GLN  29          2HE2      GLN  29 -10.150 -11.209   0.003
  226    H    TRP  30           H        TRP  30  -8.231  -4.693  -1.913
  227    HA   TRP  30           HA       TRP  30  -9.402  -2.567  -0.598
  228   1HB   TRP  30          2HB       TRP  30  -7.009  -2.795  -2.389
  229   2HB   TRP  30          1HB       TRP  30  -7.517  -1.212  -1.813
  230    HD1  TRP  30           HD       TRP  30  -8.388  -3.095   1.036
  231    HE1  TRP  30           1HE      TRP  30  -6.481  -3.274   2.755
  232    HE3  TRP  30           3HE      TRP  30  -4.470  -1.733  -1.951
  233    HZ2  TRP  30           2HZ      TRP  30  -3.685  -2.890   2.833
  234    HZ3  TRP  30           3HZ      TRP  30  -2.212  -1.663  -0.977
  235    HH2  TRP  30           HH       TRP  30  -1.829  -2.229   1.366
  236    H    LYS  31           H        LYS  31 -10.820  -1.056  -1.143
  237    HA   LYS  31           HA       LYS  31 -11.820  -0.916  -3.840
  238   1HB   LYS  31          2HB       LYS  31 -12.580   0.902  -1.557
  239   2HB   LYS  31          1HB       LYS  31 -13.540   0.482  -2.970
  240   1HG   LYS  31          2HG       LYS  31 -12.870  -1.906  -1.557
  241   2HG   LYS  31          1HG       LYS  31 -13.550  -0.731  -0.427
  242   1HD   LYS  31          2HD       LYS  31 -14.960  -0.965  -3.004
  243   2HD   LYS  31          1HD       LYS  31 -15.030  -2.391  -1.964
  244   1HE   LYS  31          2HE       LYS  31 -15.520  -0.386  -0.186
  245   2HE   LYS  31          1HE       LYS  31 -16.270   0.250  -1.648
  246   1HZ   LYS  31          1HZ       LYS  31 -17.170  -2.252  -1.674
  247   2HZ   LYS  31          2HZ       LYS  31 -18.000  -0.974  -0.933
  248   3HZ   LYS  31          3HZ       LYS  31 -17.040  -2.014  -0.004
  249    H    GLU  32           H        GLU  32 -12.490   1.798  -4.039
  250    HA   GLU  32           HA       GLU  32 -10.330   2.878  -5.362
  251   1HB   GLU  32          2HB       GLU  32 -12.920   3.843  -4.417
  252   2HB   GLU  32          1HB       GLU  32 -11.700   5.113  -4.465
  253   1HG   GLU  32          2HG       GLU  32 -11.510   5.037  -6.735
  254   2HG   GLU  32          1HG       GLU  32 -11.960   3.337  -6.829
  255    H    VAL  33           H        VAL  33 -11.150   3.083  -1.961
  256    HA   VAL  33           HA       VAL  33  -8.592   4.460  -1.489
  257    HB   VAL  33           HB       VAL  33 -11.050   4.820   0.214
  258   1HG1  VAL  33          1HG1      VAL  33  -9.830   6.166   1.543
  259   2HG1  VAL  33          2HG1      VAL  33  -8.870   6.793   0.203
  260   3HG1  VAL  33          3HG1      VAL  33  -8.486   5.220   0.903
  261   1HG2  VAL  33          1HG2      VAL  33 -11.800   6.019  -1.548
  262   2HG2  VAL  33          2HG2      VAL  33 -10.190   6.192  -2.252
  263   3HG2  VAL  33          3HG2      VAL  33 -10.690   7.236  -0.919
  264    H    ILE  34           H        ILE  34  -7.244   3.473  -0.114
  265    HA   ILE  34           HA       ILE  34  -7.814   0.886   0.886
  266    HB   ILE  34           HB       ILE  34  -5.650   1.082   2.078
  267   1HG1  ILE  34          2HG1      ILE  34  -5.590   3.866   0.896
  268   2HG1  ILE  34          1HG1      ILE  34  -5.819   3.497   2.602
  269   1HG2  ILE  34          1HG2      ILE  34  -4.275   1.122   0.123
  270   2HG2  ILE  34          2HG2      ILE  34  -5.473   2.067  -0.761
  271   3HG2  ILE  34          3HG2      ILE  34  -5.824   0.398  -0.309
  272   1HD1  ILE  34          1HD1      ILE  34  -3.372   2.956   0.944
  273   2HD1  ILE  34          2HD1      ILE  34  -3.594   2.411   2.608
  274   3HD1  ILE  34          3HD1      ILE  34  -3.548   4.135   2.243
  275    HA   PRO  35           HA       PRO  35  -9.559   1.415   4.892
  276   1HB   PRO  35          2HB       PRO  35  -7.265  -0.052   6.081
  277   2HB   PRO  35          1HB       PRO  35  -8.994  -0.402   6.174
  278   1HG   PRO  35          2HG       PRO  35  -7.385  -1.868   4.636
  279   2HG   PRO  35          1HG       PRO  35  -9.027  -1.457   4.111
  280   1HD   PRO  35          2HD       PRO  35  -6.412  -0.286   3.257
  281   2HD   PRO  35          1HD       PRO  35  -7.863  -0.631   2.292
  282    H    GLU  36           H        GLU  36  -9.255   2.426   6.977
  283    HA   GLU  36           HA       GLU  36  -7.579   4.705   6.855
  284   1HB   GLU  36          2HB       GLU  36  -9.734   4.729   8.013
  285   2HB   GLU  36          1HB       GLU  36  -9.132   3.560   9.182
  286   1HG   GLU  36          2HG       GLU  36  -7.523   6.003   8.915
  287   2HG   GLU  36          1HG       GLU  36  -9.150   6.231   9.558
  288    H    LYS  37           H        LYS  37  -7.275   1.580   8.416
  289    HA   LYS  37           HA       LYS  37  -4.915   2.416   9.890
  290   1HB   LYS  37          2HB       LYS  37  -4.942   0.189  10.852
  291   2HB   LYS  37          1HB       LYS  37  -6.551   0.893  10.934
  292   1HG   LYS  37          2HG       LYS  37  -6.876  -0.397   8.668
  293   2HG   LYS  37          1HG       LYS  37  -5.551  -1.379   9.297
  294   1HD   LYS  37          2HD       LYS  37  -7.193  -2.529  10.318
  295   2HD   LYS  37          1HD       LYS  37  -7.157  -1.201  11.480
  296   1HE   LYS  37          2HE       LYS  37  -9.351  -1.051  11.019
  297   2HE   LYS  37          1HE       LYS  37  -8.801  -0.178   9.589
  298   1HZ   LYS  37          1HZ       LYS  37  -8.889  -2.231   8.335
  299   2HZ   LYS  37          2HZ       LYS  37 -10.390  -1.914   9.035
  300   3HZ   LYS  37          3HZ       LYS  37  -9.381  -3.089   9.707
  301    H    ASP  38           H        ASP  38  -5.635   1.035   6.847
  302    HA   ASP  38           HA       ASP  38  -3.136  -0.371   6.563
  303   1HB   ASP  38          2HB       ASP  38  -5.592  -0.076   5.038
  304   2HB   ASP  38          1HB       ASP  38  -4.173   0.049   4.004
  305    H    ALA  39           H        ALA  39  -4.506   2.701   5.492
  306    HA   ALA  39           HA       ALA  39  -2.400   3.538   3.854
  307   1HB   ALA  39          1HB       ALA  39  -4.259   5.237   5.512
  308   2HB   ALA  39          2HB       ALA  39  -4.587   4.630   3.889
  309   3HB   ALA  39          3HB       ALA  39  -3.285   5.791   4.150
  310    H    TYR  40           H        TYR  40  -2.712   3.460   7.324
  311    HA   TYR  40           HA       TYR  40  -0.600   5.318   7.852
  312   1HB   TYR  40          2HB       TYR  40  -2.353   4.903   9.507
  313   2HB   TYR  40          1HB       TYR  40  -1.856   3.213   9.630
  314    HD1  TYR  40           1HD      TYR  40  -0.957   6.683  10.454
  315    HD2  TYR  40           2HD      TYR  40   0.097   2.584  10.893
  316    HE1  TYR  40           1HE      TYR  40   0.624   7.288  12.236
  317    HE2  TYR  40           2HE      TYR  40   1.681   3.178  12.679
  318    HH   TYR  40           HH       TYR  40   1.699   6.178  14.199
  319    H    ARG  41           H        ARG  41  -0.840   1.773   7.841
  320    HA   ARG  41           HA       ARG  41   1.803   1.257   8.646
  321   1HB   ARG  41          2HB       ARG  41  -0.361  -0.295   7.327
  322   2HB   ARG  41          1HB       ARG  41   1.272  -0.936   7.210
  323   1HG   ARG  41          2HG       ARG  41   1.324  -1.549   9.363
  324   2HG   ARG  41          1HG       ARG  41   0.492  -0.091   9.905
  325   1HD   ARG  41          2HD       ARG  41  -1.307  -1.360  10.230
  326   2HD   ARG  41          1HD       ARG  41  -1.431  -1.502   8.478
  327    HE   ARG  41           HE       ARG  41   0.316  -3.456   9.117
  328   1HH1  ARG  41          1HH1      ARG  41  -2.847  -2.617  10.332
  329   2HH1  ARG  41          2HH1      ARG  41  -3.259  -4.249  10.742
  330   1HH2  ARG  41          1HH2      ARG  41  -0.224  -5.602   9.657
  331   2HH2  ARG  41          2HH2      ARG  41  -1.771  -5.943  10.359
  332    H    LEU  42           H        LEU  42   0.420   1.991   5.517
  333    HA   LEU  42           HA       LEU  42   2.487   1.113   3.862
  334   1HB   LEU  42          2HB       LEU  42   0.579   3.426   3.552
  335   2HB   LEU  42          1HB       LEU  42   1.660   2.885   2.281
  336    HG   LEU  42           HG       LEU  42  -0.416   1.106   3.553
  337   1HD1  LEU  42          1HD1      LEU  42  -1.267   3.198   2.316
  338   2HD1  LEU  42          2HD1      LEU  42  -1.926   1.624   1.871
  339   3HD1  LEU  42          3HD1      LEU  42  -0.696   2.382   0.860
  340   1HD2  LEU  42          1HD2      LEU  42  -0.040  -0.298   1.615
  341   2HD2  LEU  42          2HD2      LEU  42   1.482  -0.020   2.462
  342   3HD2  LEU  42          3HD2      LEU  42   1.128   0.858   0.974
  343    H    GLU  43           H        GLU  43   2.085   4.169   5.591
  344    HA   GLU  43           HA       GLU  43   4.259   5.532   4.466
  345   1HB   GLU  43          2HB       GLU  43   2.427   6.531   5.869
  346   2HB   GLU  43          1HB       GLU  43   3.225   5.854   7.284
  347   1HG   GLU  43          2HG       GLU  43   5.295   7.147   6.448
  348   2HG   GLU  43          1HG       GLU  43   4.135   8.053   5.477
  349    H    ILE  44           H        ILE  44   4.198   2.903   6.659
  350    HA   ILE  44           HA       ILE  44   6.857   3.474   7.706
  351    HB   ILE  44           HB       ILE  44   5.138   1.056   8.242
  352   1HG1  ILE  44          2HG1      ILE  44   5.102   3.819   9.356
  353   2HG1  ILE  44          1HG1      ILE  44   3.776   2.687   9.122
  354   1HG2  ILE  44          1HG2      ILE  44   6.551   0.783  10.205
  355   2HG2  ILE  44          2HG2      ILE  44   7.467   2.223   9.763
  356   3HG2  ILE  44          3HG2      ILE  44   7.525   0.792   8.734
  357   1HD1  ILE  44          1HD1      ILE  44   5.836   2.574  11.311
  358   2HD1  ILE  44          2HD1      ILE  44   4.518   1.424  11.077
  359   3HD1  ILE  44          3HD1      ILE  44   4.163   3.105  11.474
  360    H    VAL  45           H        VAL  45   5.231   0.895   5.864
  361    HA   VAL  45           HA       VAL  45   7.551  -0.616   5.355
  362    HB   VAL  45           HB       VAL  45   6.192  -1.531   3.395
  363   1HG1  VAL  45          1HG1      VAL  45   5.599  -1.718   6.283
  364   2HG1  VAL  45          2HG1      VAL  45   6.078  -2.972   5.138
  365   3HG1  VAL  45          3HG1      VAL  45   4.405  -2.413   5.187
  366   1HG2  VAL  45          1HG2      VAL  45   3.883  -0.992   3.244
  367   2HG2  VAL  45          2HG2      VAL  45   4.772   0.529   3.206
  368   3HG2  VAL  45          3HG2      VAL  45   3.959   0.021   4.685
  369    H    THR  46           H        THR  46   5.986   1.989   3.575
  370    HA   THR  46           HA       THR  46   7.768   1.804   1.336
  371    HB   THR  46           HB       THR  46   6.584   3.746   0.513
  372    HG1  THR  46           1HG      THR  46   5.463   3.857   3.106
  373   1HG2  THR  46          1HG2      THR  46   4.157   2.695   1.502
  374   2HG2  THR  46          2HG2      THR  46   5.273   1.354   1.240
  375   3HG2  THR  46          3HG2      THR  46   4.897   2.460  -0.080
  376    H    ALA  47           H        ALA  47   8.404   2.754   4.370
  377    HA   ALA  47           HA       ALA  47  10.052   3.994   5.327
  378   1HB   ALA  47          1HB       ALA  47  11.147   3.174   3.007
  379   2HB   ALA  47          2HB       ALA  47  11.994   4.170   4.190
  380   3HB   ALA  47          3HB       ALA  47  11.230   4.922   2.789
  381    H    GLY  48           H        GLY  48   7.499   5.172   4.556
  382   1HA   GLY  48          2HA       GLY  48   6.606   7.279   4.962
  383   2HA   GLY  48          1HA       GLY  48   8.233   7.941   4.953
  384    H    ALA  49           H        ALA  49   7.169   5.962   2.307
  385    HA   ALA  49           HA       ALA  49   7.712   7.985   0.403
  386   1HB   ALA  49          1HB       ALA  49   6.051   5.553  -0.175
  387   2HB   ALA  49          2HB       ALA  49   7.789   5.439   0.106
  388   3HB   ALA  49          3HB       ALA  49   7.174   6.406  -1.234
  389    H    LEU  50           H        LEU  50   4.630   6.449   1.342
  390    HA   LEU  50           HA       LEU  50   3.157   8.596   0.036
  391   1HB   LEU  50          2HB       LEU  50   2.246   6.063   1.401
  392   2HB   LEU  50          1HB       LEU  50   1.157   7.234   0.680
  393    HG   LEU  50           HG       LEU  50   2.792   6.741  -1.424
  394   1HD1  LEU  50          1HD1      LEU  50   2.729   4.082  -1.301
  395   2HD1  LEU  50          2HD1      LEU  50   2.972   4.426   0.411
  396   3HD1  LEU  50          3HD1      LEU  50   4.126   5.025  -0.780
  397   1HD2  LEU  50          1HD2      LEU  50   0.381   5.095  -0.665
  398   2HD2  LEU  50          2HD2      LEU  50   1.007   5.360  -2.293
  399   3HD2  LEU  50          3HD2      LEU  50   0.328   6.708  -1.379
  400    H    LYS  51           H        LYS  51   2.169  10.228   1.068
  401    HA   LYS  51           HA       LYS  51   2.624  10.520   3.910
  402   1HB   LYS  51          2HB       LYS  51   1.467  12.342   1.805
  403   2HB   LYS  51          1HB       LYS  51   1.510  12.773   3.510
  404   1HG   LYS  51          2HG       LYS  51   3.511  13.642   3.113
  405   2HG   LYS  51          1HG       LYS  51   4.102  11.985   2.975
  406   1HD   LYS  51          2HD       LYS  51   4.807  12.786   0.961
  407   2HD   LYS  51          1HD       LYS  51   3.185  12.270   0.499
  408   1HE   LYS  51          2HE       LYS  51   2.346  14.492   0.660
  409   2HE   LYS  51          1HE       LYS  51   3.833  15.061   1.420
  410   1HZ   LYS  51          1HZ       LYS  51   4.923  14.289  -0.758
  411   2HZ   LYS  51          2HZ       LYS  51   4.056  15.740  -0.762
  412   3HZ   LYS  51          3HZ       LYS  51   3.356  14.338  -1.397
  413    H    TYR  52           H        TYR  52   1.271   9.184   5.024
  414    HA   TYR  52           HA       TYR  52  -1.419   8.670   4.415
  415   1HB   TYR  52          2HB       TYR  52  -0.245   7.197   5.903
  416   2HB   TYR  52          1HB       TYR  52   0.109   8.513   7.017
  417    HD1  TYR  52           1HD      TYR  52  -0.985   8.172   9.010
  418    HD2  TYR  52           2HD      TYR  52  -3.055   7.324   5.391
  419    HE1  TYR  52           1HE      TYR  52  -3.005   7.622  10.297
  420    HE2  TYR  52           2HE      TYR  52  -5.069   6.765   6.668
  421    HH   TYR  52           HH       TYR  52  -5.301   7.343  10.101
  422    H    GLN  53           H        GLN  53  -3.276   9.723   4.838
  423    HA   GLN  53           HA       GLN  53  -3.204  12.017   6.659
  424   1HB   GLN  53          2HB       GLN  53  -4.649  13.263   4.987
  425   2HB   GLN  53          1HB       GLN  53  -2.953  13.081   4.560
  426   1HG   GLN  53          2HG       GLN  53  -4.909  11.067   3.575
  427   2HG   GLN  53          1HG       GLN  53  -4.848  12.652   2.806
  428   1HE2  GLN  53          1HE2      GLN  53  -2.545  13.372   2.281
  429   2HE2  GLN  53          2HE2      GLN  53  -1.531  12.182   1.546
  430    H    GLU  54           H        GLU  54  -4.611  11.537   8.195
  431    HA   GLU  54           HA       GLU  54  -6.724   9.698   7.939
  432   1HB   GLU  54          2HB       GLU  54  -5.611  11.392  10.003
  433   2HB   GLU  54          1HB       GLU  54  -7.368  11.400  10.076
  434   1HG   GLU  54          2HG       GLU  54  -6.870   8.752   9.774
  435   2HG   GLU  54          1HG       GLU  54  -5.459   9.267  10.698
  436    H    ASN  55           H        ASN  55  -6.479  12.947   6.944
  437    HA   ASN  55           HA       ASN  55  -8.990  14.000   7.302
  438   1HB   ASN  55          2HB       ASN  55  -7.010  14.278   5.057
  439   2HB   ASN  55          1HB       ASN  55  -8.550  15.132   5.019
  440   1HD2  ASN  55          1HD2      ASN  55  -6.899  16.925   4.945
  441   2HD2  ASN  55          2HD2      ASN  55  -6.423  17.602   6.461
  442    H    ALA  56           H        ALA  56  -7.910  11.832   4.712
  443    HA   ALA  56           HA       ALA  56 -10.610  11.662   3.654
  444   1HB   ALA  56          1HB       ALA  56  -7.923  10.907   2.707
  445   2HB   ALA  56          2HB       ALA  56  -9.274  11.634   1.835
  446   3HB   ALA  56          3HB       ALA  56  -9.263   9.899   2.160
  447    H    TYR  57           H        TYR  57  -9.454  10.443   6.302
  448    HA   TYR  57           HA       TYR  57 -10.770   7.846   5.949
  449   1HB   TYR  57          2HB       TYR  57  -8.215   8.349   7.485
  450   2HB   TYR  57          1HB       TYR  57  -9.092   6.822   7.439
  451    HD1  TYR  57           1HD      TYR  57  -9.616   6.026   4.917
  452    HD2  TYR  57           2HD      TYR  57  -6.372   8.511   6.104
  453    HE1  TYR  57           1HE      TYR  57  -8.378   5.362   2.903
  454    HE2  TYR  57           2HE      TYR  57  -5.123   7.851   4.091
  455    HH   TYR  57           HH       TYR  57  -6.547   5.680   1.667
  456    H    ARG  58           H        ARG  58 -11.590  10.485   7.065
  457    HA   ARG  58           HA       ARG  58 -12.260   9.574   9.784
  458   1HB   ARG  58          2HB       ARG  58 -11.000  12.004   8.926
  459   2HB   ARG  58          1HB       ARG  58 -12.560  12.389   9.638
  460   1HG   ARG  58          2HG       ARG  58 -11.140  10.457  11.242
  461   2HG   ARG  58          1HG       ARG  58 -10.170  11.905  10.974
  462   1HD   ARG  58          2HD       ARG  58 -11.580  13.237  12.152
  463   2HD   ARG  58          1HD       ARG  58 -13.010  12.326  11.673
  464    HE   ARG  58           HE       ARG  58 -11.300  10.889  13.468
  465   1HH1  ARG  58          1HH1      ARG  58 -13.880  13.219  13.253
  466   2HH1  ARG  58          2HH1      ARG  58 -14.480  12.892  14.846
  467   1HH2  ARG  58          1HH2      ARG  58 -12.080  10.456  15.564
  468   2HH2  ARG  58          2HH2      ARG  58 -13.460  11.324  16.159
  469    H    GLN  59           H        GLN  59 -13.330  11.451   6.976
  470    HA   GLN  59           HA       GLN  59 -16.060  10.581   7.455
  471   1HB   GLN  59          2HB       GLN  59 -15.400  12.958   8.533
  472   2HB   GLN  59          1HB       GLN  59 -15.820  13.485   6.909
  473   1HG   GLN  59          2HG       GLN  59 -17.980  12.133   7.252
  474   2HG   GLN  59          1HG       GLN  59 -17.550  12.167   8.962
  475   1HE2  GLN  59          1HE2      GLN  59 -16.450  14.696   9.138
  476   2HE2  GLN  59          2HE2      GLN  59 -17.680  15.873   8.875
  477    H    ALA  60           H        ALA  60 -14.110   9.996   5.439
  478    HA   ALA  60           HA       ALA  60 -15.400  11.214   3.081
  479   1HB   ALA  60          1HB       ALA  60 -12.820  11.532   3.631
  480   2HB   ALA  60          2HB       ALA  60 -13.410  11.346   1.978
  481   3HB   ALA  60          3HB       ALA  60 -12.710   9.964   2.827
  482    H    ALA  61           H        ALA  61 -16.490   9.889   1.794
  483    HA   ALA  61           HA       ALA  61 -15.750   7.065   1.641
  484   1HB   ALA  61          1HB       ALA  61 -17.580   7.503   3.407
  485   2HB   ALA  61          2HB       ALA  61 -17.840   6.215   2.228
  486   3HB   ALA  61          3HB       ALA  61 -18.640   7.773   2.022
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  -5.369   7.842   1.616
    2   2H    MET   1          2HT       MET   1  -3.653   7.831   1.645
    3   3H    MET   1          3HT       MET   1  -4.517   6.392   1.284
    4    HA   MET   1           HA       MET   1  -4.900   8.763  -0.363
    5   1HB   MET   1          2HB       MET   1  -3.016   7.903  -1.794
    6   2HB   MET   1          1HB       MET   1  -2.514   8.612  -0.266
    7   1HG   MET   1          2HG       MET   1  -2.786   5.999   0.421
    8   2HG   MET   1          1HG       MET   1  -2.248   5.871  -1.253
    9   1HE   MET   1          1HE       MET   1  -0.259   7.101   2.484
   10   2HE   MET   1          2HE       MET   1  -0.039   5.424   1.987
   11   3HE   MET   1          3HE       MET   1  -1.663   6.095   2.126
   12    H    TYR   2           H        TYR   2  -4.777   7.704  -2.755
   13    HA   TYR   2           HA       TYR   2  -6.945   5.789  -2.763
   14   1HB   TYR   2          2HB       TYR   2  -5.652   7.561  -4.774
   15   2HB   TYR   2          1HB       TYR   2  -6.469   6.120  -5.369
   16    HD1  TYR   2           1HD      TYR   2  -7.026   9.080  -3.167
   17    HD2  TYR   2           2HD      TYR   2  -8.760   6.183  -5.755
   18    HE1  TYR   2           1HE      TYR   2  -9.182  10.253  -3.024
   19    HE2  TYR   2           2HE      TYR   2 -10.920   7.348  -5.621
   20    HH   TYR   2           HH       TYR   2 -11.360  10.318  -4.778
   21    H    LYS   3           H        LYS   3  -6.883   3.711  -3.511
   22    HA   LYS   3           HA       LYS   3  -4.563   2.216  -3.191
   23   1HB   LYS   3          2HB       LYS   3  -7.077   1.504  -3.316
   24   2HB   LYS   3          1HB       LYS   3  -6.739   1.282  -5.028
   25   1HG   LYS   3          2HG       LYS   3  -4.762   0.047  -3.268
   26   2HG   LYS   3          1HG       LYS   3  -6.394  -0.601  -3.084
   27   1HD   LYS   3          2HD       LYS   3  -5.484  -0.213  -5.861
   28   2HD   LYS   3          1HD       LYS   3  -4.621  -1.450  -4.944
   29   1HE   LYS   3          2HE       LYS   3  -6.626  -2.259  -6.230
   30   2HE   LYS   3          1HE       LYS   3  -6.619  -2.651  -4.512
   31   1HZ   LYS   3          1HZ       LYS   3  -8.114  -0.417  -5.775
   32   2HZ   LYS   3          2HZ       LYS   3  -8.097  -0.773  -4.122
   33   3HZ   LYS   3          3HZ       LYS   3  -8.785  -1.865  -5.215
   34    H    LYS   4           H        LYS   4  -5.787   3.876  -5.998
   35    HA   LYS   4           HA       LYS   4  -4.376   2.563  -8.016
   36   1HB   LYS   4          2HB       LYS   4  -6.165   4.250  -8.381
   37   2HB   LYS   4          1HB       LYS   4  -5.043   5.508  -7.882
   38   1HG   LYS   4          2HG       LYS   4  -4.000   3.803 -10.005
   39   2HG   LYS   4          1HG       LYS   4  -5.471   4.669 -10.450
   40   1HD   LYS   4          2HD       LYS   4  -4.028   6.616  -9.187
   41   2HD   LYS   4          1HD       LYS   4  -2.758   5.674  -9.972
   42   1HE   LYS   4          2HE       LYS   4  -5.208   6.726 -11.378
   43   2HE   LYS   4          1HE       LYS   4  -3.649   7.550 -11.353
   44   1HZ   LYS   4          1HZ       LYS   4  -2.746   6.081 -12.786
   45   2HZ   LYS   4          2HZ       LYS   4  -4.355   5.869 -13.264
   46   3HZ   LYS   4          3HZ       LYS   4  -3.638   4.766 -12.203
   47    H    ASP   5           H        ASP   5  -3.301   4.818  -5.602
   48    HA   ASP   5           HA       ASP   5  -0.810   5.402  -6.949
   49   1HB   ASP   5          2HB       ASP   5  -2.090   6.981  -5.380
   50   2HB   ASP   5          1HB       ASP   5  -1.439   6.007  -4.065
   51    H    VAL   6           H        VAL   6  -1.833   3.561  -4.085
   52    HA   VAL   6           HA       VAL   6   0.617   2.707  -3.174
   53    HB   VAL   6           HB       VAL   6  -1.789   0.904  -3.184
   54   1HG1  VAL   6          1HG1      VAL   6   0.088  -0.099  -2.193
   55   2HG1  VAL   6          2HG1      VAL   6  -0.897   0.484  -0.853
   56   3HG1  VAL   6          3HG1      VAL   6   0.532   1.385  -1.354
   57   1HG2  VAL   6          1HG2      VAL   6  -1.385   3.472  -1.692
   58   2HG2  VAL   6          2HG2      VAL   6  -2.328   2.160  -0.984
   59   3HG2  VAL   6          3HG2      VAL   6  -2.826   2.878  -2.517
   60    H    ILE   7           H        ILE   7  -1.547   0.961  -5.412
   61    HA   ILE   7           HA       ILE   7   0.132  -1.192  -5.939
   62    HB   ILE   7           HB       ILE   7  -1.967   0.110  -7.672
   63   1HG1  ILE   7          2HG1      ILE   7  -1.935  -2.385  -5.960
   64   2HG1  ILE   7          1HG1      ILE   7  -2.816  -0.897  -5.629
   65   1HG2  ILE   7          1HG2      ILE   7  -1.926  -1.979  -9.009
   66   2HG2  ILE   7          2HG2      ILE   7  -0.465  -2.460  -8.145
   67   3HG2  ILE   7          3HG2      ILE   7  -0.454  -1.017  -9.161
   68   1HD1  ILE   7          1HD1      ILE   7  -4.142  -2.846  -6.549
   69   2HD1  ILE   7          2HD1      ILE   7  -3.328  -2.541  -8.083
   70   3HD1  ILE   7          3HD1      ILE   7  -4.344  -1.293  -7.361
   71    H    ASP   8           H        ASP   8   0.241   2.069  -7.136
   72    HA   ASP   8           HA       ASP   8   1.989   1.489  -9.341
   73   1HB   ASP   8          2HB       ASP   8   0.400   3.657  -8.587
   74   2HB   ASP   8          1HB       ASP   8   2.051   4.249  -8.429
   75    H    HIS   9           H        HIS   9   2.308   2.304  -5.982
   76    HA   HIS   9           HA       HIS   9   5.124   2.921  -6.200
   77   1HB   HIS   9          2HB       HIS   9   3.968   4.188  -4.556
   78   2HB   HIS   9          1HB       HIS   9   3.202   2.754  -3.882
   79    HD1  HIS   9           1HD      HIS   9   5.953   5.007  -3.324
   80    HD2  HIS   9           2HD      HIS   9   5.210   0.987  -2.578
   81    HE1  HIS   9           1HE      HIS   9   7.628   4.326  -1.575
   82    HE2  HIS   9           2HE      HIS   9   7.222   1.867  -1.211
   83    H    PHE  10           H        PHE  10   3.081   0.227  -5.368
   84    HA   PHE  10           HA       PHE  10   5.359  -1.343  -4.427
   85   1HB   PHE  10          2HB       PHE  10   2.381  -1.747  -4.371
   86   2HB   PHE  10          1HB       PHE  10   3.484  -3.082  -4.064
   87    HD1  PHE  10           1HD      PHE  10   4.968  -3.039  -2.112
   88    HD2  PHE  10           2HD      PHE  10   2.035  -0.029  -2.763
   89    HE1  PHE  10           1HE      PHE  10   5.172  -2.338   0.240
   90    HE2  PHE  10           2HE      PHE  10   2.231   0.678  -0.415
   91    HZ   PHE  10           HZ       PHE  10   3.802  -0.476   1.090
   92    H    GLY  11           H        GLY  11   3.205  -1.026  -7.149
   93   1HA   GLY  11          2HA       GLY  11   3.633  -1.820  -9.313
   94   2HA   GLY  11          1HA       GLY  11   4.857  -2.897  -8.652
   95    H    THR  12           H        THR  12   3.585  -4.375  -6.835
   96    HA   THR  12           HA       THR  12   1.233  -5.516  -8.175
   97    HB   THR  12           HB       THR  12   2.207  -7.798  -7.467
   98    HG1  THR  12           1HG      THR  12   3.942  -6.924  -6.244
   99   1HG2  THR  12          1HG2      THR  12   4.023  -7.405  -9.494
  100   2HG2  THR  12          2HG2      THR  12   2.775  -6.201  -9.816
  101   3HG2  THR  12          3HG2      THR  12   2.341  -7.906  -9.676
  102    H    GLN  13           H        GLN  13  -0.331  -6.325  -6.825
  103    HA   GLN  13           HA       GLN  13  -0.633  -5.300  -4.290
  104   1HB   GLN  13          2HB       GLN  13  -2.281  -7.260  -3.974
  105   2HB   GLN  13          1HB       GLN  13  -2.586  -6.112  -5.270
  106   1HG   GLN  13          2HG       GLN  13  -0.967  -8.151  -6.349
  107   2HG   GLN  13          1HG       GLN  13  -2.233  -8.938  -5.410
  108   1HE2  GLN  13          1HE2      GLN  13  -4.339  -7.253  -5.750
  109   2HE2  GLN  13          2HE2      GLN  13  -4.805  -7.214  -7.413
  110    H    ARG  14           H        ARG  14   0.577  -8.522  -5.175
  111    HA   ARG  14           HA       ARG  14   0.872  -9.687  -2.720
  112   1HB   ARG  14          2HB       ARG  14   1.568 -10.422  -5.189
  113   2HB   ARG  14          1HB       ARG  14   3.160  -9.967  -4.601
  114   1HG   ARG  14          2HG       ARG  14   3.139 -11.607  -2.931
  115   2HG   ARG  14          1HG       ARG  14   1.396 -11.846  -3.070
  116   1HD   ARG  14          2HD       ARG  14   1.979 -13.627  -4.312
  117   2HD   ARG  14          1HD       ARG  14   2.195 -12.434  -5.591
  118    HE   ARG  14           HE       ARG  14   4.460 -12.766  -5.477
  119   1HH1  ARG  14          1HH1      ARG  14   2.960 -14.187  -2.665
  120   2HH1  ARG  14          2HH1      ARG  14   4.408 -14.978  -2.138
  121   1HH2  ARG  14          1HH2      ARG  14   6.364 -13.807  -4.786
  122   2HH2  ARG  14          2HH2      ARG  14   6.340 -14.762  -3.342
  123    H    ALA  15           H        ALA  15   2.840  -7.154  -4.130
  124    HA   ALA  15           HA       ALA  15   5.005  -7.297  -2.322
  125   1HB   ALA  15          1HB       ALA  15   4.479  -4.610  -3.269
  126   2HB   ALA  15          2HB       ALA  15   4.376  -5.798  -4.568
  127   3HB   ALA  15          3HB       ALA  15   5.843  -5.678  -3.598
  128    H    VAL  16           H        VAL  16   2.128  -5.198  -2.365
  129    HA   VAL  16           HA       VAL  16   2.674  -3.816   0.001
  130    HB   VAL  16           HB       VAL  16  -0.184  -4.352  -0.537
  131   1HG1  VAL  16          1HG1      VAL  16   0.087  -2.621   0.920
  132   2HG1  VAL  16          2HG1      VAL  16   0.038  -1.729  -0.600
  133   3HG1  VAL  16          3HG1      VAL  16   1.586  -2.080   0.165
  134   1HG2  VAL  16          1HG2      VAL  16   1.656  -3.272  -2.633
  135   2HG2  VAL  16          2HG2      VAL  16   0.018  -2.633  -2.489
  136   3HG2  VAL  16          3HG2      VAL  16   0.270  -4.349  -2.804
  137    H    ALA  17           H        ALA  17   0.910  -6.829  -0.568
  138    HA   ALA  17           HA       ALA  17  -0.099  -7.232   1.999
  139   1HB   ALA  17          1HB       ALA  17   0.264  -9.759   1.234
  140   2HB   ALA  17          2HB       ALA  17   0.497  -8.967  -0.324
  141   3HB   ALA  17          3HB       ALA  17  -1.008  -8.738   0.564
  142    H    LYS  18           H        LYS  18   3.096  -7.813   0.684
  143    HA   LYS  18           HA       LYS  18   4.012  -9.308   2.964
  144   1HB   LYS  18          2HB       LYS  18   4.874  -9.268   0.460
  145   2HB   LYS  18          1HB       LYS  18   5.907  -7.986   1.076
  146   1HG   LYS  18          2HG       LYS  18   6.643  -9.587   2.870
  147   2HG   LYS  18          1HG       LYS  18   5.790 -10.849   1.979
  148   1HD   LYS  18          2HD       LYS  18   7.925  -9.105   0.763
  149   2HD   LYS  18          1HD       LYS  18   8.251 -10.675   1.498
  150   1HE   LYS  18          2HE       LYS  18   6.201 -10.352  -0.669
  151   2HE   LYS  18          1HE       LYS  18   7.909 -10.572  -1.046
  152   1HZ   LYS  18          1HZ       LYS  18   6.307 -12.606  -0.843
  153   2HZ   LYS  18          2HZ       LYS  18   6.631 -12.448   0.810
  154   3HZ   LYS  18          3HZ       LYS  18   7.899 -12.707  -0.278
  155    H    ALA  19           H        ALA  19   3.987  -5.970   1.953
  156    HA   ALA  19           HA       ALA  19   5.916  -5.064   3.861
  157   1HB   ALA  19          1HB       ALA  19   4.126  -2.977   3.045
  158   2HB   ALA  19          2HB       ALA  19   4.573  -3.964   1.654
  159   3HB   ALA  19          3HB       ALA  19   5.826  -3.212   2.641
  160    H    LEU  20           H        LEU  20   2.365  -4.955   3.688
  161    HA   LEU  20           HA       LEU  20   2.144  -3.825   6.328
  162   1HB   LEU  20          2HB       LEU  20  -0.076  -5.064   4.718
  163   2HB   LEU  20          1HB       LEU  20  -0.207  -3.857   5.984
  164    HG   LEU  20           HG       LEU  20   1.282  -3.217   3.465
  165   1HD1  LEU  20          1HD1      LEU  20  -1.072  -2.158   2.879
  166   2HD1  LEU  20          2HD1      LEU  20  -1.646  -3.548   3.798
  167   3HD1  LEU  20          3HD1      LEU  20  -0.631  -3.790   2.378
  168   1HD2  LEU  20          1HD2      LEU  20  -0.458  -1.326   4.947
  169   2HD2  LEU  20          2HD2      LEU  20   1.077  -1.049   4.123
  170   3HD2  LEU  20          3HD2      LEU  20   1.054  -1.823   5.708
  171    H    GLY  21           H        GLY  21   1.926  -7.000   4.867
  172   1HA   GLY  21          2HA       GLY  21   2.389  -8.984   6.093
  173   2HA   GLY  21          1HA       GLY  21   1.874  -8.165   7.559
  174    H    ILE  22           H        ILE  22  -0.003  -7.993   4.628
  175    HA   ILE  22           HA       ILE  22  -2.043  -9.696   5.904
  176    HB   ILE  22           HB       ILE  22  -3.712  -8.448   4.563
  177   1HG1  ILE  22          2HG1      ILE  22  -1.451  -6.534   3.961
  178   2HG1  ILE  22          1HG1      ILE  22  -2.052  -7.720   2.808
  179   1HG2  ILE  22          1HG2      ILE  22  -3.162  -6.161   5.827
  180   2HG2  ILE  22          2HG2      ILE  22  -2.027  -7.223   6.662
  181   3HG2  ILE  22          3HG2      ILE  22  -3.750  -7.599   6.664
  182   1HD1  ILE  22          1HD1      ILE  22  -3.026  -5.114   3.358
  183   2HD1  ILE  22          2HD1      ILE  22  -4.279  -6.282   3.777
  184   3HD1  ILE  22          3HD1      ILE  22  -3.587  -6.277   2.155
  185    H    SER  23           H        SER  23  -3.706 -10.388   4.048
  186    HA   SER  23           HA       SER  23  -2.182 -12.122   2.322
  187   1HB   SER  23          2HB       SER  23  -5.180 -11.768   2.555
  188   2HB   SER  23          1HB       SER  23  -4.355 -13.080   1.714
  189    HG   SER  23           HG       SER  23  -4.785 -13.897   3.684
  190    H    ASP  24           H        ASP  24  -2.308 -12.207   0.051
  191    HA   ASP  24           HA       ASP  24  -2.187  -9.737  -1.264
  192   1HB   ASP  24          2HB       ASP  24  -2.169 -11.087  -3.355
  193   2HB   ASP  24          1HB       ASP  24  -1.028 -11.669  -2.147
  194    H    ALA  25           H        ALA  25  -4.830 -11.966  -0.754
  195    HA   ALA  25           HA       ALA  25  -6.607 -10.976  -2.699
  196   1HB   ALA  25          1HB       ALA  25  -7.774 -11.959  -0.175
  197   2HB   ALA  25          2HB       ALA  25  -6.673 -13.060  -1.003
  198   3HB   ALA  25          3HB       ALA  25  -8.097 -12.440  -1.839
  199    H    ALA  26           H        ALA  26  -6.060 -10.067   0.679
  200    HA   ALA  26           HA       ALA  26  -8.175  -8.257   0.955
  201   1HB   ALA  26          1HB       ALA  26  -5.564  -8.649   2.334
  202   2HB   ALA  26          2HB       ALA  26  -7.206  -8.759   2.970
  203   3HB   ALA  26          3HB       ALA  26  -6.484  -7.181   2.656
  204    H    VAL  27           H        VAL  27  -4.961  -7.872  -0.412
  205    HA   VAL  27           HA       VAL  27  -4.987  -5.051  -0.604
  206    HB   VAL  27           HB       VAL  27  -3.493  -6.989  -2.377
  207   1HG1  VAL  27          1HG1      VAL  27  -3.627  -4.589  -3.104
  208   2HG1  VAL  27          2HG1      VAL  27  -1.994  -5.198  -2.830
  209   3HG1  VAL  27          3HG1      VAL  27  -2.764  -4.166  -1.625
  210   1HG2  VAL  27          1HG2      VAL  27  -2.954  -7.544  -0.125
  211   2HG2  VAL  27          2HG2      VAL  27  -2.793  -5.846   0.321
  212   3HG2  VAL  27          3HG2      VAL  27  -1.614  -6.589  -0.760
  213    H    SER  28           H        SER  28  -5.701  -7.585  -3.005
  214    HA   SER  28           HA       SER  28  -6.426  -5.811  -5.076
  215   1HB   SER  28          2HB       SER  28  -5.955  -8.458  -4.995
  216   2HB   SER  28          1HB       SER  28  -7.718  -8.483  -4.992
  217    HG   SER  28           HG       SER  28  -7.749  -7.502  -6.941
  218    H    GLN  29           H        GLN  29  -8.188  -7.170  -2.387
  219    HA   GLN  29           HA       GLN  29 -10.800  -6.609  -3.325
  220   1HB   GLN  29          2HB       GLN  29  -9.722  -7.915  -1.147
  221   2HB   GLN  29          1HB       GLN  29 -10.460  -6.498  -0.420
  222   1HG   GLN  29          2HG       GLN  29 -12.590  -7.100  -1.128
  223   2HG   GLN  29          1HG       GLN  29 -11.970  -8.200  -2.360
  224   1HE2  GLN  29          1HE2      GLN  29 -11.440  -7.803   1.128
  225   2HE2  GLN  29          2HE2      GLN  29 -11.770  -9.448   1.540
  226    H    TRP  30           H        TRP  30  -8.314  -4.607  -2.073
  227    HA   TRP  30           HA       TRP  30  -9.663  -2.583  -0.776
  228   1HB   TRP  30          2HB       TRP  30  -7.232  -2.539  -2.549
  229   2HB   TRP  30          1HB       TRP  30  -7.834  -1.075  -1.783
  230    HD1  TRP  30           HD       TRP  30  -8.598  -3.167   0.877
  231    HE1  TRP  30           1HE      TRP  30  -6.660  -3.504   2.539
  232    HE3  TRP  30           3HE      TRP  30  -4.718  -1.627  -2.075
  233    HZ2  TRP  30           2HZ      TRP  30  -3.857  -3.164   2.588
  234    HZ3  TRP  30           3HZ      TRP  30  -2.442  -1.661  -1.145
  235    HH2  TRP  30           HH       TRP  30  -2.021  -2.415   1.139
  236    H    LYS  31           H        LYS  31 -10.580  -0.618  -1.413
  237    HA   LYS  31           HA       LYS  31 -11.790  -0.686  -4.076
  238   1HB   LYS  31          2HB       LYS  31 -12.440   1.230  -1.843
  239   2HB   LYS  31          1HB       LYS  31 -13.430   0.826  -3.241
  240   1HG   LYS  31          2HG       LYS  31 -13.110  -1.610  -2.058
  241   2HG   LYS  31          1HG       LYS  31 -13.170  -0.528  -0.666
  242   1HD   LYS  31          2HD       LYS  31 -15.210   0.482  -2.047
  243   2HD   LYS  31          1HD       LYS  31 -15.260  -1.173  -2.662
  244   1HE   LYS  31          2HE       LYS  31 -15.320  -1.992  -0.327
  245   2HE   LYS  31          1HE       LYS  31 -15.380  -0.320   0.228
  246   1HZ   LYS  31          1HZ       LYS  31 -17.540  -1.798  -0.207
  247   2HZ   LYS  31          2HZ       LYS  31 -17.380  -1.094  -1.736
  248   3HZ   LYS  31          3HZ       LYS  31 -17.530  -0.113  -0.367
  249    H    GLU  32           H        GLU  32 -12.340   2.044  -4.372
  250    HA   GLU  32           HA       GLU  32 -10.160   2.983  -5.756
  251   1HB   GLU  32          2HB       GLU  32 -12.660   4.147  -4.750
  252   2HB   GLU  32          1HB       GLU  32 -11.380   5.316  -5.028
  253   1HG   GLU  32          2HG       GLU  32 -11.130   4.339  -7.330
  254   2HG   GLU  32          1HG       GLU  32 -12.610   3.428  -7.013
  255    H    VAL  33           H        VAL  33 -10.850   3.218  -2.354
  256    HA   VAL  33           HA       VAL  33  -8.289   4.619  -1.976
  257    HB   VAL  33           HB       VAL  33 -10.690   4.956  -0.178
  258   1HG1  VAL  33          1HG1      VAL  33  -9.331   6.061   1.192
  259   2HG1  VAL  33          2HG1      VAL  33  -8.720   7.061  -0.126
  260   3HG1  VAL  33          3HG1      VAL  33  -7.980   5.496   0.211
  261   1HG2  VAL  33          1HG2      VAL  33  -9.681   7.017  -2.117
  262   2HG2  VAL  33          2HG2      VAL  33 -11.190   7.000  -1.218
  263   3HG2  VAL  33          3HG2      VAL  33 -10.940   5.869  -2.547
  264    H    ILE  34           H        ILE  34  -6.920   3.776  -0.475
  265    HA   ILE  34           HA       ILE  34  -7.404   1.126   0.449
  266    HB   ILE  34           HB       ILE  34  -5.248   1.511   1.771
  267   1HG1  ILE  34          2HG1      ILE  34  -4.991   3.943   0.013
  268   2HG1  ILE  34          1HG1      ILE  34  -5.577   4.054   1.669
  269   1HG2  ILE  34          1HG2      ILE  34  -5.653   0.615  -0.684
  270   2HG2  ILE  34          2HG2      ILE  34  -4.030   0.843  -0.031
  271   3HG2  ILE  34          3HG2      ILE  34  -4.731   2.060  -1.099
  272   1HD1  ILE  34          1HD1      ILE  34  -3.454   2.939   2.388
  273   2HD1  ILE  34          2HD1      ILE  34  -3.270   4.556   1.707
  274   3HD1  ILE  34          3HD1      ILE  34  -2.878   3.138   0.734
  275    HA   PRO  35           HA       PRO  35  -9.363   1.538   4.358
  276   1HB   PRO  35          2HB       PRO  35  -7.109  -0.078   5.457
  277   2HB   PRO  35          1HB       PRO  35  -8.852  -0.333   5.604
  278   1HG   PRO  35          2HG       PRO  35  -7.412  -1.823   3.941
  279   2HG   PRO  35          1HG       PRO  35  -9.027  -1.256   3.477
  280   1HD   PRO  35          2HD       PRO  35  -6.348  -0.271   2.602
  281   2HD   PRO  35          1HD       PRO  35  -7.858  -0.409   1.680
  282    H    GLU  36           H        GLU  36  -8.647   1.865   6.811
  283    HA   GLU  36           HA       GLU  36  -7.097   4.315   6.811
  284   1HB   GLU  36          2HB       GLU  36  -9.274   4.104   8.019
  285   2HB   GLU  36          1HB       GLU  36  -8.507   2.965   9.117
  286   1HG   GLU  36          2HG       GLU  36  -7.121   5.535   8.808
  287   2HG   GLU  36          1HG       GLU  36  -8.713   5.616   9.561
  288    H    LYS  37           H        LYS  37  -7.019   1.188   8.511
  289    HA   LYS  37           HA       LYS  37  -4.566   1.740   9.848
  290   1HB   LYS  37          2HB       LYS  37  -5.827  -0.952   9.310
  291   2HB   LYS  37          1HB       LYS  37  -4.622  -0.585  10.535
  292   1HG   LYS  37          2HG       LYS  37  -6.211   0.836  11.702
  293   2HG   LYS  37          1HG       LYS  37  -7.420   0.525  10.453
  294   1HD   LYS  37          2HD       LYS  37  -7.067  -1.959  11.029
  295   2HD   LYS  37          1HD       LYS  37  -6.299  -1.359  12.501
  296   1HE   LYS  37          2HE       LYS  37  -8.620  -1.830  12.947
  297   2HE   LYS  37          1HE       LYS  37  -8.353  -0.088  13.013
  298   1HZ   LYS  37          1HZ       LYS  37  -9.315  -1.409  10.550
  299   2HZ   LYS  37          2HZ       LYS  37  -9.419   0.223  10.978
  300   3HZ   LYS  37          3HZ       LYS  37 -10.380  -0.920  11.764
  301    H    ASP  38           H        ASP  38  -5.328   0.635   6.682
  302    HA   ASP  38           HA       ASP  38  -2.805  -0.680   6.235
  303   1HB   ASP  38          2HB       ASP  38  -5.237  -0.096   4.633
  304   2HB   ASP  38          1HB       ASP  38  -3.731  -0.278   3.738
  305    H    ALA  39           H        ALA  39  -4.292   2.400   5.294
  306    HA   ALA  39           HA       ALA  39  -2.132   3.394   3.801
  307   1HB   ALA  39          1HB       ALA  39  -3.973   5.154   5.386
  308   2HB   ALA  39          2HB       ALA  39  -4.535   4.278   3.963
  309   3HB   ALA  39          3HB       ALA  39  -3.230   5.456   3.817
  310    H    TYR  40           H        TYR  40  -2.659   3.150   7.225
  311    HA   TYR  40           HA       TYR  40  -0.786   5.135   8.026
  312   1HB   TYR  40          2HB       TYR  40  -2.535   4.366   9.543
  313   2HB   TYR  40          1HB       TYR  40  -1.866   2.732   9.516
  314    HD1  TYR  40           1HD      TYR  40  -0.396   2.094  11.188
  315    HD2  TYR  40           2HD      TYR  40  -0.900   6.237  10.367
  316    HE1  TYR  40           1HE      TYR  40   1.033   2.645  13.114
  317    HE2  TYR  40           2HE      TYR  40   0.527   6.800  12.286
  318    HH   TYR  40           HH       TYR  40   2.587   5.053  13.623
  319    H    ARG  41           H        ARG  41  -0.576   1.573   8.133
  320    HA   ARG  41           HA       ARG  41   2.163   1.487   8.750
  321   1HB   ARG  41          2HB       ARG  41   0.079  -0.420   7.977
  322   2HB   ARG  41          1HB       ARG  41   1.685  -0.886   7.438
  323   1HG   ARG  41          2HG       ARG  41   1.732  -1.856   9.473
  324   2HG   ARG  41          1HG       ARG  41   2.272  -0.248   9.956
  325   1HD   ARG  41          2HD       ARG  41  -0.200   0.277  10.328
  326   2HD   ARG  41          1HD       ARG  41  -0.463  -1.462  10.216
  327    HE   ARG  41           HE       ARG  41   0.656  -0.028  12.423
  328   1HH1  ARG  41          1HH1      ARG  41   0.649  -3.100  10.767
  329   2HH1  ARG  41          2HH1      ARG  41   1.125  -3.998  12.170
  330   1HH2  ARG  41          1HH2      ARG  41   1.280  -1.208  14.270
  331   2HH2  ARG  41          2HH2      ARG  41   1.482  -2.925  14.158
  332    H    LEU  42           H        LEU  42   0.469   1.785   5.716
  333    HA   LEU  42           HA       LEU  42   2.413   0.956   3.920
  334   1HB   LEU  42          2HB       LEU  42   0.242   3.014   3.778
  335   2HB   LEU  42          1HB       LEU  42   1.351   2.811   2.435
  336    HG   LEU  42           HG       LEU  42  -0.168   0.469   3.536
  337   1HD1  LEU  42          1HD1      LEU  42  -2.053   1.563   2.989
  338   2HD1  LEU  42          2HD1      LEU  42  -1.588   1.146   1.340
  339   3HD1  LEU  42          3HD1      LEU  42  -1.206   2.741   1.989
  340   1HD2  LEU  42          1HD2      LEU  42   0.614  -0.644   1.750
  341   2HD2  LEU  42          2HD2      LEU  42   1.829   0.633   1.701
  342   3HD2  LEU  42          3HD2      LEU  42   0.401   0.736   0.672
  343    H    GLU  43           H        GLU  43   2.086   4.030   5.607
  344    HA   GLU  43           HA       GLU  43   4.088   5.421   4.176
  345   1HB   GLU  43          2HB       GLU  43   2.395   6.559   5.540
  346   2HB   GLU  43          1HB       GLU  43   3.088   5.856   6.996
  347   1HG   GLU  43          2HG       GLU  43   5.248   7.039   6.325
  348   2HG   GLU  43          1HG       GLU  43   4.248   7.950   5.195
  349    H    ILE  44           H        ILE  44   4.239   3.057   6.693
  350    HA   ILE  44           HA       ILE  44   6.937   3.749   7.484
  351    HB   ILE  44           HB       ILE  44   5.381   1.282   8.235
  352   1HG1  ILE  44          2HG1      ILE  44   5.231   4.100   9.200
  353   2HG1  ILE  44          1HG1      ILE  44   3.959   2.891   9.069
  354   1HG2  ILE  44          1HG2      ILE  44   6.977   0.878   9.825
  355   2HG2  ILE  44          2HG2      ILE  44   7.431   2.577   9.959
  356   3HG2  ILE  44          3HG2      ILE  44   7.973   1.626   8.576
  357   1HD1  ILE  44          1HD1      ILE  44   6.094   3.001  11.183
  358   2HD1  ILE  44          2HD1      ILE  44   4.843   1.764  11.052
  359   3HD1  ILE  44          3HD1      ILE  44   4.396   3.440  11.381
  360    H    VAL  45           H        VAL  45   5.342   1.022   5.843
  361    HA   VAL  45           HA       VAL  45   7.656  -0.475   5.332
  362    HB   VAL  45           HB       VAL  45   6.279  -1.414   3.379
  363   1HG1  VAL  45          1HG1      VAL  45   6.217  -2.842   5.135
  364   2HG1  VAL  45          2HG1      VAL  45   4.539  -2.304   5.209
  365   3HG1  VAL  45          3HG1      VAL  45   5.742  -1.587   6.280
  366   1HG2  VAL  45          1HG2      VAL  45   3.985  -0.877   3.231
  367   2HG2  VAL  45          2HG2      VAL  45   4.842   0.664   3.249
  368   3HG2  VAL  45          3HG2      VAL  45   4.036   0.086   4.708
  369    H    THR  46           H        THR  46   6.120   2.114   3.515
  370    HA   THR  46           HA       THR  46   7.866   1.850   1.256
  371    HB   THR  46           HB       THR  46   6.753   3.957   0.525
  372    HG1  THR  46           1HG      THR  46   4.968   4.640   1.829
  373   1HG2  THR  46          1HG2      THR  46   5.752   1.603   0.226
  374   2HG2  THR  46          2HG2      THR  46   4.728   3.014  -0.045
  375   3HG2  THR  46          3HG2      THR  46   4.607   2.115   1.467
  376    H    ALA  47           H        ALA  47   8.644   2.771   4.233
  377    HA   ALA  47           HA       ALA  47  10.349   3.975   5.130
  378   1HB   ALA  47          1HB       ALA  47  12.041   3.452   3.751
  379   2HB   ALA  47          2HB       ALA  47  11.836   5.098   3.151
  380   3HB   ALA  47          3HB       ALA  47  11.085   3.748   2.299
  381    H    GLY  48           H        GLY  48   7.769   5.194   4.493
  382   1HA   GLY  48          2HA       GLY  48   6.889   7.288   4.944
  383   2HA   GLY  48          1HA       GLY  48   8.523   7.930   4.983
  384    H    ALA  49           H        ALA  49   8.005   6.169   2.156
  385    HA   ALA  49           HA       ALA  49   8.259   8.429   0.495
  386   1HB   ALA  49          1HB       ALA  49   7.324   6.566  -1.216
  387   2HB   ALA  49          2HB       ALA  49   7.865   5.537   0.109
  388   3HB   ALA  49          3HB       ALA  49   8.997   6.644  -0.666
  389    H    LEU  50           H        LEU  50   5.470   6.532   1.513
  390    HA   LEU  50           HA       LEU  50   3.707   8.394   0.073
  391   1HB   LEU  50          2HB       LEU  50   3.448   5.546   0.918
  392   2HB   LEU  50          1HB       LEU  50   1.992   6.519   0.820
  393    HG   LEU  50           HG       LEU  50   3.924   6.025  -1.448
  394   1HD1  LEU  50          1HD1      LEU  50   2.826   4.022  -1.293
  395   2HD1  LEU  50          2HD1      LEU  50   1.710   4.918  -2.322
  396   3HD1  LEU  50          3HD1      LEU  50   1.376   4.745  -0.599
  397   1HD2  LEU  50          1HD2      LEU  50   1.619   7.842  -1.093
  398   2HD2  LEU  50          2HD2      LEU  50   1.712   6.966  -2.621
  399   3HD2  LEU  50          3HD2      LEU  50   3.047   8.002  -2.116
  400    H    LYS  51           H        LYS  51   2.707   9.903   1.218
  401    HA   LYS  51           HA       LYS  51   2.814   9.872   4.095
  402   1HB   LYS  51          2HB       LYS  51   1.461  11.842   2.241
  403   2HB   LYS  51          1HB       LYS  51   1.784  12.082   3.953
  404   1HG   LYS  51          2HG       LYS  51   3.674  13.068   3.339
  405   2HG   LYS  51          1HG       LYS  51   4.264  11.464   2.899
  406   1HD   LYS  51          2HD       LYS  51   3.839  11.781   0.650
  407   2HD   LYS  51          1HD       LYS  51   2.614  13.015   0.949
  408   1HE   LYS  51          2HE       LYS  51   4.828  14.193   1.998
  409   2HE   LYS  51          1HE       LYS  51   5.528  13.266   0.671
  410   1HZ   LYS  51          1HZ       LYS  51   3.688  14.311  -0.725
  411   2HZ   LYS  51          2HZ       LYS  51   4.977  15.307  -0.266
  412   3HZ   LYS  51          3HZ       LYS  51   3.498  15.410   0.549
  413    H    TYR  52           H        TYR  52   1.217   9.438   5.506
  414    HA   TYR  52           HA       TYR  52  -1.247   8.308   4.431
  415   1HB   TYR  52          2HB       TYR  52  -0.272   6.876   6.023
  416   2HB   TYR  52          1HB       TYR  52   0.116   8.202   7.112
  417    HD1  TYR  52           1HD      TYR  52  -3.071   7.073   5.485
  418    HD2  TYR  52           2HD      TYR  52  -1.006   7.952   9.101
  419    HE1  TYR  52           1HE      TYR  52  -5.116   6.617   6.757
  420    HE2  TYR  52           2HE      TYR  52  -3.054   7.506  10.383
  421    HH   TYR  52           HH       TYR  52  -6.094   7.254   8.966
  422    H    GLN  53           H        GLN  53  -3.146   9.317   4.489
  423    HA   GLN  53           HA       GLN  53  -3.390  11.714   6.185
  424   1HB   GLN  53          2HB       GLN  53  -4.740  11.234   3.523
  425   2HB   GLN  53          1HB       GLN  53  -4.831  12.696   4.493
  426   1HG   GLN  53          2HG       GLN  53  -2.234  11.650   3.420
  427   2HG   GLN  53          1HG       GLN  53  -3.277  12.724   2.490
  428   1HE2  GLN  53          1HE2      GLN  53  -0.552  13.043   3.668
  429   2HE2  GLN  53          2HE2      GLN  53  -0.640  14.496   4.598
  430    H    GLU  54           H        GLU  54  -4.614  11.187   7.867
  431    HA   GLU  54           HA       GLU  54  -6.663   9.177   7.706
  432   1HB   GLU  54          2HB       GLU  54  -7.026   9.658  10.078
  433   2HB   GLU  54          1HB       GLU  54  -5.318   9.422   9.729
  434   1HG   GLU  54          2HG       GLU  54  -5.710  12.153   9.441
  435   2HG   GLU  54          1HG       GLU  54  -6.679  11.710  10.845
  436    H    ASN  55           H        ASN  55  -6.683  12.219   6.567
  437    HA   ASN  55           HA       ASN  55  -8.897  13.498   7.607
  438   1HB   ASN  55          2HB       ASN  55  -7.764  13.447   4.816
  439   2HB   ASN  55          1HB       ASN  55  -9.139  14.460   5.245
  440   1HD2  ASN  55          1HD2      ASN  55  -5.923  14.483   4.827
  441   2HD2  ASN  55          2HD2      ASN  55  -5.485  15.785   5.874
  442    H    ALA  56           H        ALA  56  -8.993  11.713   4.527
  443    HA   ALA  56           HA       ALA  56 -11.800  11.450   4.527
  444   1HB   ALA  56          1HB       ALA  56  -9.936  11.145   2.641
  445   2HB   ALA  56          2HB       ALA  56 -11.550  10.446   2.509
  446   3HB   ALA  56          3HB       ALA  56 -10.190   9.449   3.048
  447    H    TYR  57           H        TYR  57  -9.377   9.760   6.232
  448    HA   TYR  57           HA       TYR  57 -11.020   7.377   6.599
  449   1HB   TYR  57          2HB       TYR  57  -8.267   8.018   7.670
  450   2HB   TYR  57          1HB       TYR  57  -9.081   6.461   7.769
  451    HD1  TYR  57           1HD      TYR  57 -10.110   5.932   5.190
  452    HD2  TYR  57           2HD      TYR  57  -6.487   7.910   6.194
  453    HE1  TYR  57           1HE      TYR  57  -9.176   5.290   3.014
  454    HE2  TYR  57           2HE      TYR  57  -5.534   7.274   4.019
  455    HH   TYR  57           HH       TYR  57  -7.160   5.059   1.879
  456    H    ARG  58           H        ARG  58 -11.570  10.159   7.740
  457    HA   ARG  58           HA       ARG  58 -11.360   9.722  10.596
  458   1HB   ARG  58          2HB       ARG  58 -11.110  11.980   9.429
  459   2HB   ARG  58          1HB       ARG  58 -12.850  11.951   9.222
  460   1HG   ARG  58          2HG       ARG  58 -12.420  11.381  11.921
  461   2HG   ARG  58          1HG       ARG  58 -11.290  12.675  11.526
  462   1HD   ARG  58          2HD       ARG  58 -14.010  13.006  10.457
  463   2HD   ARG  58          1HD       ARG  58 -13.880  13.069  12.214
  464    HE   ARG  58           HE       ARG  58 -11.960  14.710  10.847
  465   1HH1  ARG  58          1HH1      ARG  58 -15.200  14.567  12.129
  466   2HH1  ARG  58          2HH1      ARG  58 -15.330  16.284  12.316
  467   1HH2  ARG  58          1HH2      ARG  58 -12.130  16.967  11.093
  468   2HH2  ARG  58          2HH2      ARG  58 -13.590  17.646  11.727
  469    H    GLN  59           H        GLN  59 -13.760   9.516   8.070
  470    HA   GLN  59           HA       GLN  59 -15.560   8.152   9.900
  471   1HB   GLN  59          2HB       GLN  59 -16.030  10.854   8.870
  472   2HB   GLN  59          1HB       GLN  59 -17.350   9.742   8.545
  473   1HG   GLN  59          2HG       GLN  59 -18.080  10.050  10.604
  474   2HG   GLN  59          1HG       GLN  59 -16.600   9.324  11.220
  475   1HE2  GLN  59          1HE2      GLN  59 -16.910  10.744  13.040
  476   2HE2  GLN  59          2HE2      GLN  59 -16.370  12.385  12.943
  477    H    ALA  60           H        ALA  60 -16.050   6.318   8.912
  478    HA   ALA  60           HA       ALA  60 -15.970   6.165   6.001
  479   1HB   ALA  60          1HB       ALA  60 -16.450   3.650   6.654
  480   2HB   ALA  60          2HB       ALA  60 -15.850   4.191   8.221
  481   3HB   ALA  60          3HB       ALA  60 -14.840   4.347   6.785
  482    H    ALA  61           H        ALA  61 -18.150   4.783   8.467
  483    HA   ALA  61           HA       ALA  61 -20.450   5.700   6.895
  484   1HB   ALA  61          1HB       ALA  61 -20.220   2.864   7.885
  485   2HB   ALA  61          2HB       ALA  61 -19.890   3.361   6.226
  486   3HB   ALA  61          3HB       ALA  61 -21.500   3.557   6.895
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  -6.353   8.447   0.640
    2   2H    MET   1          2HT       MET   1  -4.765   8.625   1.265
    3   3H    MET   1          3HT       MET   1  -5.480   7.068   1.164
    4    HA   MET   1           HA       MET   1  -4.996   8.766  -1.179
    5   1HB   MET   1          2HB       MET   1  -2.995   7.216  -1.479
    6   2HB   MET   1          1HB       MET   1  -2.847   8.460  -0.246
    7   1HG   MET   1          2HG       MET   1  -3.914   5.902   0.707
    8   2HG   MET   1          1HG       MET   1  -2.256   5.843   0.113
    9   1HE   MET   1          1HE       MET   1  -0.625   5.766   2.655
   10   2HE   MET   1          2HE       MET   1  -0.114   7.445   2.470
   11   3HE   MET   1          3HE       MET   1  -0.426   6.454   1.044
   12    H    TYR   2           H        TYR   2  -5.038   7.519  -3.139
   13    HA   TYR   2           HA       TYR   2  -7.057   5.453  -3.062
   14   1HB   TYR   2          2HB       TYR   2  -5.737   7.080  -5.180
   15   2HB   TYR   2          1HB       TYR   2  -6.444   5.539  -5.654
   16    HD1  TYR   2           1HD      TYR   2  -8.299   6.201  -6.926
   17    HD2  TYR   2           2HD      TYR   2  -7.688   7.917  -3.082
   18    HE1  TYR   2           1HE      TYR   2 -10.510   7.253  -7.051
   19    HE2  TYR   2           2HE      TYR   2  -9.905   8.975  -3.195
   20    HH   TYR   2           HH       TYR   2 -11.530   9.662  -4.847
   21    H    LYS   3           H        LYS   3  -6.802   3.403  -4.199
   22    HA   LYS   3           HA       LYS   3  -4.514   1.993  -3.331
   23   1HB   LYS   3          2HB       LYS   3  -6.861   1.081  -3.752
   24   2HB   LYS   3          1HB       LYS   3  -6.430   1.049  -5.457
   25   1HG   LYS   3          2HG       LYS   3  -4.349  -0.226  -4.019
   26   2HG   LYS   3          1HG       LYS   3  -5.887  -0.876  -3.444
   27   1HD   LYS   3          2HD       LYS   3  -5.508  -0.572  -6.377
   28   2HD   LYS   3          1HD       LYS   3  -4.644  -1.876  -5.563
   29   1HE   LYS   3          2HE       LYS   3  -6.506  -3.084  -5.304
   30   2HE   LYS   3          1HE       LYS   3  -7.427  -1.691  -4.739
   31   1HZ   LYS   3          1HZ       LYS   3  -6.861  -2.360  -7.578
   32   2HZ   LYS   3          2HZ       LYS   3  -7.731  -1.012  -7.043
   33   3HZ   LYS   3          3HZ       LYS   3  -8.342  -2.568  -6.788
   34    H    LYS   4           H        LYS   4  -5.411   3.450  -6.388
   35    HA   LYS   4           HA       LYS   4  -3.642   2.259  -8.135
   36   1HB   LYS   4          2HB       LYS   4  -5.350   3.870  -8.831
   37   2HB   LYS   4          1HB       LYS   4  -4.463   5.168  -8.043
   38   1HG   LYS   4          2HG       LYS   4  -2.820   3.707  -9.938
   39   2HG   LYS   4          1HG       LYS   4  -4.258   4.407 -10.686
   40   1HD   LYS   4          2HD       LYS   4  -2.351   5.948  -8.932
   41   2HD   LYS   4          1HD       LYS   4  -2.248   5.899 -10.693
   42   1HE   LYS   4          2HE       LYS   4  -4.803   6.593 -10.472
   43   2HE   LYS   4          1HE       LYS   4  -4.231   7.238  -8.934
   44   1HZ   LYS   4          1HZ       LYS   4  -4.138   8.589 -11.219
   45   2HZ   LYS   4          2HZ       LYS   4  -2.607   7.871 -11.256
   46   3HZ   LYS   4          3HZ       LYS   4  -3.052   8.846  -9.947
   47    H    ASP   5           H        ASP   5  -3.041   5.010  -5.969
   48    HA   ASP   5           HA       ASP   5  -0.414   5.543  -6.795
   49   1HB   ASP   5          2HB       ASP   5  -1.977   6.915  -5.248
   50   2HB   ASP   5          1HB       ASP   5  -1.329   5.913  -3.953
   51    H    VAL   6           H        VAL   6  -1.573   3.600  -4.037
   52    HA   VAL   6           HA       VAL   6   0.889   2.738  -3.109
   53    HB   VAL   6           HB       VAL   6  -1.534   0.963  -3.061
   54   1HG1  VAL   6          1HG1      VAL   6   0.504   0.116  -2.076
   55   2HG1  VAL   6          2HG1      VAL   6  -0.686   0.450  -0.820
   56   3HG1  VAL   6          3HG1      VAL   6   0.651   1.567  -1.089
   57   1HG2  VAL   6          1HG2      VAL   6  -1.206   3.640  -1.818
   58   2HG2  VAL   6          2HG2      VAL   6  -1.935   2.367  -0.839
   59   3HG2  VAL   6          3HG2      VAL   6  -2.665   2.822  -2.378
   60    H    ILE   7           H        ILE   7  -1.310   1.171  -5.424
   61    HA   ILE   7           HA       ILE   7   0.246  -1.096  -5.934
   62    HB   ILE   7           HB       ILE   7  -1.708   0.345  -7.731
   63   1HG1  ILE   7          2HG1      ILE   7  -2.746  -0.481  -5.708
   64   2HG1  ILE   7          1HG1      ILE   7  -3.224  -1.515  -7.050
   65   1HG2  ILE   7          1HG2      ILE   7  -0.232  -0.998  -9.094
   66   2HG2  ILE   7          2HG2      ILE   7  -1.823  -1.754  -9.010
   67   3HG2  ILE   7          3HG2      ILE   7  -0.489  -2.394  -8.047
   68   1HD1  ILE   7          1HD1      ILE   7  -1.495  -3.137  -6.351
   69   2HD1  ILE   7          2HD1      ILE   7  -2.747  -2.866  -5.137
   70   3HD1  ILE   7          3HD1      ILE   7  -1.160  -2.120  -4.951
   71    H    ASP   8           H        ASP   8   0.450   2.164  -7.171
   72    HA   ASP   8           HA       ASP   8   2.242   1.523  -9.317
   73   1HB   ASP   8          2HB       ASP   8   0.706   3.755  -8.553
   74   2HB   ASP   8          1HB       ASP   8   2.383   4.288  -8.493
   75    H    HIS   9           H        HIS   9   2.523   2.263  -5.952
   76    HA   HIS   9           HA       HIS   9   5.324   2.935  -6.102
   77   1HB   HIS   9          2HB       HIS   9   4.023   4.057  -4.412
   78   2HB   HIS   9          1HB       HIS   9   3.449   2.523  -3.769
   79    HD1  HIS   9           1HD      HIS   9   6.127   4.988  -3.425
   80    HD2  HIS   9           2HD      HIS   9   5.525   1.002  -2.418
   81    HE1  HIS   9           1HE      HIS   9   7.897   4.450  -1.723
   82    HE2  HIS   9           2HE      HIS   9   7.573   2.008  -1.200
   83    H    PHE  10           H        PHE  10   3.330   0.165  -5.391
   84    HA   PHE  10           HA       PHE  10   5.630  -1.408  -4.531
   85   1HB   PHE  10          2HB       PHE  10   2.664  -1.845  -4.505
   86   2HB   PHE  10          1HB       PHE  10   3.765  -3.204  -4.316
   87    HD1  PHE  10           1HD      PHE  10   5.240  -3.343  -2.378
   88    HD2  PHE  10           2HD      PHE  10   2.368  -0.234  -2.769
   89    HE1  PHE  10           1HE      PHE  10   5.476  -2.831   0.020
   90    HE2  PHE  10           2HE      PHE  10   2.594   0.288  -0.376
   91    HZ   PHE  10           HZ       PHE  10   4.151  -1.013   1.023
   92    H    GLY  11           H        GLY  11   3.229  -1.288  -7.126
   93   1HA   GLY  11          2HA       GLY  11   3.716  -1.875  -9.370
   94   2HA   GLY  11          1HA       GLY  11   5.055  -2.858  -8.796
   95    H    THR  12           H        THR  12   3.481  -4.184  -6.741
   96    HA   THR  12           HA       THR  12   1.434  -5.624  -8.229
   97    HB   THR  12           HB       THR  12   2.531  -7.816  -7.422
   98    HG1  THR  12           1HG      THR  12   4.760  -6.066  -7.338
   99   1HG2  THR  12          1HG2      THR  12   3.399  -8.184  -9.464
  100   2HG2  THR  12          2HG2      THR  12   4.313  -6.675  -9.470
  101   3HG2  THR  12          3HG2      THR  12   2.587  -6.661  -9.828
  102    H    GLN  13           H        GLN  13  -0.044  -6.723  -6.914
  103    HA   GLN  13           HA       GLN  13  -0.577  -5.610  -4.420
  104   1HB   GLN  13          2HB       GLN  13  -1.500  -8.255  -5.556
  105   2HB   GLN  13          1HB       GLN  13  -2.198  -7.472  -4.144
  106   1HG   GLN  13          2HG       GLN  13  -3.347  -5.981  -5.369
  107   2HG   GLN  13          1HG       GLN  13  -2.069  -5.820  -6.572
  108   1HE2  GLN  13          1HE2      GLN  13  -4.807  -7.728  -5.540
  109   2HE2  GLN  13          2HE2      GLN  13  -5.070  -8.525  -7.049
  110    H    ARG  14           H        ARG  14   0.803  -8.801  -5.183
  111    HA   ARG  14           HA       ARG  14   1.116  -9.893  -2.715
  112   1HB   ARG  14          2HB       ARG  14   2.603 -10.066  -5.255
  113   2HB   ARG  14          1HB       ARG  14   3.492 -10.601  -3.835
  114   1HG   ARG  14          2HG       ARG  14   1.893 -12.272  -3.346
  115   2HG   ARG  14          1HG       ARG  14   0.742 -11.606  -4.506
  116   1HD   ARG  14          2HD       ARG  14   3.432 -12.551  -5.414
  117   2HD   ARG  14          1HD       ARG  14   2.130 -13.704  -5.141
  118    HE   ARG  14           HE       ARG  14   0.980 -12.823  -6.962
  119   1HH1  ARG  14          1HH1      ARG  14   3.924 -11.032  -6.371
  120   2HH1  ARG  14          2HH1      ARG  14   3.892 -10.240  -7.909
  121   1HH2  ARG  14          1HH2      ARG  14   0.945 -11.777  -8.979
  122   2HH2  ARG  14          2HH2      ARG  14   2.203 -10.661  -9.388
  123    H    ALA  15           H        ALA  15   3.231  -7.463  -4.193
  124    HA   ALA  15           HA       ALA  15   5.214  -7.408  -2.221
  125   1HB   ALA  15          1HB       ALA  15   4.516  -4.834  -3.485
  126   2HB   ALA  15          2HB       ALA  15   4.901  -6.162  -4.579
  127   3HB   ALA  15          3HB       ALA  15   6.072  -5.655  -3.362
  128    H    VAL  16           H        VAL  16   2.305  -5.386  -2.557
  129    HA   VAL  16           HA       VAL  16   2.645  -3.842  -0.271
  130    HB   VAL  16           HB       VAL  16  -0.131  -4.626  -1.003
  131   1HG1  VAL  16          1HG1      VAL  16   0.078  -2.919   0.597
  132   2HG1  VAL  16          2HG1      VAL  16  -0.337  -2.105  -0.911
  133   3HG1  VAL  16          3HG1      VAL  16   1.328  -2.097  -0.333
  134   1HG2  VAL  16          1HG2      VAL  16   0.601  -4.562  -3.211
  135   2HG2  VAL  16          2HG2      VAL  16   1.799  -3.310  -2.881
  136   3HG2  VAL  16          3HG2      VAL  16   0.085  -2.899  -2.923
  137    H    ALA  17           H        ALA  17   0.897  -6.909  -0.693
  138    HA   ALA  17           HA       ALA  17  -0.113  -7.158   1.890
  139   1HB   ALA  17          1HB       ALA  17  -0.083  -9.639   1.398
  140   2HB   ALA  17          2HB       ALA  17   0.686  -9.233  -0.135
  141   3HB   ALA  17          3HB       ALA  17  -0.929  -8.627   0.228
  142    H    LYS  18           H        LYS  18   3.035  -8.080   0.579
  143    HA   LYS  18           HA       LYS  18   3.936  -9.364   2.961
  144   1HB   LYS  18          2HB       LYS  18   4.999  -8.763   0.314
  145   2HB   LYS  18          1HB       LYS  18   6.210  -8.577   1.573
  146   1HG   LYS  18          2HG       LYS  18   6.502 -10.766   1.619
  147   2HG   LYS  18          1HG       LYS  18   4.813 -10.986   2.083
  148   1HD   LYS  18          2HD       LYS  18   4.499 -10.560  -0.545
  149   2HD   LYS  18          1HD       LYS  18   6.115 -11.267  -0.559
  150   1HE   LYS  18          2HE       LYS  18   4.446 -13.001  -0.837
  151   2HE   LYS  18          1HE       LYS  18   5.262 -13.190   0.713
  152   1HZ   LYS  18          1HZ       LYS  18   2.828 -11.596   0.719
  153   2HZ   LYS  18          2HZ       LYS  18   3.394 -12.711   1.857
  154   3HZ   LYS  18          3HZ       LYS  18   2.632 -13.254   0.448
  155    H    ALA  19           H        ALA  19   3.932  -6.087   1.787
  156    HA   ALA  19           HA       ALA  19   5.911  -5.107   3.608
  157   1HB   ALA  19          1HB       ALA  19   4.040  -3.105   2.647
  158   2HB   ALA  19          2HB       ALA  19   4.662  -4.123   1.347
  159   3HB   ALA  19          3HB       ALA  19   5.780  -3.244   2.391
  160    H    LEU  20           H        LEU  20   2.359  -4.796   3.460
  161    HA   LEU  20           HA       LEU  20   2.245  -3.645   6.098
  162   1HB   LEU  20          2HB       LEU  20  -0.129  -4.732   4.627
  163   2HB   LEU  20          1HB       LEU  20  -0.052  -3.386   5.746
  164    HG   LEU  20           HG       LEU  20   1.047  -3.399   2.934
  165   1HD1  LEU  20          1HD1      LEU  20  -0.769  -1.580   2.733
  166   2HD1  LEU  20          2HD1      LEU  20  -1.465  -2.334   4.167
  167   3HD1  LEU  20          3HD1      LEU  20  -1.259  -3.274   2.690
  168   1HD2  LEU  20          1HD2      LEU  20   2.081  -1.957   4.920
  169   2HD2  LEU  20          2HD2      LEU  20   0.722  -0.912   4.511
  170   3HD2  LEU  20          3HD2      LEU  20   1.915  -1.330   3.281
  171    H    GLY  21           H        GLY  21   1.723  -6.793   4.642
  172   1HA   GLY  21          2HA       GLY  21   1.913  -8.845   5.761
  173   2HA   GLY  21          1HA       GLY  21   1.778  -7.995   7.294
  174    H    ILE  22           H        ILE  22  -0.332  -8.071   4.430
  175    HA   ILE  22           HA       ILE  22  -2.528  -8.892   6.212
  176    HB   ILE  22           HB       ILE  22  -3.895  -7.981   4.103
  177   1HG1  ILE  22          2HG1      ILE  22  -1.420  -6.238   4.162
  178   2HG1  ILE  22          1HG1      ILE  22  -1.833  -7.354   2.865
  179   1HG2  ILE  22          1HG2      ILE  22  -4.604  -6.968   5.963
  180   2HG2  ILE  22          2HG2      ILE  22  -3.565  -5.645   5.437
  181   3HG2  ILE  22          3HG2      ILE  22  -2.976  -6.810   6.622
  182   1HD1  ILE  22          1HD1      ILE  22  -3.689  -6.063   2.215
  183   2HD1  ILE  22          2HD1      ILE  22  -2.372  -4.921   2.481
  184   3HD1  ILE  22          3HD1      ILE  22  -3.638  -5.107   3.695
  185    H    SER  23           H        SER  23  -2.867  -8.911   2.742
  186    HA   SER  23           HA       SER  23  -2.130 -11.567   2.222
  187   1HB   SER  23          2HB       SER  23  -4.881 -11.136   3.270
  188   2HB   SER  23          1HB       SER  23  -4.706 -12.238   1.904
  189    HG   SER  23           HG       SER  23  -4.510 -13.314   3.918
  190    H    ASP  24           H        ASP  24  -2.663 -12.235   0.068
  191    HA   ASP  24           HA       ASP  24  -2.635 -10.171  -1.814
  192   1HB   ASP  24          2HB       ASP  24  -2.705 -13.086  -1.851
  193   2HB   ASP  24          1HB       ASP  24  -3.573 -12.377  -3.209
  194    H    ALA  25           H        ALA  25  -5.271 -11.605  -0.150
  195    HA   ALA  25           HA       ALA  25  -7.267 -10.929  -2.117
  196   1HB   ALA  25          1HB       ALA  25  -7.230 -12.242   0.526
  197   2HB   ALA  25          2HB       ALA  25  -8.088 -12.683  -0.950
  198   3HB   ALA  25          3HB       ALA  25  -8.719 -11.404   0.088
  199    H    ALA  26           H        ALA  26  -6.247  -9.672   1.044
  200    HA   ALA  26           HA       ALA  26  -8.137  -7.637   1.299
  201   1HB   ALA  26          1HB       ALA  26  -6.895  -6.880   3.072
  202   2HB   ALA  26          2HB       ALA  26  -5.355  -7.193   2.272
  203   3HB   ALA  26          3HB       ALA  26  -6.292  -8.531   2.936
  204    H    VAL  27           H        VAL  27  -4.939  -7.594  -0.235
  205    HA   VAL  27           HA       VAL  27  -4.945  -4.853  -0.908
  206    HB   VAL  27           HB       VAL  27  -3.504  -7.093  -2.333
  207   1HG1  VAL  27          1HG1      VAL  27  -3.530  -5.040  -3.621
  208   2HG1  VAL  27          2HG1      VAL  27  -1.914  -5.326  -2.972
  209   3HG1  VAL  27          3HG1      VAL  27  -2.966  -4.127  -2.220
  210   1HG2  VAL  27          1HG2      VAL  27  -2.688  -7.337  -0.206
  211   2HG2  VAL  27          2HG2      VAL  27  -2.955  -5.643   0.209
  212   3HG2  VAL  27          3HG2      VAL  27  -1.595  -6.096  -0.818
  213    H    SER  28           H        SER  28  -5.933  -7.744  -2.706
  214    HA   SER  28           HA       SER  28  -6.586  -6.357  -5.095
  215   1HB   SER  28          2HB       SER  28  -6.207  -8.945  -4.576
  216   2HB   SER  28          1HB       SER  28  -7.963  -8.916  -4.433
  217    HG   SER  28           HG       SER  28  -7.950  -9.016  -6.525
  218    H    GLN  29           H        GLN  29  -8.310  -7.054  -2.149
  219    HA   GLN  29           HA       GLN  29 -10.890  -6.381  -3.228
  220   1HB   GLN  29          2HB       GLN  29  -9.891  -6.958  -0.447
  221   2HB   GLN  29          1HB       GLN  29 -11.540  -6.447  -0.755
  222   1HG   GLN  29          2HG       GLN  29 -11.980  -8.391  -2.051
  223   2HG   GLN  29          1HG       GLN  29 -10.280  -8.853  -2.043
  224   1HE2  GLN  29          1HE2      GLN  29 -11.420 -10.873  -1.281
  225   2HE2  GLN  29          2HE2      GLN  29 -11.610 -11.060   0.426
  226    H    TRP  30           H        TRP  30  -8.240  -4.587  -2.175
  227    HA   TRP  30           HA       TRP  30  -9.330  -2.461  -0.776
  228   1HB   TRP  30          2HB       TRP  30  -7.008  -2.684  -2.664
  229   2HB   TRP  30          1HB       TRP  30  -7.459  -1.118  -2.002
  230    HD1  TRP  30           HD       TRP  30  -8.241  -3.238   0.751
  231    HE1  TRP  30           1HE      TRP  30  -6.284  -3.474   2.404
  232    HE3  TRP  30           3HE      TRP  30  -4.452  -1.507  -2.217
  233    HZ2  TRP  30           2HZ      TRP  30  -3.503  -2.992   2.447
  234    HZ3  TRP  30           3HZ      TRP  30  -2.175  -1.426  -1.292
  235    HH2  TRP  30           HH       TRP  30  -1.712  -2.152   0.992
  236    H    LYS  31           H        LYS  31 -10.690  -0.869  -1.255
  237    HA   LYS  31           HA       LYS  31 -11.780  -0.695  -3.925
  238   1HB   LYS  31          2HB       LYS  31 -12.640  -0.019  -1.259
  239   2HB   LYS  31          1HB       LYS  31 -12.850   1.367  -2.321
  240   1HG   LYS  31          2HG       LYS  31 -14.160   0.006  -3.855
  241   2HG   LYS  31          1HG       LYS  31 -13.930  -1.402  -2.817
  242   1HD   LYS  31          2HD       LYS  31 -15.300  -0.557  -1.147
  243   2HD   LYS  31          1HD       LYS  31 -15.120   1.108  -1.708
  244   1HE   LYS  31          2HE       LYS  31 -16.370  -0.783  -3.605
  245   2HE   LYS  31          1HE       LYS  31 -17.310  -0.403  -2.163
  246   1HZ   LYS  31          1HZ       LYS  31 -16.430   1.385  -4.328
  247   2HZ   LYS  31          2HZ       LYS  31 -16.710   2.023  -2.788
  248   3HZ   LYS  31          3HZ       LYS  31 -17.960   1.233  -3.617
  249    H    GLU  32           H        GLU  32 -12.440   1.979  -4.132
  250    HA   GLU  32           HA       GLU  32 -10.310   3.096  -5.448
  251   1HB   GLU  32          2HB       GLU  32 -12.920   3.947  -4.609
  252   2HB   GLU  32          1HB       GLU  32 -11.780   5.269  -4.404
  253   1HG   GLU  32          2HG       GLU  32 -11.570   5.589  -6.604
  254   2HG   GLU  32          1HG       GLU  32 -11.530   3.861  -6.952
  255    H    VAL  33           H        VAL  33 -10.970   3.105  -2.034
  256    HA   VAL  33           HA       VAL  33  -8.499   4.647  -1.608
  257    HB   VAL  33           HB       VAL  33 -10.860   4.756   0.253
  258   1HG1  VAL  33          1HG1      VAL  33  -8.780   6.856   0.109
  259   2HG1  VAL  33          2HG1      VAL  33  -8.343   5.315   0.844
  260   3HG1  VAL  33          3HG1      VAL  33  -9.687   6.254   1.495
  261   1HG2  VAL  33          1HG2      VAL  33 -11.830   5.908  -1.452
  262   2HG2  VAL  33          2HG2      VAL  33 -10.280   6.312  -2.197
  263   3HG2  VAL  33          3HG2      VAL  33 -10.840   7.214  -0.791
  264    H    ILE  34           H        ILE  34  -7.045   3.751  -0.265
  265    HA   ILE  34           HA       ILE  34  -7.380   1.067   0.594
  266    HB   ILE  34           HB       ILE  34  -5.195   1.404   1.764
  267   1HG1  ILE  34          2HG1      ILE  34  -5.308   4.162   0.526
  268   2HG1  ILE  34          1HG1      ILE  34  -5.560   3.835   2.238
  269   1HG2  ILE  34          1HG2      ILE  34  -3.891   1.651  -0.284
  270   2HG2  ILE  34          2HG2      ILE  34  -5.308   2.292  -1.113
  271   3HG2  ILE  34          3HG2      ILE  34  -5.302   0.625  -0.541
  272   1HD1  ILE  34          1HD1      ILE  34  -3.052   3.512   0.630
  273   2HD1  ILE  34          2HD1      ILE  34  -3.257   2.780   2.220
  274   3HD1  ILE  34          3HD1      ILE  34  -3.335   4.533   2.039
  275    HA   PRO  35           HA       PRO  35  -9.219   1.284   4.586
  276   1HB   PRO  35          2HB       PRO  35  -6.908  -0.346   5.534
  277   2HB   PRO  35          1HB       PRO  35  -8.643  -0.638   5.716
  278   1HG   PRO  35          2HG       PRO  35  -7.225  -2.024   3.945
  279   2HG   PRO  35          1HG       PRO  35  -8.862  -1.465   3.555
  280   1HD   PRO  35          2HD       PRO  35  -6.226  -0.384   2.659
  281   2HD   PRO  35          1HD       PRO  35  -7.754  -0.519   1.765
  282    H    GLU  36           H        GLU  36  -8.846   2.025   6.790
  283    HA   GLU  36           HA       GLU  36  -7.162   4.304   6.883
  284   1HB   GLU  36          2HB       GLU  36  -9.282   4.191   8.104
  285   2HB   GLU  36          1HB       GLU  36  -8.646   2.895   9.109
  286   1HG   GLU  36          2HG       GLU  36  -6.949   4.427   9.991
  287   2HG   GLU  36          1HG       GLU  36  -7.622   5.725   9.002
  288    H    LYS  37           H        LYS  37  -6.983   1.112   8.426
  289    HA   LYS  37           HA       LYS  37  -4.532   1.714   9.786
  290   1HB   LYS  37          2HB       LYS  37  -6.319  -0.638   9.515
  291   2HB   LYS  37          1HB       LYS  37  -4.637  -0.971   9.904
  292   1HG   LYS  37          2HG       LYS  37  -4.830   0.579  11.831
  293   2HG   LYS  37          1HG       LYS  37  -6.549   0.747  11.471
  294   1HD   LYS  37          2HD       LYS  37  -6.249  -0.897  13.215
  295   2HD   LYS  37          1HD       LYS  37  -6.807  -1.697  11.744
  296   1HE   LYS  37          2HE       LYS  37  -4.972  -2.895  12.945
  297   2HE   LYS  37          1HE       LYS  37  -4.614  -2.503  11.263
  298   1HZ   LYS  37          1HZ       LYS  37  -2.817  -2.055  12.980
  299   2HZ   LYS  37          2HZ       LYS  37  -3.759  -0.740  13.475
  300   3HZ   LYS  37          3HZ       LYS  37  -3.167  -0.806  11.892
  301    H    ASP  38           H        ASP  38  -5.336   0.646   6.628
  302    HA   ASP  38           HA       ASP  38  -2.832  -0.684   6.125
  303   1HB   ASP  38          2HB       ASP  38  -5.074   0.205   4.302
  304   2HB   ASP  38          1HB       ASP  38  -3.633  -0.631   3.730
  305    H    ALA  39           H        ALA  39  -4.304   2.429   5.290
  306    HA   ALA  39           HA       ALA  39  -2.187   3.437   3.751
  307   1HB   ALA  39          1HB       ALA  39  -3.181   5.629   4.127
  308   2HB   ALA  39          2HB       ALA  39  -4.170   4.969   5.429
  309   3HB   ALA  39          3HB       ALA  39  -4.424   4.430   3.771
  310    H    TYR  40           H        TYR  40  -2.597   3.124   7.189
  311    HA   TYR  40           HA       TYR  40  -0.676   5.068   7.970
  312   1HB   TYR  40          2HB       TYR  40  -2.347   4.299   9.548
  313   2HB   TYR  40          1HB       TYR  40  -1.756   2.640   9.420
  314    HD1  TYR  40           1HD      TYR  40  -0.566   1.915  11.246
  315    HD2  TYR  40           2HD      TYR  40  -0.274   6.010  10.129
  316    HE1  TYR  40           1HE      TYR  40   0.969   2.313  13.126
  317    HE2  TYR  40           2HE      TYR  40   1.262   6.418  12.005
  318    HH   TYR  40           HH       TYR  40   2.832   4.042  13.648
  319    H    ARG  41           H        ARG  41  -0.498   1.507   7.826
  320    HA   ARG  41           HA       ARG  41   2.201   1.266   8.475
  321   1HB   ARG  41          2HB       ARG  41   0.771  -0.579   6.570
  322   2HB   ARG  41          1HB       ARG  41   2.067  -0.969   7.692
  323   1HG   ARG  41          2HG       ARG  41   0.016   0.044   9.283
  324   2HG   ARG  41          1HG       ARG  41  -0.783  -0.988   8.095
  325   1HD   ARG  41          2HD       ARG  41  -0.189  -2.273  10.063
  326   2HD   ARG  41          1HD       ARG  41   0.746  -2.818   8.676
  327    HE   ARG  41           HE       ARG  41   1.754  -1.298  10.971
  328   1HH1  ARG  41          1HH1      ARG  41   2.396  -2.992   7.978
  329   2HH1  ARG  41          2HH1      ARG  41   4.100  -3.090   8.262
  330   1HH2  ARG  41          1HH2      ARG  41   3.992  -1.429  11.331
  331   2HH2  ARG  41          2HH2      ARG  41   5.006  -2.204  10.160
  332    H    LEU  42           H        LEU  42   0.677   2.130   5.466
  333    HA   LEU  42           HA       LEU  42   2.601   1.530   3.596
  334   1HB   LEU  42          2HB       LEU  42   0.719   3.857   3.837
  335   2HB   LEU  42          1HB       LEU  42   1.814   3.716   2.475
  336    HG   LEU  42           HG       LEU  42  -0.370   1.776   3.233
  337   1HD1  LEU  42          1HD1      LEU  42  -0.033   3.520   0.798
  338   2HD1  LEU  42          2HD1      LEU  42  -1.102   3.872   2.157
  339   3HD1  LEU  42          3HD1      LEU  42  -1.390   2.450   1.153
  340   1HD2  LEU  42          1HD2      LEU  42   0.290   0.713   1.023
  341   2HD2  LEU  42          2HD2      LEU  42   1.368   0.432   2.390
  342   3HD2  LEU  42          3HD2      LEU  42   1.798   1.618   1.158
  343    H    GLU  43           H        GLU  43   2.428   4.447   5.620
  344    HA   GLU  43           HA       GLU  43   4.692   5.731   4.613
  345   1HB   GLU  43          2HB       GLU  43   2.920   6.686   6.154
  346   2HB   GLU  43          1HB       GLU  43   3.755   5.882   7.476
  347   1HG   GLU  43          2HG       GLU  43   5.833   7.161   6.603
  348   2HG   GLU  43          1HG       GLU  43   4.644   8.187   5.804
  349    H    ILE  44           H        ILE  44   4.445   2.956   6.624
  350    HA   ILE  44           HA       ILE  44   7.153   3.229   7.656
  351    HB   ILE  44           HB       ILE  44   5.263   0.910   8.019
  352   1HG1  ILE  44          2HG1      ILE  44   5.435   3.570   9.348
  353   2HG1  ILE  44          1HG1      ILE  44   4.029   2.557   9.043
  354   1HG2  ILE  44          1HG2      ILE  44   7.627   0.432   8.460
  355   2HG2  ILE  44          2HG2      ILE  44   6.666   0.382   9.938
  356   3HG2  ILE  44          3HG2      ILE  44   7.684   1.781   9.597
  357   1HD1  ILE  44          1HD1      ILE  44   6.083   2.182  11.205
  358   2HD1  ILE  44          2HD1      ILE  44   4.750   1.075  10.876
  359   3HD1  ILE  44          3HD1      ILE  44   4.416   2.724  11.404
  360    H    VAL  45           H        VAL  45   5.322   0.977   5.598
  361    HA   VAL  45           HA       VAL  45   7.535  -0.655   4.948
  362    HB   VAL  45           HB       VAL  45   6.089  -1.380   2.991
  363   1HG1  VAL  45          1HG1      VAL  45   4.247  -2.197   4.767
  364   2HG1  VAL  45          2HG1      VAL  45   5.515  -1.661   5.869
  365   3HG1  VAL  45          3HG1      VAL  45   5.864  -2.890   4.654
  366   1HG2  VAL  45          1HG2      VAL  45   3.787  -0.694   2.946
  367   2HG2  VAL  45          2HG2      VAL  45   4.809   0.738   2.836
  368   3HG2  VAL  45          3HG2      VAL  45   4.021   0.333   4.360
  369    H    THR  46           H        THR  46   6.057   2.129   3.359
  370    HA   THR  46           HA       THR  46   7.802   1.998   1.087
  371    HB   THR  46           HB       THR  46   6.690   4.021   0.380
  372    HG1  THR  46           1HG      THR  46   5.750   4.090   3.038
  373   1HG2  THR  46          1HG2      THR  46   4.865   2.925  -0.201
  374   2HG2  THR  46          2HG2      THR  46   4.257   2.979   1.453
  375   3HG2  THR  46          3HG2      THR  46   5.309   1.660   0.943
  376    H    ALA  47           H        ALA  47   8.461   2.798   4.181
  377    HA   ALA  47           HA       ALA  47  10.176   3.902   5.187
  378   1HB   ALA  47          1HB       ALA  47  11.412   4.866   2.691
  379   2HB   ALA  47          2HB       ALA  47  11.235   3.117   2.838
  380   3HB   ALA  47          3HB       ALA  47  12.127   4.018   4.062
  381    H    GLY  48           H        GLY  48   7.690   5.246   4.450
  382   1HA   GLY  48          2HA       GLY  48   6.921   7.384   4.951
  383   2HA   GLY  48          1HA       GLY  48   8.580   7.955   4.956
  384    H    ALA  49           H        ALA  49   7.345   6.147   2.253
  385    HA   ALA  49           HA       ALA  49   7.816   8.418   0.517
  386   1HB   ALA  49          1HB       ALA  49   6.726   5.826  -0.478
  387   2HB   ALA  49          2HB       ALA  49   8.388   5.895   0.106
  388   3HB   ALA  49          3HB       ALA  49   7.880   6.927  -1.231
  389    H    LEU  50           H        LEU  50   5.099   6.457   1.611
  390    HA   LEU  50           HA       LEU  50   3.246   8.130   0.078
  391   1HB   LEU  50          2HB       LEU  50   2.994   5.478   1.459
  392   2HB   LEU  50          1HB       LEU  50   1.566   6.403   1.035
  393    HG   LEU  50           HG       LEU  50   3.657   5.568  -0.973
  394   1HD1  LEU  50          1HD1      LEU  50   1.020   4.245  -0.921
  395   2HD1  LEU  50          2HD1      LEU  50   2.157   3.784   0.348
  396   3HD1  LEU  50          3HD1      LEU  50   2.606   3.605  -1.348
  397   1HD2  LEU  50          1HD2      LEU  50   0.860   6.131  -1.724
  398   2HD2  LEU  50          2HD2      LEU  50   2.363   6.514  -2.563
  399   3HD2  LEU  50          3HD2      LEU  50   1.825   7.516  -1.215
  400    H    LYS  51           H        LYS  51   2.194   9.745   1.020
  401    HA   LYS  51           HA       LYS  51   2.452  10.191   3.852
  402   1HB   LYS  51          2HB       LYS  51   2.343  11.889   1.790
  403   2HB   LYS  51          1HB       LYS  51   0.633  11.870   2.203
  404   1HG   LYS  51          2HG       LYS  51   1.623  13.693   3.349
  405   2HG   LYS  51          1HG       LYS  51   1.280  12.445   4.550
  406   1HD   LYS  51          2HD       LYS  51   3.787  11.751   3.874
  407   2HD   LYS  51          1HD       LYS  51   3.868  13.489   3.575
  408   1HE   LYS  51          2HE       LYS  51   2.970  13.861   5.865
  409   2HE   LYS  51          1HE       LYS  51   3.075  12.123   6.143
  410   1HZ   LYS  51          1HZ       LYS  51   5.000  13.649   6.889
  411   2HZ   LYS  51          2HZ       LYS  51   5.455  13.611   5.262
  412   3HZ   LYS  51          3HZ       LYS  51   5.362  12.173   6.145
  413    H    TYR  52           H        TYR  52   1.104   9.479   5.351
  414    HA   TYR  52           HA       TYR  52  -1.502   8.432   4.557
  415   1HB   TYR  52          2HB       TYR  52  -0.250   6.925   5.915
  416   2HB   TYR  52          1HB       TYR  52   0.145   8.186   7.076
  417    HD1  TYR  52           1HD      TYR  52  -0.793   7.641   9.110
  418    HD2  TYR  52           2HD      TYR  52  -3.109   7.084   5.583
  419    HE1  TYR  52           1HE      TYR  52  -2.722   6.984  10.485
  420    HE2  TYR  52           2HE      TYR  52  -5.038   6.424   6.948
  421    HH   TYR  52           HH       TYR  52  -5.478   5.505   9.199
  422    H    GLN  53           H        GLN  53  -3.351   9.472   4.923
  423    HA   GLN  53           HA       GLN  53  -3.393  11.612   6.939
  424   1HB   GLN  53          2HB       GLN  53  -4.979  12.822   5.329
  425   2HB   GLN  53          1HB       GLN  53  -3.265  12.845   4.944
  426   1HG   GLN  53          2HG       GLN  53  -5.059  10.763   3.771
  427   2HG   GLN  53          1HG       GLN  53  -4.971  12.380   3.073
  428   1HE2  GLN  53          1HE2      GLN  53  -2.488  13.100   3.035
  429   2HE2  GLN  53          2HE2      GLN  53  -1.468  11.975   2.209
  430    H    GLU  54           H        GLU  54  -4.836  11.141   8.438
  431    HA   GLU  54           HA       GLU  54  -6.839   9.148   8.081
  432   1HB   GLU  54          2HB       GLU  54  -6.076  11.012  10.293
  433   2HB   GLU  54          1HB       GLU  54  -7.598  10.137  10.384
  434   1HG   GLU  54          2HG       GLU  54  -6.463   8.030  10.296
  435   2HG   GLU  54          1HG       GLU  54  -4.919   8.827   9.996
  436    H    ASN  55           H        ASN  55  -6.775  12.329   7.090
  437    HA   ASN  55           HA       ASN  55  -9.175  13.458   7.729
  438   1HB   ASN  55          2HB       ASN  55  -7.439  13.563   5.311
  439   2HB   ASN  55          1HB       ASN  55  -9.056  14.251   5.184
  440   1HD2  ASN  55          1HD2      ASN  55  -6.355  15.476   5.179
  441   2HD2  ASN  55          2HD2      ASN  55  -6.407  16.685   6.413
  442    H    ALA  56           H        ALA  56  -8.729  11.652   4.685
  443    HA   ALA  56           HA       ALA  56 -11.510  11.322   4.264
  444   1HB   ALA  56          1HB       ALA  56 -10.480   9.405   2.700
  445   2HB   ALA  56          2HB       ALA  56  -9.028  10.366   2.979
  446   3HB   ALA  56          3HB       ALA  56 -10.450  11.115   2.271
  447    H    TYR  57           H        TYR  57  -9.320   9.715   6.308
  448    HA   TYR  57           HA       TYR  57 -10.950   7.291   6.425
  449   1HB   TYR  57          2HB       TYR  57  -8.337   7.873   7.814
  450   2HB   TYR  57          1HB       TYR  57  -9.141   6.311   7.692
  451    HD1  TYR  57           1HD      TYR  57  -9.806   5.871   5.020
  452    HD2  TYR  57           2HD      TYR  57  -6.434   7.990   6.516
  453    HE1  TYR  57           1HE      TYR  57  -8.593   5.396   2.938
  454    HE2  TYR  57           2HE      TYR  57  -5.210   7.521   4.436
  455    HH   TYR  57           HH       TYR  57  -6.601   5.485   1.896
  456    H    ARG  58           H        ARG  58 -11.740   9.969   7.509
  457    HA   ARG  58           HA       ARG  58 -11.930   9.302  10.366
  458   1HB   ARG  58          2HB       ARG  58 -11.510  11.771   8.934
  459   2HB   ARG  58          1HB       ARG  58 -12.940  11.894   9.945
  460   1HG   ARG  58          2HG       ARG  58 -11.710  11.418  11.909
  461   2HG   ARG  58          1HG       ARG  58 -10.290  10.925  10.981
  462   1HD   ARG  58          2HD       ARG  58  -9.854  13.144  10.299
  463   2HD   ARG  58          1HD       ARG  58 -11.430  13.703  10.841
  464    HE   ARG  58           HE       ARG  58 -10.560  13.987  12.926
  465   1HH1  ARG  58          1HH1      ARG  58  -8.503  11.785  11.164
  466   2HH1  ARG  58          2HH1      ARG  58  -7.303  11.712  12.410
  467   1HH2  ARG  58          1HH2      ARG  58  -8.982  13.893  14.565
  468   2HH2  ARG  58          2HH2      ARG  58  -7.575  12.910  14.341
  469    H    GLN  59           H        GLN  59 -13.940   9.433  11.433
  470    HA   GLN  59           HA       GLN  59 -16.180   8.692   9.750
  471   1HB   GLN  59          2HB       GLN  59 -15.400   7.794  12.157
  472   2HB   GLN  59          1HB       GLN  59 -16.530   9.033  12.677
  473   1HG   GLN  59          2HG       GLN  59 -17.960   7.280  12.539
  474   2HG   GLN  59          1HG       GLN  59 -18.070   7.854  10.876
  475   1HE2  GLN  59          1HE2      GLN  59 -18.310   5.157  12.248
  476   2HE2  GLN  59          2HE2      GLN  59 -17.310   4.117  11.298
  477    H    ALA  60           H        ALA  60 -17.540  10.126   8.949
  478    HA   ALA  60           HA       ALA  60 -18.620  12.240  10.573
  479   1HB   ALA  60          1HB       ALA  60 -17.970  14.046   8.962
  480   2HB   ALA  60          2HB       ALA  60 -16.830  12.906   8.242
  481   3HB   ALA  60          3HB       ALA  60 -16.650  13.398   9.925
  482    H    ALA  61           H        ALA  61 -20.660  11.512  10.164
  483    HA   ALA  61           HA       ALA  61 -21.510  11.036   7.418
  484   1HB   ALA  61          1HB       ALA  61 -23.650  10.349   8.489
  485   2HB   ALA  61          2HB       ALA  61 -22.920  10.680  10.057
  486   3HB   ALA  61          3HB       ALA  61 -22.250   9.422   9.019
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -5.875   7.322   1.083
    2   2H    MET   1          2HT       MET   1  -5.379   8.611   0.063
    3   3H    MET   1          3HT       MET   1  -4.522   8.283   1.515
    4    HA   MET   1           HA       MET   1  -3.495   7.531  -0.615
    5   1HB   MET   1          2HB       MET   1  -3.270   6.708   1.915
    6   2HB   MET   1          1HB       MET   1  -3.900   5.220   1.224
    7   1HG   MET   1          2HG       MET   1  -2.054   4.962  -0.193
    8   2HG   MET   1          1HG       MET   1  -1.533   6.629   0.046
    9   1HE   MET   1          1HE       MET   1   0.204   6.974   3.063
   10   2HE   MET   1          2HE       MET   1  -1.346   6.554   3.792
   11   3HE   MET   1          3HE       MET   1  -1.298   7.532   2.327
   12    H    TYR   2           H        TYR   2  -4.050   6.750  -2.531
   13    HA   TYR   2           HA       TYR   2  -6.393   5.046  -2.794
   14   1HB   TYR   2          2HB       TYR   2  -4.736   6.686  -4.648
   15   2HB   TYR   2          1HB       TYR   2  -5.610   5.316  -5.323
   16    HD1  TYR   2           1HD      TYR   2  -6.651   7.618  -2.591
   17    HD2  TYR   2           2HD      TYR   2  -7.311   6.303  -6.583
   18    HE1  TYR   2           1HE      TYR   2  -8.694   8.983  -2.699
   19    HE2  TYR   2           2HE      TYR   2  -9.355   7.663  -6.700
   20    HH   TYR   2           HH       TYR   2 -11.060   8.600  -4.686
   21    H    LYS   3           H        LYS   3  -6.380   3.023  -3.829
   22    HA   LYS   3           HA       LYS   3  -4.224   1.338  -3.153
   23   1HB   LYS   3          2HB       LYS   3  -6.513   0.509  -3.311
   24   2HB   LYS   3          1HB       LYS   3  -6.545   0.865  -5.032
   25   1HG   LYS   3          2HG       LYS   3  -4.764  -0.790  -5.391
   26   2HG   LYS   3          1HG       LYS   3  -4.795  -1.170  -3.667
   27   1HD   LYS   3          2HD       LYS   3  -6.243  -2.775  -4.324
   28   2HD   LYS   3          1HD       LYS   3  -7.409  -1.452  -4.265
   29   1HE   LYS   3          2HE       LYS   3  -5.870  -2.256  -6.729
   30   2HE   LYS   3          1HE       LYS   3  -7.503  -2.805  -6.357
   31   1HZ   LYS   3          1HZ       LYS   3  -8.187  -0.448  -6.321
   32   2HZ   LYS   3          2HZ       LYS   3  -7.619  -0.946  -7.834
   33   3HZ   LYS   3          3HZ       LYS   3  -6.635  -0.006  -6.830
   34    H    LYS   4           H        LYS   4  -5.150   2.934  -6.144
   35    HA   LYS   4           HA       LYS   4  -3.487   1.588  -7.930
   36   1HB   LYS   4          2HB       LYS   4  -5.269   3.233  -8.535
   37   2HB   LYS   4          1HB       LYS   4  -4.194   4.525  -8.014
   38   1HG   LYS   4          2HG       LYS   4  -3.969   4.438 -10.339
   39   2HG   LYS   4          1HG       LYS   4  -2.535   3.622  -9.711
   40   1HD   LYS   4          2HD       LYS   4  -3.098   2.016 -11.187
   41   2HD   LYS   4          1HD       LYS   4  -4.251   1.537  -9.940
   42   1HE   LYS   4          2HE       LYS   4  -6.015   2.736 -11.009
   43   2HE   LYS   4          1HE       LYS   4  -4.893   3.493 -12.139
   44   1HZ   LYS   4          1HZ       LYS   4  -4.395   1.154 -12.915
   45   2HZ   LYS   4          2HZ       LYS   4  -5.917   1.771 -13.323
   46   3HZ   LYS   4          3HZ       LYS   4  -5.766   0.666 -12.050
   47    H    ASP   5           H        ASP   5  -2.815   4.368  -5.846
   48    HA   ASP   5           HA       ASP   5  -0.232   4.916  -6.815
   49   1HB   ASP   5          2HB       ASP   5  -1.756   6.324  -5.261
   50   2HB   ASP   5          1HB       ASP   5  -1.035   5.386  -3.956
   51    H    VAL   6           H        VAL   6  -1.285   3.013  -3.991
   52    HA   VAL   6           HA       VAL   6   1.203   2.254  -3.055
   53    HB   VAL   6           HB       VAL   6  -1.149   0.390  -2.978
   54   1HG1  VAL   6          1HG1      VAL   6   0.729  -0.509  -1.921
   55   2HG1  VAL   6          2HG1      VAL   6  -0.246   0.158  -0.610
   56   3HG1  VAL   6          3HG1      VAL   6   1.162   1.039  -1.198
   57   1HG2  VAL   6          1HG2      VAL   6  -1.586   1.825  -0.773
   58   2HG2  VAL   6          2HG2      VAL   6  -2.358   2.200  -2.313
   59   3HG2  VAL   6          3HG2      VAL   6  -0.933   3.102  -1.798
   60    H    ILE   7           H        ILE   7  -0.907   0.601  -5.390
   61    HA   ILE   7           HA       ILE   7   0.768  -1.620  -5.820
   62    HB   ILE   7           HB       ILE   7  -1.276  -0.379  -7.670
   63   1HG1  ILE   7          2HG1      ILE   7  -1.504  -2.726  -5.772
   64   2HG1  ILE   7          1HG1      ILE   7  -2.149  -1.117  -5.470
   65   1HG2  ILE   7          1HG2      ILE   7   0.011  -3.105  -7.761
   66   2HG2  ILE   7          2HG2      ILE   7   0.258  -1.792  -8.912
   67   3HG2  ILE   7          3HG2      ILE   7  -1.322  -2.565  -8.784
   68   1HD1  ILE   7          1HD1      ILE   7  -3.718  -2.956  -6.346
   69   2HD1  ILE   7          2HD1      ILE   7  -2.961  -2.639  -7.907
   70   3HD1  ILE   7          3HD1      ILE   7  -3.810  -1.347  -7.061
   71    H    ASP   8           H        ASP   8   0.653   1.571  -7.291
   72    HA   ASP   8           HA       ASP   8   2.522   0.930  -9.373
   73   1HB   ASP   8          2HB       ASP   8   0.759   3.064  -8.800
   74   2HB   ASP   8          1HB       ASP   8   2.377   3.757  -8.840
   75    H    HIS   9           H        HIS   9   2.696   1.983  -6.089
   76    HA   HIS   9           HA       HIS   9   5.399   2.962  -6.299
   77   1HB   HIS   9          2HB       HIS   9   3.967   4.037  -4.687
   78   2HB   HIS   9          1HB       HIS   9   3.579   2.495  -3.930
   79    HD1  HIS   9           1HD      HIS   9   5.907   5.296  -3.746
   80    HD2  HIS   9           2HD      HIS   9   5.856   1.323  -2.528
   81    HE1  HIS   9           1HE      HIS   9   7.739   5.094  -2.035
   82    HE2  HIS   9           2HE      HIS   9   7.748   2.662  -1.379
   83    H    PHE  10           H        PHE  10   3.791  -0.020  -5.596
   84    HA   PHE  10           HA       PHE  10   6.219  -1.207  -4.495
   85   1HB   PHE  10          2HB       PHE  10   3.359  -2.114  -4.683
   86   2HB   PHE  10          1HB       PHE  10   4.648  -3.257  -4.320
   87    HD1  PHE  10           1HD      PHE  10   4.474  -3.830  -2.096
   88    HD2  PHE  10           2HD      PHE  10   4.082   0.253  -3.220
   89    HE1  PHE  10           1HE      PHE  10   4.366  -3.191   0.276
   90    HE2  PHE  10           2HE      PHE  10   3.971   0.902  -0.850
   91    HZ   PHE  10           HZ       PHE  10   4.115  -0.823   0.903
   92    H    GLY  11           H        GLY  11   3.916  -1.738  -7.154
   93   1HA   GLY  11          2HA       GLY  11   5.018  -2.120  -9.365
   94   2HA   GLY  11          1HA       GLY  11   6.023  -3.292  -8.527
   95    H    THR  12           H        THR  12   3.713  -4.209  -6.899
   96    HA   THR  12           HA       THR  12   1.911  -5.376  -8.853
   97    HB   THR  12           HB       THR  12   2.456  -7.683  -7.694
   98    HG1  THR  12           1HG      THR  12   4.613  -7.869  -7.153
   99   1HG2  THR  12          1HG2      THR  12   3.712  -8.351  -9.516
  100   2HG2  THR  12          2HG2      THR  12   4.492  -6.777  -9.682
  101   3HG2  THR  12          3HG2      THR  12   2.801  -6.977 -10.141
  102    H    GLN  13           H        GLN  13   0.509  -7.123  -7.521
  103    HA   GLN  13           HA       GLN  13  -0.652  -5.576  -5.359
  104   1HB   GLN  13          2HB       GLN  13  -1.509  -7.932  -6.989
  105   2HB   GLN  13          1HB       GLN  13  -2.281  -7.649  -5.435
  106   1HG   GLN  13          2HG       GLN  13  -2.367  -5.171  -6.599
  107   2HG   GLN  13          1HG       GLN  13  -2.601  -6.253  -7.971
  108   1HE2  GLN  13          1HE2      GLN  13  -3.993  -8.306  -6.858
  109   2HE2  GLN  13          2HE2      GLN  13  -5.532  -7.749  -6.307
  110    H    ARG  14           H        ARG  14   0.515  -8.914  -5.803
  111    HA   ARG  14           HA       ARG  14   0.257  -9.777  -3.179
  112   1HB   ARG  14          2HB       ARG  14   1.189 -10.877  -5.502
  113   2HB   ARG  14          1HB       ARG  14   2.666 -10.756  -4.555
  114   1HG   ARG  14          2HG       ARG  14   1.405 -11.924  -2.695
  115   2HG   ARG  14          1HG       ARG  14   0.154 -12.261  -3.892
  116   1HD   ARG  14          2HD       ARG  14   2.713 -12.947  -4.974
  117   2HD   ARG  14          1HD       ARG  14   2.527 -13.704  -3.393
  118    HE   ARG  14           HE       ARG  14   0.874 -15.049  -4.252
  119   1HH1  ARG  14          1HH1      ARG  14   1.614 -12.520  -6.543
  120   2HH1  ARG  14          2HH1      ARG  14   0.694 -13.236  -7.821
  121   1HH2  ARG  14          1HH2      ARG  14  -0.339 -15.992  -5.934
  122   2HH2  ARG  14          2HH2      ARG  14  -0.416 -15.207  -7.476
  123    H    ALA  15           H        ALA  15   2.659  -7.714  -4.625
  124    HA   ALA  15           HA       ALA  15   4.668  -7.932  -2.665
  125   1HB   ALA  15          1HB       ALA  15   5.738  -6.587  -4.070
  126   2HB   ALA  15          2HB       ALA  15   4.591  -5.284  -3.756
  127   3HB   ALA  15          3HB       ALA  15   4.261  -6.462  -5.027
  128    H    VAL  16           H        VAL  16   1.930  -5.699  -2.985
  129    HA   VAL  16           HA       VAL  16   2.485  -4.088  -0.778
  130    HB   VAL  16           HB       VAL  16  -0.366  -4.678  -1.382
  131   1HG1  VAL  16          1HG1      VAL  16  -0.399  -2.160  -1.367
  132   2HG1  VAL  16          2HG1      VAL  16   1.301  -2.228  -0.907
  133   3HG1  VAL  16          3HG1      VAL  16   0.073  -2.930   0.147
  134   1HG2  VAL  16          1HG2      VAL  16   0.280  -4.756  -3.615
  135   2HG2  VAL  16          2HG2      VAL  16   1.586  -3.594  -3.383
  136   3HG2  VAL  16          3HG2      VAL  16  -0.091  -3.048  -3.379
  137    H    ALA  17           H        ALA  17   1.052  -7.256  -1.001
  138    HA   ALA  17           HA       ALA  17  -0.072  -7.269   1.627
  139   1HB   ALA  17          1HB       ALA  17  -0.317  -8.858  -0.611
  140   2HB   ALA  17          2HB       ALA  17  -1.015  -9.181   0.976
  141   3HB   ALA  17          3HB       ALA  17   0.537  -9.894   0.534
  142    H    LYS  18           H        LYS  18   3.073  -7.908   0.315
  143    HA   LYS  18           HA       LYS  18   3.941  -9.321   2.705
  144   1HB   LYS  18          2HB       LYS  18   5.813  -9.970   1.536
  145   2HB   LYS  18          1HB       LYS  18   4.658  -9.782   0.227
  146   1HG   LYS  18          2HG       LYS  18   5.705  -7.305   0.279
  147   2HG   LYS  18          1HG       LYS  18   7.087  -8.241   0.851
  148   1HD   LYS  18          2HD       LYS  18   5.640  -9.318  -1.493
  149   2HD   LYS  18          1HD       LYS  18   6.559  -7.833  -1.748
  150   1HE   LYS  18          2HE       LYS  18   8.269  -9.250  -2.113
  151   2HE   LYS  18          1HE       LYS  18   8.354  -9.290  -0.353
  152   1HZ   LYS  18          1HZ       LYS  18   8.208 -11.492  -0.694
  153   2HZ   LYS  18          2HZ       LYS  18   7.475 -11.338  -2.211
  154   3HZ   LYS  18          3HZ       LYS  18   6.546 -11.188  -0.805
  155    H    ALA  19           H        ALA  19   3.157  -6.380   2.630
  156    HA   ALA  19           HA       ALA  19   5.647  -5.337   3.814
  157   1HB   ALA  19          1HB       ALA  19   5.455  -3.886   2.078
  158   2HB   ALA  19          2HB       ALA  19   4.387  -3.066   3.217
  159   3HB   ALA  19          3HB       ALA  19   3.707  -4.091   1.955
  160    H    LEU  20           H        LEU  20   2.107  -5.296   3.948
  161    HA   LEU  20           HA       LEU  20   2.186  -4.100   6.610
  162   1HB   LEU  20          2HB       LEU  20  -0.295  -4.944   5.145
  163   2HB   LEU  20          1HB       LEU  20  -0.126  -3.723   6.393
  164    HG   LEU  20           HG       LEU  20   1.265  -3.329   3.776
  165   1HD1  LEU  20          1HD1      LEU  20  -1.547  -2.391   4.169
  166   2HD1  LEU  20          2HD1      LEU  20  -1.218  -3.982   3.482
  167   3HD1  LEU  20          3HD1      LEU  20  -0.612  -2.532   2.681
  168   1HD2  LEU  20          1HD2      LEU  20   1.478  -1.875   5.897
  169   2HD2  LEU  20          2HD2      LEU  20  -0.125  -1.282   5.461
  170   3HD2  LEU  20          3HD2      LEU  20   1.223  -1.080   4.344
  171    H    GLY  21           H        GLY  21   1.562  -7.145   5.023
  172   1HA   GLY  21          2HA       GLY  21   1.933  -9.176   6.292
  173   2HA   GLY  21          1HA       GLY  21   1.215  -8.374   7.682
  174    H    ILE  22           H        ILE  22  -0.060  -8.291   4.405
  175    HA   ILE  22           HA       ILE  22  -2.341  -9.921   5.318
  176    HB   ILE  22           HB       ILE  22  -3.784  -8.579   3.819
  177   1HG1  ILE  22          2HG1      ILE  22  -1.335  -6.815   3.581
  178   2HG1  ILE  22          1HG1      ILE  22  -2.046  -7.772   2.285
  179   1HG2  ILE  22          1HG2      ILE  22  -3.074  -8.048   6.348
  180   2HG2  ILE  22          2HG2      ILE  22  -4.261  -7.098   5.455
  181   3HG2  ILE  22          3HG2      ILE  22  -2.596  -6.533   5.582
  182   1HD1  ILE  22          1HD1      ILE  22  -2.573  -5.307   2.296
  183   2HD1  ILE  22          2HD1      ILE  22  -3.567  -5.622   3.720
  184   3HD1  ILE  22          3HD1      ILE  22  -3.951  -6.402   2.185
  185    H    SER  23           H        SER  23  -3.715 -10.427   3.155
  186    HA   SER  23           HA       SER  23  -1.832 -11.878   1.440
  187   1HB   SER  23          2HB       SER  23  -4.758 -12.250   2.065
  188   2HB   SER  23          1HB       SER  23  -3.993 -13.066   0.702
  189    HG   SER  23           HG       SER  23  -2.410 -13.801   2.352
  190    H    ASP  24           H        ASP  24  -2.854 -12.234  -0.873
  191    HA   ASP  24           HA       ASP  24  -2.805  -9.695  -2.145
  192   1HB   ASP  24          2HB       ASP  24  -1.931 -11.755  -3.198
  193   2HB   ASP  24          1HB       ASP  24  -3.571 -12.385  -3.298
  194    H    ALA  25           H        ALA  25  -5.349 -11.820  -1.079
  195    HA   ALA  25           HA       ALA  25  -7.459 -10.785  -2.634
  196   1HB   ALA  25          1HB       ALA  25  -7.618 -12.017   0.114
  197   2HB   ALA  25          2HB       ALA  25  -7.572 -12.917  -1.403
  198   3HB   ALA  25          3HB       ALA  25  -8.937 -11.859  -1.047
  199    H    ALA  26           H        ALA  26  -6.354  -9.980   0.649
  200    HA   ALA  26           HA       ALA  26  -8.279  -8.040   1.227
  201   1HB   ALA  26          1HB       ALA  26  -7.115  -7.691   3.130
  202   2HB   ALA  26          2HB       ALA  26  -5.568  -7.569   2.290
  203   3HB   ALA  26          3HB       ALA  26  -6.269  -9.154   2.622
  204    H    VAL  27           H        VAL  27  -5.341  -7.865  -0.657
  205    HA   VAL  27           HA       VAL  27  -5.240  -5.007  -0.770
  206    HB   VAL  27           HB       VAL  27  -3.942  -7.007  -2.627
  207   1HG1  VAL  27          1HG1      VAL  27  -4.024  -4.733  -3.526
  208   2HG1  VAL  27          2HG1      VAL  27  -2.373  -5.205  -3.122
  209   3HG1  VAL  27          3HG1      VAL  27  -3.267  -4.122  -2.054
  210   1HG2  VAL  27          1HG2      VAL  27  -2.023  -6.952  -1.227
  211   2HG2  VAL  27          2HG2      VAL  27  -3.405  -7.283  -0.184
  212   3HG2  VAL  27          3HG2      VAL  27  -2.704  -5.665  -0.231
  213    H    SER  28           H        SER  28  -6.385  -7.554  -2.960
  214    HA   SER  28           HA       SER  28  -7.148  -5.797  -5.048
  215   1HB   SER  28          2HB       SER  28  -7.003  -8.561  -4.705
  216   2HB   SER  28          1HB       SER  28  -8.719  -8.243  -4.956
  217    HG   SER  28           HG       SER  28  -7.937  -6.923  -6.810
  218    H    GLN  29           H        GLN  29  -8.720  -6.911  -2.144
  219    HA   GLN  29           HA       GLN  29 -11.360  -6.124  -2.897
  220   1HB   GLN  29          2HB       GLN  29 -10.100  -6.771  -0.231
  221   2HB   GLN  29          1HB       GLN  29 -11.800  -6.355  -0.415
  222   1HG   GLN  29          2HG       GLN  29 -12.310  -8.315  -1.491
  223   2HG   GLN  29          1HG       GLN  29 -10.660  -8.557  -2.064
  224   1HE2  GLN  29          1HE2      GLN  29 -11.800 -10.695  -1.050
  225   2HE2  GLN  29          2HE2      GLN  29 -11.210 -11.055   0.535
  226    H    TRP  30           H        TRP  30  -8.603  -4.438  -1.745
  227    HA   TRP  30           HA       TRP  30  -9.666  -2.356  -0.276
  228   1HB   TRP  30          2HB       TRP  30  -7.338  -2.471  -2.182
  229   2HB   TRP  30          1HB       TRP  30  -7.745  -0.994  -1.317
  230    HD1  TRP  30           HD       TRP  30  -8.584  -3.213   1.250
  231    HE1  TRP  30           1HE      TRP  30  -6.611  -3.796   2.797
  232    HE3  TRP  30           3HE      TRP  30  -4.725  -1.730  -1.758
  233    HZ2  TRP  30           2HZ      TRP  30  -3.793  -3.649   2.748
  234    HZ3  TRP  30           3HZ      TRP  30  -2.420  -1.984  -0.932
  235    HH2  TRP  30           HH       TRP  30  -1.965  -2.924   1.275
  236    H    LYS  31           H        LYS  31 -10.750  -0.510  -0.705
  237    HA   LYS  31           HA       LYS  31 -11.940  -0.253  -3.340
  238   1HB   LYS  31          2HB       LYS  31 -12.660   0.473  -0.647
  239   2HB   LYS  31          1HB       LYS  31 -12.770   1.880  -1.692
  240   1HG   LYS  31          2HG       LYS  31 -14.120   0.375  -3.262
  241   2HG   LYS  31          1HG       LYS  31 -14.240  -0.724  -1.888
  242   1HD   LYS  31          2HD       LYS  31 -15.100   1.279  -0.572
  243   2HD   LYS  31          1HD       LYS  31 -15.270   2.088  -2.130
  244   1HE   LYS  31          2HE       LYS  31 -16.480  -0.610  -1.603
  245   2HE   LYS  31          1HE       LYS  31 -17.320   0.882  -1.183
  246   1HZ   LYS  31          1HZ       LYS  31 -16.410   0.077  -3.892
  247   2HZ   LYS  31          2HZ       LYS  31 -17.120   1.566  -3.518
  248   3HZ   LYS  31          3HZ       LYS  31 -18.010   0.141  -3.346
  249    H    GLU  32           H        GLU  32 -12.360   2.469  -3.525
  250    HA   GLU  32           HA       GLU  32 -10.160   3.407  -4.877
  251   1HB   GLU  32          2HB       GLU  32 -12.690   4.389  -4.236
  252   2HB   GLU  32          1HB       GLU  32 -11.580   5.588  -3.576
  253   1HG   GLU  32          2HG       GLU  32 -10.510   5.788  -5.767
  254   2HG   GLU  32          1HG       GLU  32 -11.640   4.604  -6.421
  255    H    VAL  33           H        VAL  33 -10.780   3.465  -1.453
  256    HA   VAL  33           HA       VAL  33  -8.135   4.673  -1.040
  257    HB   VAL  33           HB       VAL  33 -10.530   5.202   0.721
  258   1HG1  VAL  33          1HG1      VAL  33  -8.839   5.591   2.167
  259   2HG1  VAL  33          2HG1      VAL  33  -8.757   7.131   1.311
  260   3HG1  VAL  33          3HG1      VAL  33  -7.653   5.824   0.884
  261   1HG2  VAL  33          1HG2      VAL  33  -9.254   7.337  -0.909
  262   2HG2  VAL  33          2HG2      VAL  33 -10.910   7.199  -0.327
  263   3HG2  VAL  33          3HG2      VAL  33 -10.370   6.235  -1.704
  264    H    ILE  34           H        ILE  34  -6.861   3.215  -0.115
  265    HA   ILE  34           HA       ILE  34  -7.619   0.779   0.939
  266    HB   ILE  34           HB       ILE  34  -5.382   0.841   2.160
  267   1HG1  ILE  34          2HG1      ILE  34  -5.021   3.388   0.575
  268   2HG1  ILE  34          1HG1      ILE  34  -5.356   3.361   2.303
  269   1HG2  ILE  34          1HG2      ILE  34  -5.890   0.001  -0.203
  270   2HG2  ILE  34          2HG2      ILE  34  -4.207   0.340   0.205
  271   3HG2  ILE  34          3HG2      ILE  34  -5.132   1.494  -0.755
  272   1HD1  ILE  34          1HD1      ILE  34  -2.929   2.318   0.879
  273   2HD1  ILE  34          2HD1      ILE  34  -3.285   1.970   2.572
  274   3HD1  ILE  34          3HD1      ILE  34  -3.026   3.634   2.048
  275    HA   PRO  35           HA       PRO  35  -9.237   1.103   5.009
  276   1HB   PRO  35          2HB       PRO  35  -6.844  -0.403   5.971
  277   2HB   PRO  35          1HB       PRO  35  -8.560  -0.710   6.266
  278   1HG   PRO  35          2HG       PRO  35  -7.207  -2.188   4.519
  279   2HG   PRO  35          1HG       PRO  35  -8.877  -1.692   4.186
  280   1HD   PRO  35          2HD       PRO  35  -6.326  -0.658   3.040
  281   2HD   PRO  35          1HD       PRO  35  -7.921  -0.830   2.278
  282    H    GLU  36           H        GLU  36  -8.578   1.681   7.331
  283    HA   GLU  36           HA       GLU  36  -7.011   4.106   7.205
  284   1HB   GLU  36          2HB       GLU  36  -9.120   4.114   8.423
  285   2HB   GLU  36          1HB       GLU  36  -8.547   2.824   9.472
  286   1HG   GLU  36          2HG       GLU  36  -6.687   4.441  10.142
  287   2HG   GLU  36          1HG       GLU  36  -7.673   5.687   9.378
  288    H    LYS  37           H        LYS  37  -6.704   0.879   8.516
  289    HA   LYS  37           HA       LYS  37  -4.293   1.570   9.989
  290   1HB   LYS  37          2HB       LYS  37  -4.314  -0.780  10.705
  291   2HB   LYS  37          1HB       LYS  37  -5.857   0.006  11.010
  292   1HG   LYS  37          2HG       LYS  37  -6.177  -1.082   8.496
  293   2HG   LYS  37          1HG       LYS  37  -5.232  -2.296   9.361
  294   1HD   LYS  37          2HD       LYS  37  -7.170  -3.000  10.219
  295   2HD   LYS  37          1HD       LYS  37  -7.151  -1.534  11.200
  296   1HE   LYS  37          2HE       LYS  37  -8.198  -0.510   8.980
  297   2HE   LYS  37          1HE       LYS  37  -8.720  -2.180   8.765
  298   1HZ   LYS  37          1HZ       LYS  37  -9.594  -0.201  10.695
  299   2HZ   LYS  37          2HZ       LYS  37  -9.387  -1.761  11.311
  300   3HZ   LYS  37          3HZ       LYS  37 -10.440  -1.498  10.014
  301    H    ASP  38           H        ASP  38  -5.177   0.294   6.911
  302    HA   ASP  38           HA       ASP  38  -2.663  -1.022   6.425
  303   1HB   ASP  38          2HB       ASP  38  -5.168  -0.547   4.898
  304   2HB   ASP  38          1HB       ASP  38  -3.701  -0.794   3.957
  305    H    ALA  39           H        ALA  39  -4.178   2.042   5.523
  306    HA   ALA  39           HA       ALA  39  -2.072   2.916   3.830
  307   1HB   ALA  39          1HB       ALA  39  -3.831   4.855   5.256
  308   2HB   ALA  39          2HB       ALA  39  -4.539   3.760   4.070
  309   3HB   ALA  39          3HB       ALA  39  -3.257   4.872   3.589
  310    H    TYR  40           H        TYR  40  -2.568   2.944   7.258
  311    HA   TYR  40           HA       TYR  40  -0.755   5.025   7.910
  312   1HB   TYR  40          2HB       TYR  40  -2.433   4.309   9.507
  313   2HB   TYR  40          1HB       TYR  40  -1.759   2.678   9.536
  314    HD1  TYR  40           1HD      TYR  40  -0.046   2.120  11.036
  315    HD2  TYR  40           2HD      TYR  40  -1.005   6.214  10.390
  316    HE1  TYR  40           1HE      TYR  40   1.417   2.752  12.912
  317    HE2  TYR  40           2HE      TYR  40   0.454   6.859  12.260
  318    HH   TYR  40           HH       TYR  40   1.394   5.851  14.297
  319    H    ARG  41           H        ARG  41  -0.398   1.488   8.240
  320    HA   ARG  41           HA       ARG  41   2.310   1.473   8.874
  321   1HB   ARG  41          2HB       ARG  41   0.800  -0.639   7.327
  322   2HB   ARG  41          1HB       ARG  41   2.304  -0.873   8.206
  323   1HG   ARG  41          2HG       ARG  41   1.279  -0.845  10.248
  324   2HG   ARG  41          1HG       ARG  41  -0.056   0.164   9.687
  325   1HD   ARG  41          2HD       ARG  41  -1.208  -1.618   8.803
  326   2HD   ARG  41          1HD       ARG  41   0.251  -2.576   8.560
  327    HE   ARG  41           HE       ARG  41   0.078  -2.413  11.249
  328   1HH1  ARG  41          1HH1      ARG  41  -2.201  -3.347   8.776
  329   2HH1  ARG  41          2HH1      ARG  41  -3.052  -4.453   9.801
  330   1HH2  ARG  41          1HH2      ARG  41  -1.038  -3.869  12.600
  331   2HH2  ARG  41          2HH2      ARG  41  -2.391  -4.750  11.973
  332    H    LEU  42           H        LEU  42   0.728   1.818   5.791
  333    HA   LEU  42           HA       LEU  42   2.810   1.121   4.071
  334   1HB   LEU  42          2HB       LEU  42   0.407   2.857   3.883
  335   2HB   LEU  42          1HB       LEU  42   1.635   3.053   2.647
  336    HG   LEU  42           HG       LEU  42   0.338   0.410   3.310
  337   1HD1  LEU  42          1HD1      LEU  42  -0.305   1.735   0.771
  338   2HD1  LEU  42          2HD1      LEU  42  -0.983   2.502   2.207
  339   3HD1  LEU  42          3HD1      LEU  42  -1.331   0.808   1.863
  340   1HD2  LEU  42          1HD2      LEU  42   1.498  -0.488   1.553
  341   2HD2  LEU  42          2HD2      LEU  42   2.674   0.692   2.131
  342   3HD2  LEU  42          3HD2      LEU  42   1.671   1.062   0.729
  343    H    GLU  43           H        GLU  43   2.036   4.259   5.545
  344    HA   GLU  43           HA       GLU  43   3.965   5.822   4.324
  345   1HB   GLU  43          2HB       GLU  43   2.188   6.697   5.796
  346   2HB   GLU  43          1HB       GLU  43   3.013   6.012   7.189
  347   1HG   GLU  43          2HG       GLU  43   4.995   7.451   6.544
  348   2HG   GLU  43          1HG       GLU  43   3.904   8.271   5.427
  349    H    ILE  44           H        ILE  44   4.323   3.445   6.842
  350    HA   ILE  44           HA       ILE  44   7.044   4.263   7.454
  351    HB   ILE  44           HB       ILE  44   5.548   1.834   8.437
  352   1HG1  ILE  44          2HG1      ILE  44   5.545   4.690   9.293
  353   2HG1  ILE  44          1HG1      ILE  44   4.239   3.512   9.319
  354   1HG2  ILE  44          1HG2      ILE  44   7.999   3.223   9.518
  355   2HG2  ILE  44          2HG2      ILE  44   7.990   1.700   8.630
  356   3HG2  ILE  44          3HG2      ILE  44   7.214   1.803  10.210
  357   1HD1  ILE  44          1HD1      ILE  44   4.889   4.140  11.562
  358   2HD1  ILE  44          2HD1      ILE  44   6.549   3.644  11.239
  359   3HD1  ILE  44          3HD1      ILE  44   5.261   2.441  11.266
  360    H    VAL  45           H        VAL  45   5.363   1.536   5.945
  361    HA   VAL  45           HA       VAL  45   7.632  -0.023   5.384
  362    HB   VAL  45           HB       VAL  45   5.014  -0.489   5.188
  363   1HG1  VAL  45          1HG1      VAL  45   5.800  -0.145   2.302
  364   2HG1  VAL  45          2HG1      VAL  45   4.787   0.986   3.198
  365   3HG1  VAL  45          3HG1      VAL  45   4.239  -0.669   2.933
  366   1HG2  VAL  45          1HG2      VAL  45   7.273  -1.935   4.845
  367   2HG2  VAL  45          2HG2      VAL  45   6.532  -2.096   3.252
  368   3HG2  VAL  45          3HG2      VAL  45   5.643  -2.592   4.693
  369    H    THR  46           H        THR  46   6.012   2.522   3.577
  370    HA   THR  46           HA       THR  46   7.670   2.221   1.256
  371    HB   THR  46           HB       THR  46   6.531   4.352   0.559
  372    HG1  THR  46           1HG      THR  46   6.145   4.987   2.816
  373   1HG2  THR  46          1HG2      THR  46   4.197   3.370   0.532
  374   2HG2  THR  46          2HG2      THR  46   4.894   1.985   1.371
  375   3HG2  THR  46          3HG2      THR  46   5.475   2.427  -0.234
  376    H    ALA  47           H        ALA  47   8.432   3.340   4.225
  377    HA   ALA  47           HA       ALA  47  10.184   4.552   5.028
  378   1HB   ALA  47          1HB       ALA  47  12.040   4.971   3.681
  379   2HB   ALA  47          2HB       ALA  47  11.063   5.164   2.227
  380   3HB   ALA  47          3HB       ALA  47  11.290   3.563   2.930
  381    H    GLY  48           H        GLY  48   7.683   5.783   4.669
  382   1HA   GLY  48          2HA       GLY  48   6.811   7.895   4.949
  383   2HA   GLY  48          1HA       GLY  48   8.449   8.523   4.886
  384    H    ALA  49           H        ALA  49   7.234   6.572   2.280
  385    HA   ALA  49           HA       ALA  49   7.687   8.682   0.400
  386   1HB   ALA  49          1HB       ALA  49   6.244   6.144  -0.268
  387   2HB   ALA  49          2HB       ALA  49   7.974   6.135   0.073
  388   3HB   ALA  49          3HB       ALA  49   7.344   7.098  -1.263
  389    H    LEU  50           H        LEU  50   4.785   6.914   1.464
  390    HA   LEU  50           HA       LEU  50   3.080   8.845   0.107
  391   1HB   LEU  50          2HB       LEU  50   2.718   6.160   1.314
  392   2HB   LEU  50          1HB       LEU  50   1.330   7.231   1.342
  393    HG   LEU  50           HG       LEU  50   2.766   6.837  -1.243
  394   1HD1  LEU  50          1HD1      LEU  50   2.270   4.594  -0.003
  395   2HD1  LEU  50          2HD1      LEU  50   1.855   4.780  -1.707
  396   3HD1  LEU  50          3HD1      LEU  50   0.605   4.933  -0.473
  397   1HD2  LEU  50          1HD2      LEU  50   0.113   7.713  -0.279
  398   2HD2  LEU  50          2HD2      LEU  50   0.145   6.802  -1.790
  399   3HD2  LEU  50          3HD2      LEU  50   1.078   8.291  -1.638
  400    H    LYS  51           H        LYS  51   1.538  10.127   1.156
  401    HA   LYS  51           HA       LYS  51   2.171  10.673   3.972
  402   1HB   LYS  51          2HB       LYS  51   1.905  12.371   1.754
  403   2HB   LYS  51          1HB       LYS  51   0.471  12.655   2.730
  404   1HG   LYS  51          2HG       LYS  51   2.338  12.712   4.653
  405   2HG   LYS  51          1HG       LYS  51   3.298  13.274   3.283
  406   1HD   LYS  51          2HD       LYS  51   1.186  14.811   2.886
  407   2HD   LYS  51          1HD       LYS  51   0.956  14.539   4.615
  408   1HE   LYS  51          2HE       LYS  51   3.620  15.122   4.484
  409   2HE   LYS  51          1HE       LYS  51   2.966  16.140   3.201
  410   1HZ   LYS  51          1HZ       LYS  51   3.051  16.879   5.744
  411   2HZ   LYS  51          2HZ       LYS  51   1.519  16.163   5.724
  412   3HZ   LYS  51          3HZ       LYS  51   1.871  17.434   4.664
  413    H    TYR  52           H        TYR  52   0.759  10.123   5.487
  414    HA   TYR  52           HA       TYR  52  -1.821   9.069   4.759
  415   1HB   TYR  52          2HB       TYR  52  -0.296   8.147   6.581
  416   2HB   TYR  52          1HB       TYR  52  -0.790   9.526   7.557
  417    HD1  TYR  52           1HD      TYR  52  -3.309   9.820   7.984
  418    HD2  TYR  52           2HD      TYR  52  -1.589   6.205   6.545
  419    HE1  TYR  52           1HE      TYR  52  -5.301   8.584   8.727
  420    HE2  TYR  52           2HE      TYR  52  -3.577   4.960   7.283
  421    HH   TYR  52           HH       TYR  52  -5.404   5.147   8.811
  422    H    GLN  53           H        GLN  53  -3.735  10.066   4.859
  423    HA   GLN  53           HA       GLN  53  -3.889  12.653   6.259
  424   1HB   GLN  53          2HB       GLN  53  -5.326  12.026   3.680
  425   2HB   GLN  53          1HB       GLN  53  -5.209  13.580   4.493
  426   1HG   GLN  53          2HG       GLN  53  -2.574  12.828   4.048
  427   2HG   GLN  53          1HG       GLN  53  -3.430  12.357   2.581
  428   1HE2  GLN  53          1HE2      GLN  53  -2.101  14.005   1.578
  429   2HE2  GLN  53          2HE2      GLN  53  -2.608  15.654   1.640
  430    H    GLU  54           H        GLU  54  -5.112  12.239   7.990
  431    HA   GLU  54           HA       GLU  54  -7.042  10.228   8.214
  432   1HB   GLU  54          2HB       GLU  54  -7.777  11.413  10.246
  433   2HB   GLU  54          1HB       GLU  54  -6.028  11.255  10.168
  434   1HG   GLU  54          2HG       GLU  54  -5.713  13.511   9.734
  435   2HG   GLU  54          1HG       GLU  54  -7.375  13.738   9.192
  436    H    ASN  55           H        ASN  55  -7.216  13.330   6.740
  437    HA   ASN  55           HA       ASN  55  -9.869  14.035   6.999
  438   1HB   ASN  55          2HB       ASN  55  -8.122  14.305   4.544
  439   2HB   ASN  55          1HB       ASN  55  -9.622  15.184   4.825
  440   1HD2  ASN  55          1HD2      ASN  55  -9.560  16.127   7.234
  441   2HD2  ASN  55          2HD2      ASN  55  -8.165  17.103   7.536
  442    H    ALA  56           H        ALA  56  -8.470  11.453   5.136
  443    HA   ALA  56           HA       ALA  56 -11.010  10.942   3.780
  444   1HB   ALA  56          1HB       ALA  56  -8.366  10.689   2.967
  445   2HB   ALA  56          2HB       ALA  56  -9.796  10.112   2.111
  446   3HB   ALA  56          3HB       ALA  56  -8.922   9.031   3.198
  447    H    TYR  57           H        TYR  57  -9.006   9.747   6.345
  448    HA   TYR  57           HA       TYR  57 -10.570   7.286   6.552
  449   1HB   TYR  57          2HB       TYR  57  -8.219   8.081   8.258
  450   2HB   TYR  57          1HB       TYR  57  -8.897   6.473   8.033
  451    HD1  TYR  57           1HD      TYR  57  -8.645   5.354   5.787
  452    HD2  TYR  57           2HD      TYR  57  -6.545   8.910   6.813
  453    HE1  TYR  57           1HE      TYR  57  -7.051   4.932   3.964
  454    HE2  TYR  57           2HE      TYR  57  -4.946   8.498   4.991
  455    HH   TYR  57           HH       TYR  57  -5.471   6.082   2.595
  456    H    ARG  58           H        ARG  58 -11.690   9.923   7.183
  457    HA   ARG  58           HA       ARG  58 -12.200   9.559  10.063
  458   1HB   ARG  58          2HB       ARG  58 -12.860  11.958  10.078
  459   2HB   ARG  58          1HB       ARG  58 -11.170  11.697   9.664
  460   1HG   ARG  58          2HG       ARG  58 -11.460  12.359   7.491
  461   2HG   ARG  58          1HG       ARG  58 -13.170  11.931   7.469
  462   1HD   ARG  58          2HD       ARG  58 -13.800  13.880   8.538
  463   2HD   ARG  58          1HD       ARG  58 -12.210  14.131   9.249
  464    HE   ARG  58           HE       ARG  58 -12.230  14.316   6.382
  465   1HH1  ARG  58          1HH1      ARG  58 -12.730  16.063   9.363
  466   2HH1  ARG  58          2HH1      ARG  58 -12.400  17.609   8.656
  467   1HH2  ARG  58          1HH2      ARG  58 -11.800  16.349   5.452
  468   2HH2  ARG  58          2HH2      ARG  58 -11.870  17.772   6.438
  469    H    GLN  59           H        GLN  59 -13.640  10.074   6.905
  470    HA   GLN  59           HA       GLN  59 -16.340  10.131   7.953
  471   1HB   GLN  59          2HB       GLN  59 -15.310  10.004   5.114
  472   2HB   GLN  59          1HB       GLN  59 -17.000  10.191   5.561
  473   1HG   GLN  59          2HG       GLN  59 -14.900  12.126   6.481
  474   2HG   GLN  59          1HG       GLN  59 -15.690  12.281   4.910
  475   1HE2  GLN  59          1HE2      GLN  59 -16.280  12.134   8.376
  476   2HE2  GLN  59          2HE2      GLN  59 -17.750  13.043   8.351
  477    H    ALA  60           H        ALA  60 -14.410   7.918   5.935
  478    HA   ALA  60           HA       ALA  60 -16.090   5.710   6.900
  479   1HB   ALA  60          1HB       ALA  60 -16.440   6.675   4.409
  480   2HB   ALA  60          2HB       ALA  60 -16.700   4.987   4.850
  481   3HB   ALA  60          3HB       ALA  60 -15.180   5.480   4.107
  482    H    ALA  61           H        ALA  61 -14.850   4.265   7.876
  483    HA   ALA  61           HA       ALA  61 -12.100   3.875   6.885
  484   1HB   ALA  61          1HB       ALA  61 -13.150   4.218   9.626
  485   2HB   ALA  61          2HB       ALA  61 -11.590   4.686   8.938
  486   3HB   ALA  61          3HB       ALA  61 -11.880   3.011   9.410
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  -5.074   7.169   1.229
    2   2H    MET   1          2HT       MET   1  -4.603   8.475   0.218
    3   3H    MET   1          3HT       MET   1  -3.601   7.996   1.527
    4    HA   MET   1           HA       MET   1  -2.913   7.294  -0.747
    5   1HB   MET   1          2HB       MET   1  -3.170   5.704   1.743
    6   2HB   MET   1          1HB       MET   1  -2.685   4.817   0.304
    7   1HG   MET   1          2HG       MET   1  -0.696   5.955   0.105
    8   2HG   MET   1          1HG       MET   1  -1.279   7.346   1.016
    9   1HE   MET   1          1HE       MET   1  -1.252   6.663   4.453
   10   2HE   MET   1          2HE       MET   1  -1.275   7.772   3.083
   11   3HE   MET   1          3HE       MET   1   0.254   7.361   3.860
   12    H    TYR   2           H        TYR   2  -3.646   6.532  -2.618
   13    HA   TYR   2           HA       TYR   2  -6.199   5.125  -2.684
   14   1HB   TYR   2          2HB       TYR   2  -4.549   6.606  -4.685
   15   2HB   TYR   2          1HB       TYR   2  -5.684   5.392  -5.265
   16    HD1  TYR   2           1HD      TYR   2  -7.427   6.571  -6.253
   17    HD2  TYR   2           2HD      TYR   2  -5.991   7.816  -2.446
   18    HE1  TYR   2           1HE      TYR   2  -9.254   8.209  -6.107
   19    HE2  TYR   2           2HE      TYR   2  -7.815   9.458  -2.289
   20    HH   TYR   2           HH       TYR   2 -10.030   9.836  -3.220
   21    H    LYS   3           H        LYS   3  -6.500   3.116  -3.663
   22    HA   LYS   3           HA       LYS   3  -4.543   1.183  -3.224
   23   1HB   LYS   3          2HB       LYS   3  -6.926   0.656  -3.367
   24   2HB   LYS   3          1HB       LYS   3  -6.932   1.074  -5.076
   25   1HG   LYS   3          2HG       LYS   3  -5.216  -0.768  -5.382
   26   2HG   LYS   3          1HG       LYS   3  -5.618  -1.269  -3.739
   27   1HD   LYS   3          2HD       LYS   3  -7.687  -2.019  -4.330
   28   2HD   LYS   3          1HD       LYS   3  -7.873  -0.823  -5.612
   29   1HE   LYS   3          2HE       LYS   3  -5.930  -3.104  -5.819
   30   2HE   LYS   3          1HE       LYS   3  -7.614  -3.260  -6.314
   31   1HZ   LYS   3          1HZ       LYS   3  -5.680  -2.470  -7.947
   32   2HZ   LYS   3          2HZ       LYS   3  -6.183  -0.962  -7.368
   33   3HZ   LYS   3          3HZ       LYS   3  -7.292  -1.988  -8.127
   34    H    LYS   4           H        LYS   4  -5.197   3.150  -6.033
   35    HA   LYS   4           HA       LYS   4  -3.661   1.616  -7.878
   36   1HB   LYS   4          2HB       LYS   4  -5.464   3.394  -8.368
   37   2HB   LYS   4          1HB       LYS   4  -4.179   4.570  -8.130
   38   1HG   LYS   4          2HG       LYS   4  -2.944   2.989  -9.871
   39   2HG   LYS   4          1HG       LYS   4  -4.611   2.641 -10.334
   40   1HD   LYS   4          2HD       LYS   4  -4.535   4.495 -11.572
   41   2HD   LYS   4          1HD       LYS   4  -4.546   5.401 -10.057
   42   1HE   LYS   4          2HE       LYS   4  -2.641   6.271 -10.911
   43   2HE   LYS   4          1HE       LYS   4  -1.935   4.819 -10.203
   44   1HZ   LYS   4          1HZ       LYS   4  -2.636   3.893 -12.586
   45   2HZ   LYS   4          2HZ       LYS   4  -1.126   4.590 -12.278
   46   3HZ   LYS   4          3HZ       LYS   4  -2.349   5.509 -12.997
   47    H    ASP   5           H        ASP   5  -2.973   4.429  -5.846
   48    HA   ASP   5           HA       ASP   5  -0.399   4.975  -6.821
   49   1HB   ASP   5          2HB       ASP   5  -1.720   5.511  -4.166
   50   2HB   ASP   5          1HB       ASP   5  -0.076   6.032  -4.513
   51    H    VAL   6           H        VAL   6  -1.391   3.085  -3.961
   52    HA   VAL   6           HA       VAL   6   1.109   2.305  -3.095
   53    HB   VAL   6           HB       VAL   6  -1.261   0.462  -2.963
   54   1HG1  VAL   6          1HG1      VAL   6  -0.308   0.131  -0.657
   55   2HG1  VAL   6          2HG1      VAL   6   1.076   1.084  -1.191
   56   3HG1  VAL   6          3HG1      VAL   6   0.691  -0.438  -1.994
   57   1HG2  VAL   6          1HG2      VAL   6  -0.987   3.172  -1.816
   58   2HG2  VAL   6          2HG2      VAL   6  -1.559   1.915  -0.719
   59   3HG2  VAL   6          3HG2      VAL   6  -2.436   2.249  -2.213
   60    H    ILE   7           H        ILE   7  -1.057   0.658  -5.386
   61    HA   ILE   7           HA       ILE   7   0.613  -1.564  -5.852
   62    HB   ILE   7           HB       ILE   7  -1.518  -0.334  -7.607
   63   1HG1  ILE   7          2HG1      ILE   7  -1.616  -2.791  -5.846
   64   2HG1  ILE   7          1HG1      ILE   7  -2.219  -1.207  -5.364
   65   1HG2  ILE   7          1HG2      ILE   7  -0.029  -1.640  -8.986
   66   2HG2  ILE   7          2HG2      ILE   7  -1.548  -2.509  -8.773
   67   3HG2  ILE   7          3HG2      ILE   7  -0.121  -2.994  -7.858
   68   1HD1  ILE   7          1HD1      ILE   7  -3.652  -1.379  -7.511
   69   2HD1  ILE   7          2HD1      ILE   7  -4.125  -2.284  -6.072
   70   3HD1  ILE   7          3HD1      ILE   7  -3.299  -3.104  -7.396
   71    H    ASP   8           H        ASP   8   0.498   1.643  -7.257
   72    HA   ASP   8           HA       ASP   8   2.265   1.016  -9.431
   73   1HB   ASP   8          2HB       ASP   8   0.586   3.186  -8.714
   74   2HB   ASP   8          1HB       ASP   8   2.219   3.827  -8.843
   75    H    HIS   9           H        HIS   9   2.569   2.090  -6.147
   76    HA   HIS   9           HA       HIS   9   5.321   2.910  -6.458
   77   1HB   HIS   9          2HB       HIS   9   3.962   4.123  -4.864
   78   2HB   HIS   9          1HB       HIS   9   3.557   2.634  -4.017
   79    HD1  HIS   9           1HD      HIS   9   5.725   5.438  -3.751
   80    HD2  HIS   9           2HD      HIS   9   6.107   1.376  -2.962
   81    HE1  HIS   9           1HE      HIS   9   7.681   5.237  -2.182
   82    HE2  HIS   9           2HE      HIS   9   7.946   2.763  -1.789
   83    H    PHE  10           H        PHE  10   3.546   0.076  -5.549
   84    HA   PHE  10           HA       PHE  10   5.906  -1.221  -4.436
   85   1HB   PHE  10          2HB       PHE  10   3.001  -1.975  -4.631
   86   2HB   PHE  10          1HB       PHE  10   4.223  -3.171  -4.210
   87    HD1  PHE  10           1HD      PHE  10   3.850   0.402  -3.234
   88    HD2  PHE  10           2HD      PHE  10   3.966  -3.659  -1.975
   89    HE1  PHE  10           1HE      PHE  10   3.741   1.132  -0.888
   90    HE2  PHE  10           2HE      PHE  10   3.858  -2.938   0.374
   91    HZ   PHE  10           HZ       PHE  10   3.745  -0.540   0.920
   92    H    GLY  11           H        GLY  11   3.580  -1.739  -7.082
   93   1HA   GLY  11          2HA       GLY  11   4.565  -2.260  -9.287
   94   2HA   GLY  11          1HA       GLY  11   5.660  -3.343  -8.440
   95    H    THR  12           H        THR  12   3.459  -4.255  -6.654
   96    HA   THR  12           HA       THR  12   1.524  -5.519  -8.364
   97    HB   THR  12           HB       THR  12   2.385  -7.837  -7.378
   98    HG1  THR  12           1HG      THR  12   4.783  -6.372  -7.743
   99   1HG2  THR  12          1HG2      THR  12   2.120  -7.216  -9.795
  100   2HG2  THR  12          2HG2      THR  12   3.409  -8.365  -9.434
  101   3HG2  THR  12          3HG2      THR  12   3.798  -6.675  -9.756
  102    H    GLN  13           H        GLN  13  -0.016  -6.832  -7.147
  103    HA   GLN  13           HA       GLN  13  -0.693  -5.630  -4.677
  104   1HB   GLN  13          2HB       GLN  13  -2.478  -7.368  -4.590
  105   2HB   GLN  13          1HB       GLN  13  -2.439  -6.470  -6.101
  106   1HG   GLN  13          2HG       GLN  13  -1.361  -8.304  -7.221
  107   2HG   GLN  13          1HG       GLN  13  -1.217  -9.190  -5.704
  108   1HE2  GLN  13          1HE2      GLN  13  -3.909  -7.379  -7.121
  109   2HE2  GLN  13          2HE2      GLN  13  -5.023  -8.698  -7.126
  110    H    ARG  14           H        ARG  14   0.719  -8.763  -5.517
  111    HA   ARG  14           HA       ARG  14   0.695  -9.923  -2.979
  112   1HB   ARG  14          2HB       ARG  14   1.472 -10.762  -5.420
  113   2HB   ARG  14          1HB       ARG  14   3.049 -10.469  -4.696
  114   1HG   ARG  14          2HG       ARG  14   2.477 -11.962  -2.846
  115   2HG   ARG  14          1HG       ARG  14   0.899 -12.261  -3.580
  116   1HD   ARG  14          2HD       ARG  14   3.586 -12.918  -4.785
  117   2HD   ARG  14          1HD       ARG  14   2.446 -14.070  -4.089
  118    HE   ARG  14           HE       ARG  14   1.180 -12.605  -6.135
  119   1HH1  ARG  14          1HH1      ARG  14   3.595 -15.085  -5.685
  120   2HH1  ARG  14          2HH1      ARG  14   3.309 -15.818  -7.227
  121   1HH2  ARG  14          1HH2      ARG  14   0.803 -13.570  -8.164
  122   2HH2  ARG  14          2HH2      ARG  14   1.725 -14.958  -8.635
  123    H    ALA  15           H        ALA  15   2.798  -7.518  -4.368
  124    HA   ALA  15           HA       ALA  15   4.923  -7.738  -2.509
  125   1HB   ALA  15          1HB       ALA  15   4.617  -6.413  -4.826
  126   2HB   ALA  15          2HB       ALA  15   5.873  -6.034  -3.647
  127   3HB   ALA  15          3HB       ALA  15   4.386  -5.087  -3.686
  128    H    VAL  16           H        VAL  16   1.940  -5.864  -2.554
  129    HA   VAL  16           HA       VAL  16   2.589  -4.355  -0.209
  130    HB   VAL  16           HB       VAL  16  -0.270  -4.540  -0.710
  131   1HG1  VAL  16          1HG1      VAL  16   1.168  -2.762   0.468
  132   2HG1  VAL  16          2HG1      VAL  16  -0.177  -2.227  -0.540
  133   3HG1  VAL  16          3HG1      VAL  16   1.473  -2.153  -1.158
  134   1HG2  VAL  16          1HG2      VAL  16   0.089  -4.986  -2.973
  135   2HG2  VAL  16          2HG2      VAL  16   1.532  -3.974  -3.040
  136   3HG2  VAL  16          3HG2      VAL  16  -0.062  -3.230  -2.912
  137    H    ALA  17           H        ALA  17   0.864  -7.328  -0.893
  138    HA   ALA  17           HA       ALA  17  -0.413  -7.652   1.591
  139   1HB   ALA  17          1HB       ALA  17   0.101  -9.272  -0.766
  140   2HB   ALA  17          2HB       ALA  17  -1.295  -9.251   0.311
  141   3HB   ALA  17          3HB       ALA  17   0.121 -10.218   0.722
  142    H    LYS  18           H        LYS  18   2.868  -8.215   0.564
  143    HA   LYS  18           HA       LYS  18   3.536  -9.737   2.940
  144   1HB   LYS  18          2HB       LYS  18   4.571  -9.675   0.401
  145   2HB   LYS  18          1HB       LYS  18   5.750  -8.726   1.296
  146   1HG   LYS  18          2HG       LYS  18   6.107 -10.552   2.838
  147   2HG   LYS  18          1HG       LYS  18   4.845 -11.500   2.046
  148   1HD   LYS  18          2HD       LYS  18   7.415 -10.563   0.770
  149   2HD   LYS  18          1HD       LYS  18   7.079 -12.203   1.329
  150   1HE   LYS  18          2HE       LYS  18   6.371 -12.597  -0.752
  151   2HE   LYS  18          1HE       LYS  18   4.941 -11.667  -0.309
  152   1HZ   LYS  18          1HZ       LYS  18   5.674 -10.666  -2.249
  153   2HZ   LYS  18          2HZ       LYS  18   7.310 -10.792  -1.834
  154   3HZ   LYS  18          3HZ       LYS  18   6.324  -9.663  -1.051
  155    H    ALA  19           H        ALA  19   3.808  -6.471   1.740
  156    HA   ALA  19           HA       ALA  19   5.724  -5.532   3.598
  157   1HB   ALA  19          1HB       ALA  19   5.460  -3.521   2.604
  158   2HB   ALA  19          2HB       ALA  19   3.698  -3.623   2.615
  159   3HB   ALA  19          3HB       ALA  19   4.624  -4.483   1.385
  160    H    LEU  20           H        LEU  20   2.172  -5.221   3.548
  161    HA   LEU  20           HA       LEU  20   2.124  -4.160   6.226
  162   1HB   LEU  20          2HB       LEU  20  -0.197  -5.140   4.566
  163   2HB   LEU  20          1HB       LEU  20  -0.270  -4.082   5.963
  164    HG   LEU  20           HG       LEU  20   1.256  -3.228   3.532
  165   1HD1  LEU  20          1HD1      LEU  20  -1.036  -1.999   3.062
  166   2HD1  LEU  20          2HD1      LEU  20  -1.690  -3.444   3.834
  167   3HD1  LEU  20          3HD1      LEU  20  -0.683  -3.592   2.394
  168   1HD2  LEU  20          1HD2      LEU  20  -0.369  -1.601   5.466
  169   2HD2  LEU  20          2HD2      LEU  20   0.885  -1.053   4.354
  170   3HD2  LEU  20          3HD2      LEU  20   1.318  -2.020   5.762
  171    H    GLY  21           H        GLY  21   1.623  -7.265   4.687
  172   1HA   GLY  21          2HA       GLY  21   2.043  -9.278   5.940
  173   2HA   GLY  21          1HA       GLY  21   1.416  -8.467   7.368
  174    H    ILE  22           H        ILE  22  -0.207  -8.199   4.301
  175    HA   ILE  22           HA       ILE  22  -2.367  -9.906   5.357
  176    HB   ILE  22           HB       ILE  22  -3.915  -8.588   3.954
  177   1HG1  ILE  22          2HG1      ILE  22  -1.503  -6.816   3.485
  178   2HG1  ILE  22          1HG1      ILE  22  -2.275  -7.834   2.273
  179   1HG2  ILE  22          1HG2      ILE  22  -2.336  -7.412   6.168
  180   2HG2  ILE  22          2HG2      ILE  22  -4.053  -7.802   6.082
  181   3HG2  ILE  22          3HG2      ILE  22  -3.439  -6.347   5.298
  182   1HD1  ILE  22          1HD1      ILE  22  -4.382  -6.370   3.122
  183   2HD1  ILE  22          2HD1      ILE  22  -3.361  -5.953   1.745
  184   3HD1  ILE  22          3HD1      ILE  22  -3.062  -5.216   3.320
  185    H    SER  23           H        SER  23  -3.891 -10.484   3.335
  186    HA   SER  23           HA       SER  23  -2.175 -12.050   1.575
  187   1HB   SER  23          2HB       SER  23  -5.163 -12.121   2.056
  188   2HB   SER  23          1HB       SER  23  -4.311 -13.183   0.935
  189    HG   SER  23           HG       SER  23  -4.017 -14.399   2.616
  190    H    ASP  24           H        ASP  24  -2.798 -12.251  -0.737
  191    HA   ASP  24           HA       ASP  24  -2.719  -9.773  -2.028
  192   1HB   ASP  24          2HB       ASP  24  -3.622 -12.400  -3.223
  193   2HB   ASP  24          1HB       ASP  24  -2.987 -11.010  -4.097
  194    H    ALA  25           H        ALA  25  -5.406 -11.793  -1.087
  195    HA   ALA  25           HA       ALA  25  -7.406 -10.665  -2.703
  196   1HB   ALA  25          1HB       ALA  25  -7.853 -11.731   0.073
  197   2HB   ALA  25          2HB       ALA  25  -7.550 -12.776  -1.316
  198   3HB   ALA  25          3HB       ALA  25  -8.971 -11.730  -1.291
  199    H    ALA  26           H        ALA  26  -6.352  -9.846   0.594
  200    HA   ALA  26           HA       ALA  26  -8.200  -7.812   1.091
  201   1HB   ALA  26          1HB       ALA  26  -6.381  -6.954   2.675
  202   2HB   ALA  26          2HB       ALA  26  -5.440  -8.347   2.141
  203   3HB   ALA  26          3HB       ALA  26  -6.995  -8.587   2.939
  204    H    VAL  27           H        VAL  27  -5.105  -7.753  -0.587
  205    HA   VAL  27           HA       VAL  27  -4.929  -4.924  -0.810
  206    HB   VAL  27           HB       VAL  27  -3.642  -7.022  -2.564
  207   1HG1  VAL  27          1HG1      VAL  27  -1.973  -5.270  -3.014
  208   2HG1  VAL  27          2HG1      VAL  27  -2.940  -4.127  -2.081
  209   3HG1  VAL  27          3HG1      VAL  27  -3.584  -4.817  -3.572
  210   1HG2  VAL  27          1HG2      VAL  27  -2.580  -5.679  -0.078
  211   2HG2  VAL  27          2HG2      VAL  27  -1.707  -6.823  -1.098
  212   3HG2  VAL  27          3HG2      VAL  27  -3.123  -7.353  -0.190
  213    H    SER  28           H        SER  28  -6.124  -7.477  -2.960
  214    HA   SER  28           HA       SER  28  -6.751  -5.717  -5.108
  215   1HB   SER  28          2HB       SER  28  -8.299  -7.805  -5.685
  216   2HB   SER  28          1HB       SER  28  -6.549  -7.868  -5.895
  217    HG   SER  28           HG       SER  28  -7.868  -8.692  -3.525
  218    H    GLN  29           H        GLN  29  -8.461  -6.845  -2.281
  219    HA   GLN  29           HA       GLN  29 -11.050  -6.038  -3.115
  220   1HB   GLN  29          2HB       GLN  29  -9.889  -7.320  -0.850
  221   2HB   GLN  29          1HB       GLN  29 -10.870  -5.981  -0.273
  222   1HG   GLN  29          2HG       GLN  29 -12.540  -7.454  -0.369
  223   2HG   GLN  29          1HG       GLN  29 -12.530  -7.093  -2.095
  224   1HE2  GLN  29          1HE2      GLN  29 -11.290  -9.302   0.346
  225   2HE2  GLN  29          2HE2      GLN  29 -11.110 -10.657  -0.708
  226    H    TRP  30           H        TRP  30  -8.331  -4.309  -2.002
  227    HA   TRP  30           HA       TRP  30  -9.391  -2.198  -0.575
  228   1HB   TRP  30          2HB       TRP  30  -7.072  -2.398  -2.473
  229   2HB   TRP  30          1HB       TRP  30  -7.493  -0.856  -1.739
  230    HD1  TRP  30           HD       TRP  30  -8.329  -2.819   1.014
  231    HE1  TRP  30           1HE      TRP  30  -6.360  -3.271   2.609
  232    HE3  TRP  30           3HE      TRP  30  -4.463  -1.659  -2.122
  233    HZ2  TRP  30           2HZ      TRP  30  -3.540  -3.153   2.544
  234    HZ3  TRP  30           3HZ      TRP  30  -2.159  -1.855  -1.278
  235    HH2  TRP  30           HH       TRP  30  -1.710  -2.585   1.007
  236    H    LYS  31           H        LYS  31 -10.100  -0.115  -1.131
  237    HA   LYS  31           HA       LYS  31 -11.320   0.049  -3.808
  238   1HB   LYS  31          2HB       LYS  31 -12.180   1.621  -1.385
  239   2HB   LYS  31          1HB       LYS  31 -13.070   1.357  -2.880
  240   1HG   LYS  31          2HG       LYS  31 -13.340  -0.995  -2.321
  241   2HG   LYS  31          1HG       LYS  31 -12.420  -0.757  -0.836
  242   1HD   LYS  31          2HD       LYS  31 -14.540  -0.561   0.001
  243   2HD   LYS  31          1HD       LYS  31 -14.240   1.123  -0.440
  244   1HE   LYS  31          2HE       LYS  31 -15.480   0.884  -2.466
  245   2HE   LYS  31          1HE       LYS  31 -15.580  -0.865  -2.267
  246   1HZ   LYS  31          1HZ       LYS  31 -17.520   0.795  -1.570
  247   2HZ   LYS  31          2HZ       LYS  31 -16.680   0.734  -0.105
  248   3HZ   LYS  31          3HZ       LYS  31 -17.260  -0.692  -0.804
  249    H    GLU  32           H        GLU  32 -11.970   2.776  -3.736
  250    HA   GLU  32           HA       GLU  32  -9.779   3.986  -4.856
  251   1HB   GLU  32          2HB       GLU  32 -12.330   4.934  -3.722
  252   2HB   GLU  32          1HB       GLU  32 -11.070   6.151  -3.849
  253   1HG   GLU  32          2HG       GLU  32 -12.160   6.363  -5.859
  254   2HG   GLU  32          1HG       GLU  32 -10.820   5.300  -6.276
  255    H    VAL  33           H        VAL  33 -10.540   3.617  -1.486
  256    HA   VAL  33           HA       VAL  33  -8.003   4.918  -0.808
  257    HB   VAL  33           HB       VAL  33 -10.500   5.230   0.849
  258   1HG1  VAL  33          1HG1      VAL  33  -7.956   5.391   1.686
  259   2HG1  VAL  33          2HG1      VAL  33  -9.268   6.357   2.364
  260   3HG1  VAL  33          3HG1      VAL  33  -8.204   7.050   1.140
  261   1HG2  VAL  33          1HG2      VAL  33  -9.203   7.260  -0.962
  262   2HG2  VAL  33          2HG2      VAL  33 -10.610   7.522   0.064
  263   3HG2  VAL  33          3HG2      VAL  33 -10.710   6.412  -1.302
  264    H    ILE  34           H        ILE  34  -6.740   3.422   0.070
  265    HA   ILE  34           HA       ILE  34  -7.536   0.910   0.960
  266    HB   ILE  34           HB       ILE  34  -5.308   0.792   2.082
  267   1HG1  ILE  34          2HG1      ILE  34  -4.993   3.616   1.045
  268   2HG1  ILE  34          1HG1      ILE  34  -5.216   3.192   2.738
  269   1HG2  ILE  34          1HG2      ILE  34  -5.197   1.924  -0.707
  270   2HG2  ILE  34          2HG2      ILE  34  -5.659   0.267  -0.317
  271   3HG2  ILE  34          3HG2      ILE  34  -4.031   0.839   0.049
  272   1HD1  ILE  34          1HD1      ILE  34  -2.870   3.648   2.127
  273   2HD1  ILE  34          2HD1      ILE  34  -2.918   2.261   1.037
  274   3HD1  ILE  34          3HD1      ILE  34  -3.121   2.027   2.774
  275    HA   PRO  35           HA       PRO  35  -9.146   1.066   5.049
  276   1HB   PRO  35          2HB       PRO  35  -6.735  -0.454   5.947
  277   2HB   PRO  35          1HB       PRO  35  -8.447  -0.777   6.252
  278   1HG   PRO  35          2HG       PRO  35  -7.114  -2.198   4.444
  279   2HG   PRO  35          1HG       PRO  35  -8.787  -1.691   4.143
  280   1HD   PRO  35          2HD       PRO  35  -6.249  -0.626   3.005
  281   2HD   PRO  35          1HD       PRO  35  -7.852  -0.765   2.257
  282    H    GLU  36           H        GLU  36  -8.655   1.763   7.295
  283    HA   GLU  36           HA       GLU  36  -7.109   4.160   7.265
  284   1HB   GLU  36          2HB       GLU  36  -9.185   3.973   8.552
  285   2HB   GLU  36          1HB       GLU  36  -8.458   2.731   9.562
  286   1HG   GLU  36          2HG       GLU  36  -6.687   4.538  10.092
  287   2HG   GLU  36          1HG       GLU  36  -7.897   5.663   9.477
  288    H    LYS  37           H        LYS  37  -6.741   1.014   8.871
  289    HA   LYS  37           HA       LYS  37  -4.240   1.782  10.080
  290   1HB   LYS  37          2HB       LYS  37  -4.189  -0.478  10.965
  291   2HB   LYS  37          1HB       LYS  37  -5.785   0.221  11.200
  292   1HG   LYS  37          2HG       LYS  37  -5.470  -1.297   8.713
  293   2HG   LYS  37          1HG       LYS  37  -5.305  -2.247  10.190
  294   1HD   LYS  37          2HD       LYS  37  -7.502  -2.185  10.555
  295   2HD   LYS  37          1HD       LYS  37  -7.537  -0.429  10.385
  296   1HE   LYS  37          2HE       LYS  37  -8.262  -0.525   8.258
  297   2HE   LYS  37          1HE       LYS  37  -7.226  -1.895   7.863
  298   1HZ   LYS  37          1HZ       LYS  37  -9.483  -2.591   7.715
  299   2HZ   LYS  37          2HZ       LYS  37  -9.847  -1.981   9.251
  300   3HZ   LYS  37          3HZ       LYS  37  -8.821  -3.316   9.094
  301    H    ASP  38           H        ASP  38  -5.159   0.605   7.031
  302    HA   ASP  38           HA       ASP  38  -2.747  -0.877   6.504
  303   1HB   ASP  38          2HB       ASP  38  -5.116  -0.035   4.866
  304   2HB   ASP  38          1HB       ASP  38  -3.667  -0.638   4.068
  305    H    ALA  39           H        ALA  39  -4.075   2.259   5.476
  306    HA   ALA  39           HA       ALA  39  -1.859   3.044   3.927
  307   1HB   ALA  39          1HB       ALA  39  -2.981   4.982   3.599
  308   2HB   ALA  39          2HB       ALA  39  -3.389   5.163   5.305
  309   3HB   ALA  39          3HB       ALA  39  -4.315   4.058   4.289
  310    H    TYR  40           H        TYR  40  -2.460   3.109   7.353
  311    HA   TYR  40           HA       TYR  40  -0.562   5.039   8.110
  312   1HB   TYR  40          2HB       TYR  40  -2.278   4.240   9.649
  313   2HB   TYR  40          1HB       TYR  40  -1.575   2.622   9.623
  314    HD1  TYR  40           1HD      TYR  40   0.169   2.045  11.093
  315    HD2  TYR  40           2HD      TYR  40  -0.918   6.133  10.632
  316    HE1  TYR  40           1HE      TYR  40   1.607   2.637  12.999
  317    HE2  TYR  40           2HE      TYR  40   0.517   6.736  12.536
  318    HH   TYR  40           HH       TYR  40   2.776   4.564  13.896
  319    H    ARG  41           H        ARG  41  -0.292   1.481   8.111
  320    HA   ARG  41           HA       ARG  41   2.438   1.398   8.765
  321   1HB   ARG  41          2HB       ARG  41   0.913  -0.656   7.159
  322   2HB   ARG  41          1HB       ARG  41   2.373  -0.922   8.100
  323   1HG   ARG  41          2HG       ARG  41   1.119  -0.386  10.151
  324   2HG   ARG  41          1HG       ARG  41  -0.344  -0.206   9.182
  325   1HD   ARG  41          2HD       ARG  41  -0.518  -2.454   8.777
  326   2HD   ARG  41          1HD       ARG  41   1.217  -2.726   8.930
  327    HE   ARG  41           HE       ARG  41   0.946  -3.042  11.188
  328   1HH1  ARG  41          1HH1      ARG  41  -1.991  -1.710   9.854
  329   2HH1  ARG  41          2HH1      ARG  41  -2.911  -1.970  11.296
  330   1HH2  ARG  41          1HH2      ARG  41  -0.265  -3.385  13.086
  331   2HH2  ARG  41          2HH2      ARG  41  -1.933  -2.919  13.131
  332    H    LEU  42           H        LEU  42   0.776   1.788   5.719
  333    HA   LEU  42           HA       LEU  42   2.816   1.136   3.938
  334   1HB   LEU  42          2HB       LEU  42   0.433   2.923   3.833
  335   2HB   LEU  42          1HB       LEU  42   1.621   3.055   2.550
  336    HG   LEU  42           HG       LEU  42   0.058   0.584   3.299
  337   1HD1  LEU  42          1HD1      LEU  42  -0.828   2.663   1.858
  338   2HD1  LEU  42          2HD1      LEU  42  -1.294   0.993   1.538
  339   3HD1  LEU  42          3HD1      LEU  42  -0.015   1.750   0.588
  340   1HD2  LEU  42          1HD2      LEU  42   1.222  -0.059   0.980
  341   2HD2  LEU  42          2HD2      LEU  42   1.935  -0.436   2.549
  342   3HD2  LEU  42          3HD2      LEU  42   2.480   0.980   1.649
  343    H    GLU  43           H        GLU  43   2.059   4.277   5.426
  344    HA   GLU  43           HA       GLU  43   3.975   5.838   4.195
  345   1HB   GLU  43          2HB       GLU  43   2.190   6.657   5.727
  346   2HB   GLU  43          1HB       GLU  43   3.123   6.048   7.086
  347   1HG   GLU  43          2HG       GLU  43   5.006   7.544   6.229
  348   2HG   GLU  43          1HG       GLU  43   3.768   8.315   5.237
  349    H    ILE  44           H        ILE  44   4.375   3.470   6.720
  350    HA   ILE  44           HA       ILE  44   7.088   4.306   7.315
  351    HB   ILE  44           HB       ILE  44   5.650   1.832   8.266
  352   1HG1  ILE  44          2HG1      ILE  44   5.545   4.677   9.142
  353   2HG1  ILE  44          1HG1      ILE  44   4.289   3.446   9.175
  354   1HG2  ILE  44          1HG2      ILE  44   7.312   1.835  10.047
  355   2HG2  ILE  44          2HG2      ILE  44   8.059   3.280   9.365
  356   3HG2  ILE  44          3HG2      ILE  44   8.091   1.763   8.466
  357   1HD1  ILE  44          1HD1      ILE  44   5.354   2.421  11.119
  358   2HD1  ILE  44          2HD1      ILE  44   4.935   4.108  11.415
  359   3HD1  ILE  44          3HD1      ILE  44   6.608   3.660  11.080
  360    H    VAL  45           H        VAL  45   5.459   1.554   5.787
  361    HA   VAL  45           HA       VAL  45   7.762   0.058   5.199
  362    HB   VAL  45           HB       VAL  45   5.159  -0.475   5.017
  363   1HG1  VAL  45          1HG1      VAL  45   5.903  -0.101   2.126
  364   2HG1  VAL  45          2HG1      VAL  45   4.893   1.022   3.037
  365   3HG1  VAL  45          3HG1      VAL  45   4.355  -0.638   2.782
  366   1HG2  VAL  45          1HG2      VAL  45   6.728  -2.009   3.054
  367   2HG2  VAL  45          2HG2      VAL  45   5.826  -2.557   4.468
  368   3HG2  VAL  45          3HG2      VAL  45   7.436  -1.866   4.664
  369    H    THR  46           H        THR  46   6.076   2.577   3.421
  370    HA   THR  46           HA       THR  46   7.727   2.328   1.086
  371    HB   THR  46           HB       THR  46   6.542   4.470   0.437
  372    HG1  THR  46           1HG      THR  46   5.523   5.468   1.946
  373   1HG2  THR  46          1HG2      THR  46   4.221   2.932   1.013
  374   2HG2  THR  46          2HG2      THR  46   5.535   1.854   0.538
  375   3HG2  THR  46          3HG2      THR  46   5.046   3.171  -0.528
  376    H    ALA  47           H        ALA  47   8.511   3.416   4.046
  377    HA   ALA  47           HA       ALA  47  10.258   4.642   4.836
  378   1HB   ALA  47          1HB       ALA  47  12.069   5.122   3.467
  379   2HB   ALA  47          2HB       ALA  47  11.056   5.401   2.052
  380   3HB   ALA  47          3HB       ALA  47  11.308   3.761   2.646
  381    H    GLY  48           H        GLY  48   7.620   5.798   4.250
  382   1HA   GLY  48          2HA       GLY  48   6.762   7.898   4.778
  383   2HA   GLY  48          1HA       GLY  48   8.376   8.572   4.611
  384    H    ALA  49           H        ALA  49   7.155   6.607   2.040
  385    HA   ALA  49           HA       ALA  49   7.443   8.680   0.138
  386   1HB   ALA  49          1HB       ALA  49   6.777   7.116  -1.480
  387   2HB   ALA  49          2HB       ALA  49   5.841   6.181  -0.313
  388   3HB   ALA  49          3HB       ALA  49   7.603   6.165  -0.244
  389    H    LEU  50           H        LEU  50   4.474   6.927   1.063
  390    HA   LEU  50           HA       LEU  50   2.896   9.225   0.180
  391   1HB   LEU  50          2HB       LEU  50   2.006   6.463   1.014
  392   2HB   LEU  50          1HB       LEU  50   0.970   7.717   0.361
  393    HG   LEU  50           HG       LEU  50   3.284   6.914  -1.307
  394   1HD1  LEU  50          1HD1      LEU  50   1.938   4.862  -0.209
  395   2HD1  LEU  50          2HD1      LEU  50   2.613   4.827  -1.837
  396   3HD1  LEU  50          3HD1      LEU  50   0.905   5.198  -1.598
  397   1HD2  LEU  50          1HD2      LEU  50   1.923   7.545  -3.058
  398   2HD2  LEU  50          2HD2      LEU  50   1.384   8.628  -1.776
  399   3HD2  LEU  50          3HD2      LEU  50   0.440   7.192  -2.173
  400    H    LYS  51           H        LYS  51   2.151  10.656   1.593
  401    HA   LYS  51           HA       LYS  51   2.439  10.204   4.423
  402   1HB   LYS  51          2HB       LYS  51   1.435  12.530   4.568
  403   2HB   LYS  51          1HB       LYS  51   2.960  12.396   3.705
  404   1HG   LYS  51          2HG       LYS  51   0.659  12.094   1.956
  405   2HG   LYS  51          1HG       LYS  51   0.679  13.642   2.805
  406   1HD   LYS  51          2HD       LYS  51   3.147  13.766   2.071
  407   2HD   LYS  51          1HD       LYS  51   2.716  12.497   0.924
  408   1HE   LYS  51          2HE       LYS  51   2.582  14.810  -0.002
  409   2HE   LYS  51          1HE       LYS  51   1.080  13.893  -0.116
  410   1HZ   LYS  51          1HZ       LYS  51   0.119  15.124   1.598
  411   2HZ   LYS  51          2HZ       LYS  51   0.938  16.285   0.682
  412   3HZ   LYS  51          3HZ       LYS  51   1.601  15.735   2.138
  413    H    TYR  52           H        TYR  52   0.819  10.089   5.960
  414    HA   TYR  52           HA       TYR  52  -1.607   8.844   5.109
  415   1HB   TYR  52          2HB       TYR  52  -0.279   8.409   7.268
  416   2HB   TYR  52          1HB       TYR  52  -1.066   9.854   7.894
  417    HD1  TYR  52           1HD      TYR  52  -1.552   6.377   6.851
  418    HD2  TYR  52           2HD      TYR  52  -3.439   9.861   8.402
  419    HE1  TYR  52           1HE      TYR  52  -3.508   5.029   7.485
  420    HE2  TYR  52           2HE      TYR  52  -5.399   8.522   9.040
  421    HH   TYR  52           HH       TYR  52  -6.265   5.870   7.908
  422    H    GLN  53           H        GLN  53  -3.752   9.573   5.515
  423    HA   GLN  53           HA       GLN  53  -4.100  12.421   6.059
  424   1HB   GLN  53          2HB       GLN  53  -4.974  11.021   3.539
  425   2HB   GLN  53          1HB       GLN  53  -5.717  12.517   4.086
  426   1HG   GLN  53          2HG       GLN  53  -3.809  13.761   3.706
  427   2HG   GLN  53          1HG       GLN  53  -2.755  12.349   3.764
  428   1HE2  GLN  53          1HE2      GLN  53  -2.911  14.411   1.742
  429   2HE2  GLN  53          2HE2      GLN  53  -3.295  13.617   0.257
  430    H    GLU  54           H        GLU  54  -5.130  11.939   7.971
  431    HA   GLU  54           HA       GLU  54  -7.077   9.994   8.389
  432   1HB   GLU  54          2HB       GLU  54  -7.759  11.388  10.343
  433   2HB   GLU  54          1HB       GLU  54  -6.031  11.073  10.257
  434   1HG   GLU  54          2HG       GLU  54  -6.186  13.413   8.911
  435   2HG   GLU  54          1HG       GLU  54  -7.508  13.600  10.063
  436    H    ASN  55           H        ASN  55  -7.303  12.970   6.691
  437    HA   ASN  55           HA       ASN  55  -9.870  13.821   7.008
  438   1HB   ASN  55          2HB       ASN  55  -8.172  13.653   4.526
  439   2HB   ASN  55          1HB       ASN  55  -9.767  14.400   4.510
  440   1HD2  ASN  55          1HD2      ASN  55  -6.564  14.999   4.800
  441   2HD2  ASN  55          2HD2      ASN  55  -6.619  16.502   5.649
  442    H    ALA  56           H        ALA  56  -9.096  11.797   4.189
  443    HA   ALA  56           HA       ALA  56 -11.700  11.007   3.670
  444   1HB   ALA  56          1HB       ALA  56  -9.481  10.747   2.299
  445   2HB   ALA  56          2HB       ALA  56 -10.840   9.662   2.031
  446   3HB   ALA  56          3HB       ALA  56  -9.483   9.139   3.022
  447    H    TYR  57           H        TYR  57  -9.404   9.724   5.947
  448    HA   TYR  57           HA       TYR  57 -10.850   7.276   6.397
  449   1HB   TYR  57          2HB       TYR  57  -8.650   8.521   8.050
  450   2HB   TYR  57          1HB       TYR  57  -9.217   6.857   8.147
  451    HD1  TYR  57           1HD      TYR  57  -6.526   8.600   7.160
  452    HD2  TYR  57           2HD      TYR  57  -9.348   5.895   5.481
  453    HE1  TYR  57           1HE      TYR  57  -4.875   7.942   5.459
  454    HE2  TYR  57           2HE      TYR  57  -7.706   5.231   3.777
  455    HH   TYR  57           HH       TYR  57  -5.716   6.027   2.725
  456    H    ARG  58           H        ARG  58 -11.230  10.480   7.422
  457    HA   ARG  58           HA       ARG  58 -12.300   9.900  10.030
  458   1HB   ARG  58          2HB       ARG  58 -11.200  12.111   9.066
  459   2HB   ARG  58          1HB       ARG  58 -12.870  12.468   8.621
  460   1HG   ARG  58          2HG       ARG  58 -12.000  11.753  11.412
  461   2HG   ARG  58          1HG       ARG  58 -12.140  13.407  10.813
  462   1HD   ARG  58          2HD       ARG  58 -14.510  13.048  10.347
  463   2HD   ARG  58          1HD       ARG  58 -14.370  11.379  10.897
  464    HE   ARG  58           HE       ARG  58 -13.560  13.292  12.873
  465   1HH1  ARG  58          1HH1      ARG  58 -16.290  11.624  11.483
  466   2HH1  ARG  58          2HH1      ARG  58 -17.270  11.782  12.903
  467   1HH2  ARG  58          1HH2      ARG  58 -14.840  13.502  14.742
  468   2HH2  ARG  58          2HH2      ARG  58 -16.450  12.849  14.753
  469    H    GLN  59           H        GLN  59 -13.960   8.415   9.650
  470    HA   GLN  59           HA       GLN  59 -16.370   9.584   8.417
  471   1HB   GLN  59          2HB       GLN  59 -15.000   7.084   7.807
  472   2HB   GLN  59          1HB       GLN  59 -16.690   6.831   8.221
  473   1HG   GLN  59          2HG       GLN  59 -17.110   7.275   6.084
  474   2HG   GLN  59          1HG       GLN  59 -16.820   8.961   6.512
  475   1HE2  GLN  59          1HE2      GLN  59 -15.990   9.606   4.586
  476   2HE2  GLN  59          2HE2      GLN  59 -14.480   9.040   3.956
  477    H    ALA  60           H        ALA  60 -17.920   9.871   9.859
  478    HA   ALA  60           HA       ALA  60 -17.810   8.675  12.460
  479   1HB   ALA  60          1HB       ALA  60 -18.760  11.006  11.649
  480   2HB   ALA  60          2HB       ALA  60 -19.400  10.186  13.073
  481   3HB   ALA  60          3HB       ALA  60 -20.260  10.077  11.533
  482    H    ALA  61           H        ALA  61 -20.040   7.837  13.345
  483    HA   ALA  61           HA       ALA  61 -21.070   5.831  11.443
  484   1HB   ALA  61          1HB       ALA  61 -21.180   4.204  13.190
  485   2HB   ALA  61          2HB       ALA  61 -20.720   5.398  14.404
  486   3HB   ALA  61          3HB       ALA  61 -19.550   4.884  13.185
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -5.871   7.755   1.357
    2   2H    MET   1          2HT       MET   1  -4.224   8.142   1.646
    3   3H    MET   1          3HT       MET   1  -4.700   6.508   1.442
    4    HA   MET   1           HA       MET   1  -4.940   8.602  -0.609
    5   1HB   MET   1          2HB       MET   1  -3.027   7.224  -1.630
    6   2HB   MET   1          1HB       MET   1  -2.629   8.300  -0.298
    7   1HG   MET   1          2HG       MET   1  -2.760   6.363   1.240
    8   2HG   MET   1          1HG       MET   1  -3.014   5.320  -0.157
    9   1HE   MET   1          1HE       MET   1  -1.093   5.128   2.107
   10   2HE   MET   1          2HE       MET   1   0.070   6.451   2.163
   11   3HE   MET   1          3HE       MET   1   0.551   4.883   1.516
   12    H    TYR   2           H        TYR   2  -4.660   7.177  -2.790
   13    HA   TYR   2           HA       TYR   2  -6.994   5.448  -2.778
   14   1HB   TYR   2          2HB       TYR   2  -5.500   6.997  -4.791
   15   2HB   TYR   2          1HB       TYR   2  -6.137   5.460  -5.367
   16    HD1  TYR   2           1HD      TYR   2  -7.588   7.860  -2.913
   17    HD2  TYR   2           2HD      TYR   2  -7.939   6.017  -6.732
   18    HE1  TYR   2           1HE      TYR   2  -9.801   8.892  -3.201
   19    HE2  TYR   2           2HE      TYR   2 -10.150   7.045  -7.031
   20    HH   TYR   2           HH       TYR   2 -11.450   8.885  -6.211
   21    H    LYS   3           H        LYS   3  -6.978   3.378  -3.903
   22    HA   LYS   3           HA       LYS   3  -4.871   1.706  -2.989
   23   1HB   LYS   3          2HB       LYS   3  -7.149   0.878  -3.133
   24   2HB   LYS   3          1HB       LYS   3  -7.175   1.155  -4.868
   25   1HG   LYS   3          2HG       LYS   3  -4.984  -0.492  -4.498
   26   2HG   LYS   3          1HG       LYS   3  -6.182  -1.112  -3.360
   27   1HD   LYS   3          2HD       LYS   3  -7.753  -0.776  -5.503
   28   2HD   LYS   3          1HD       LYS   3  -6.216  -1.055  -6.322
   29   1HE   LYS   3          2HE       LYS   3  -7.411  -2.862  -4.223
   30   2HE   LYS   3          1HE       LYS   3  -7.522  -3.126  -5.962
   31   1HZ   LYS   3          1HZ       LYS   3  -5.367  -3.754  -6.100
   32   2HZ   LYS   3          2HZ       LYS   3  -5.628  -4.202  -4.490
   33   3HZ   LYS   3          3HZ       LYS   3  -4.855  -2.741  -4.845
   34    H    LYS   4           H        LYS   4  -5.596   3.259  -6.029
   35    HA   LYS   4           HA       LYS   4  -3.951   1.727  -7.714
   36   1HB   LYS   4          2HB       LYS   4  -5.707   3.509  -8.322
   37   2HB   LYS   4          1HB       LYS   4  -4.416   4.678  -8.074
   38   1HG   LYS   4          2HG       LYS   4  -3.387   4.146  -9.996
   39   2HG   LYS   4          1HG       LYS   4  -3.726   2.423  -9.823
   40   1HD   LYS   4          2HD       LYS   4  -5.727   2.567 -10.912
   41   2HD   LYS   4          1HD       LYS   4  -6.017   4.226 -10.384
   42   1HE   LYS   4          2HE       LYS   4  -3.728   3.809 -12.204
   43   2HE   LYS   4          1HE       LYS   4  -5.329   3.561 -12.898
   44   1HZ   LYS   4          1HZ       LYS   4  -4.598   6.001 -11.385
   45   2HZ   LYS   4          2HZ       LYS   4  -5.950   5.757 -12.372
   46   3HZ   LYS   4          3HZ       LYS   4  -4.411   5.873 -13.061
   47    H    ASP   5           H        ASP   5  -3.276   4.576  -5.733
   48    HA   ASP   5           HA       ASP   5  -0.671   5.071  -6.648
   49   1HB   ASP   5          2HB       ASP   5  -2.257   6.444  -5.058
   50   2HB   ASP   5          1HB       ASP   5  -1.406   5.569  -3.789
   51    H    VAL   6           H        VAL   6  -1.817   3.131  -3.895
   52    HA   VAL   6           HA       VAL   6   0.642   2.365  -2.874
   53    HB   VAL   6           HB       VAL   6  -1.709   0.499  -2.899
   54   1HG1  VAL   6          1HG1      VAL   6   0.163  -0.373  -1.782
   55   2HG1  VAL   6          2HG1      VAL   6  -0.911   0.223  -0.516
   56   3HG1  VAL   6          3HG1      VAL   6   0.501   1.166  -0.992
   57   1HG2  VAL   6          1HG2      VAL   6  -2.953   2.299  -2.274
   58   2HG2  VAL   6          2HG2      VAL   6  -1.553   3.205  -1.699
   59   3HG2  VAL   6          3HG2      VAL   6  -2.241   1.920  -0.705
   60    H    ILE   7           H        ILE   7  -1.339   0.853  -5.395
   61    HA   ILE   7           HA       ILE   7   0.390  -1.376  -5.774
   62    HB   ILE   7           HB       ILE   7  -1.705  -0.210  -7.614
   63   1HG1  ILE   7          2HG1      ILE   7  -1.802  -2.525  -5.668
   64   2HG1  ILE   7          1HG1      ILE   7  -2.612  -0.973  -5.474
   65   1HG2  ILE   7          1HG2      ILE   7  -0.309  -2.881  -7.726
   66   2HG2  ILE   7          2HG2      ILE   7  -0.104  -1.546  -8.862
   67   3HG2  ILE   7          3HG2      ILE   7  -1.654  -2.380  -8.752
   68   1HD1  ILE   7          1HD1      ILE   7  -3.397  -2.042  -7.972
   69   2HD1  ILE   7          2HD1      ILE   7  -4.375  -1.783  -6.526
   70   3HD1  ILE   7          3HD1      ILE   7  -3.542  -3.319  -6.764
   71    H    ASP   8           H        ASP   8   0.145   1.817  -7.218
   72    HA   ASP   8           HA       ASP   8   2.022   1.279  -9.314
   73   1HB   ASP   8          2HB       ASP   8   0.251   3.413  -8.583
   74   2HB   ASP   8          1HB       ASP   8   1.864   4.074  -8.837
   75    H    HIS   9           H        HIS   9   2.197   2.231  -6.008
   76    HA   HIS   9           HA       HIS   9   4.862   3.315  -6.217
   77   1HB   HIS   9          2HB       HIS   9   3.443   4.312  -4.562
   78   2HB   HIS   9          1HB       HIS   9   3.059   2.744  -3.863
   79    HD1  HIS   9           1HD      HIS   9   5.073   5.591  -3.227
   80    HD2  HIS   9           2HD      HIS   9   5.632   1.493  -2.821
   81    HE1  HIS   9           1HE      HIS   9   6.964   5.327  -1.589
   82    HE2  HIS   9           2HE      HIS   9   7.240   2.840  -1.310
   83    H    PHE  10           H        PHE  10   3.341   0.280  -5.475
   84    HA   PHE  10           HA       PHE  10   5.829  -0.854  -4.471
   85   1HB   PHE  10          2HB       PHE  10   3.001  -1.863  -4.636
   86   2HB   PHE  10          1HB       PHE  10   4.339  -2.954  -4.287
   87    HD1  PHE  10           1HD      PHE  10   4.222  -3.539  -2.065
   88    HD2  PHE  10           2HD      PHE  10   3.627   0.526  -3.166
   89    HE1  PHE  10           1HE      PHE  10   4.110  -2.915   0.311
   90    HE2  PHE  10           2HE      PHE  10   3.512   1.158  -0.794
   91    HZ   PHE  10           HZ       PHE  10   3.756  -0.564   0.951
   92    H    GLY  11           H        GLY  11   3.502  -1.418  -7.101
   93   1HA   GLY  11          2HA       GLY  11   4.326  -1.812  -9.344
   94   2HA   GLY  11          1HA       GLY  11   5.701  -2.645  -8.637
   95    H    THR  12           H        THR  12   3.941  -4.048  -6.697
   96    HA   THR  12           HA       THR  12   2.408  -5.802  -8.468
   97    HB   THR  12           HB       THR  12   3.481  -7.720  -6.991
   98    HG1  THR  12           1HG      THR  12   5.538  -7.293  -6.375
   99   1HG2  THR  12          1HG2      THR  12   3.716  -7.882  -9.316
  100   2HG2  THR  12          2HG2      THR  12   5.357  -7.931  -8.670
  101   3HG2  THR  12          3HG2      THR  12   4.739  -6.447  -9.396
  102    H    GLN  13           H        GLN  13   1.012  -7.318  -7.254
  103    HA   GLN  13           HA       GLN  13  -0.284  -5.937  -5.095
  104   1HB   GLN  13          2HB       GLN  13  -0.893  -8.167  -6.888
  105   2HB   GLN  13          1HB       GLN  13  -1.474  -8.425  -5.249
  106   1HG   GLN  13          2HG       GLN  13  -2.817  -6.490  -5.315
  107   2HG   GLN  13          1HG       GLN  13  -2.039  -5.910  -6.786
  108   1HE2  GLN  13          1HE2      GLN  13  -4.750  -6.060  -6.652
  109   2HE2  GLN  13          2HE2      GLN  13  -5.325  -7.327  -7.675
  110    H    ARG  14           H        ARG  14   1.270  -9.128  -5.427
  111    HA   ARG  14           HA       ARG  14   1.044 -10.012  -2.828
  112   1HB   ARG  14          2HB       ARG  14   2.366 -10.858  -5.119
  113   2HB   ARG  14          1HB       ARG  14   3.659 -10.640  -3.948
  114   1HG   ARG  14          2HG       ARG  14   1.964 -11.989  -2.411
  115   2HG   ARG  14          1HG       ARG  14   1.433 -12.589  -3.983
  116   1HD   ARG  14          2HD       ARG  14   4.344 -12.524  -3.591
  117   2HD   ARG  14          1HD       ARG  14   3.476 -13.643  -2.540
  118    HE   ARG  14           HE       ARG  14   2.532 -14.028  -5.127
  119   1HH1  ARG  14          1HH1      ARG  14   5.521 -14.397  -3.365
  120   2HH1  ARG  14          2HH1      ARG  14   6.090 -15.699  -4.354
  121   1HH2  ARG  14          1HH2      ARG  14   3.279 -15.741  -6.431
  122   2HH2  ARG  14          2HH2      ARG  14   4.818 -16.463  -6.096
  123    H    ALA  15           H        ALA  15   3.211  -7.614  -4.142
  124    HA   ALA  15           HA       ALA  15   5.066  -7.521  -2.015
  125   1HB   ALA  15          1HB       ALA  15   5.130  -6.450  -4.399
  126   2HB   ALA  15          2HB       ALA  15   5.959  -5.670  -3.051
  127   3HB   ALA  15          3HB       ALA  15   4.387  -5.074  -3.582
  128    H    VAL  16           H        VAL  16   2.148  -5.605  -2.681
  129    HA   VAL  16           HA       VAL  16   2.292  -3.943  -0.439
  130    HB   VAL  16           HB       VAL  16  -0.436  -4.709  -1.270
  131   1HG1  VAL  16          1HG1      VAL  16  -0.563  -2.204  -1.503
  132   2HG1  VAL  16          2HG1      VAL  16   1.102  -2.154  -0.922
  133   3HG1  VAL  16          3HG1      VAL  16  -0.172  -2.809   0.107
  134   1HG2  VAL  16          1HG2      VAL  16  -0.120  -3.291  -3.396
  135   2HG2  VAL  16          2HG2      VAL  16   0.390  -4.978  -3.437
  136   3HG2  VAL  16          3HG2      VAL  16   1.590  -3.698  -3.241
  137    H    ALA  17           H        ALA  17   1.037  -7.186  -0.847
  138    HA   ALA  17           HA       ALA  17  -0.242  -7.278   1.721
  139   1HB   ALA  17          1HB       ALA  17   0.431  -9.839   0.468
  140   2HB   ALA  17          2HB       ALA  17  -0.484  -8.740  -0.563
  141   3HB   ALA  17          3HB       ALA  17  -1.125  -9.212   1.011
  142    H    LYS  18           H        LYS  18   2.924  -7.982   0.468
  143    HA   LYS  18           HA       LYS  18   3.744  -9.540   2.751
  144   1HB   LYS  18          2HB       LYS  18   4.686  -9.875   0.465
  145   2HB   LYS  18          1HB       LYS  18   5.452  -8.298   0.589
  146   1HG   LYS  18          2HG       LYS  18   6.903  -9.021   2.294
  147   2HG   LYS  18          1HG       LYS  18   5.963 -10.487   2.579
  148   1HD   LYS  18          2HD       LYS  18   7.314  -9.929  -0.049
  149   2HD   LYS  18          1HD       LYS  18   8.142 -10.741   1.282
  150   1HE   LYS  18          2HE       LYS  18   6.798 -12.612   1.153
  151   2HE   LYS  18          1HE       LYS  18   5.475 -11.736   0.384
  152   1HZ   LYS  18          1HZ       LYS  18   7.967 -12.750  -0.833
  153   2HZ   LYS  18          2HZ       LYS  18   7.087 -11.506  -1.569
  154   3HZ   LYS  18          3HZ       LYS  18   6.366 -13.014  -1.316
  155    H    ALA  19           H        ALA  19   3.832  -6.200   1.770
  156    HA   ALA  19           HA       ALA  19   5.829  -5.336   3.599
  157   1HB   ALA  19          1HB       ALA  19   3.723  -3.935   1.994
  158   2HB   ALA  19          2HB       ALA  19   5.478  -3.879   1.822
  159   3HB   ALA  19          3HB       ALA  19   4.698  -3.058   3.174
  160    H    LEU  20           H        LEU  20   2.268  -5.144   3.683
  161    HA   LEU  20           HA       LEU  20   2.276  -4.179   6.396
  162   1HB   LEU  20          2HB       LEU  20  -0.066  -5.200   4.797
  163   2HB   LEU  20          1HB       LEU  20  -0.123  -4.181   6.222
  164    HG   LEU  20           HG       LEU  20   1.197  -3.267   3.679
  165   1HD1  LEU  20          1HD1      LEU  20  -1.126  -1.951   3.623
  166   2HD1  LEU  20          2HD1      LEU  20  -1.677  -3.466   4.337
  167   3HD1  LEU  20          3HD1      LEU  20  -0.864  -3.473   2.772
  168   1HD2  LEU  20          1HD2      LEU  20  -0.033  -1.737   5.967
  169   2HD2  LEU  20          2HD2      LEU  20   0.867  -1.070   4.604
  170   3HD2  LEU  20          3HD2      LEU  20   1.688  -2.077   5.796
  171    H    GLY  21           H        GLY  21   1.790  -7.245   4.764
  172   1HA   GLY  21          2HA       GLY  21   2.382  -9.269   5.966
  173   2HA   GLY  21          1HA       GLY  21   1.701  -8.541   7.414
  174    H    ILE  22           H        ILE  22   0.041  -8.212   4.387
  175    HA   ILE  22           HA       ILE  22  -2.000 -10.103   5.353
  176    HB   ILE  22           HB       ILE  22  -3.627  -8.819   4.014
  177   1HG1  ILE  22          2HG1      ILE  22  -1.310  -6.919   3.583
  178   2HG1  ILE  22          1HG1      ILE  22  -2.077  -7.907   2.342
  179   1HG2  ILE  22          1HG2      ILE  22  -3.506  -6.702   5.440
  180   2HG2  ILE  22          2HG2      ILE  22  -2.055  -7.414   6.146
  181   3HG2  ILE  22          3HG2      ILE  22  -3.601  -8.250   6.282
  182   1HD1  ILE  22          1HD1      ILE  22  -4.220  -6.669   2.910
  183   2HD1  ILE  22          2HD1      ILE  22  -2.963  -5.762   2.069
  184   3HD1  ILE  22          3HD1      ILE  22  -3.197  -5.544   3.803
  185    H    SER  23           H        SER  23  -3.498 -10.625   3.259
  186    HA   SER  23           HA       SER  23  -1.678 -12.020   1.448
  187   1HB   SER  23          2HB       SER  23  -3.730 -13.274   0.765
  188   2HB   SER  23          1HB       SER  23  -3.370 -13.406   2.487
  189    HG   SER  23           HG       SER  23  -5.504 -12.215   1.209
  190    H    ASP  24           H        ASP  24  -2.154 -12.085  -0.860
  191    HA   ASP  24           HA       ASP  24  -2.351  -9.547  -2.002
  192   1HB   ASP  24          2HB       ASP  24  -2.698 -10.834  -4.169
  193   2HB   ASP  24          1HB       ASP  24  -1.249 -11.237  -3.253
  194    H    ALA  25           H        ALA  25  -4.812 -11.899  -1.241
  195    HA   ALA  25           HA       ALA  25  -6.885 -10.920  -2.866
  196   1HB   ALA  25          1HB       ALA  25  -6.855 -13.107  -1.636
  197   2HB   ALA  25          2HB       ALA  25  -8.365 -12.206  -1.518
  198   3HB   ALA  25          3HB       ALA  25  -7.232 -12.208  -0.167
  199    H    ALA  26           H        ALA  26  -5.934 -10.114   0.454
  200    HA   ALA  26           HA       ALA  26  -8.036  -8.370   1.054
  201   1HB   ALA  26          1HB       ALA  26  -6.509  -7.426   2.756
  202   2HB   ALA  26          2HB       ALA  26  -5.189  -8.357   2.050
  203   3HB   ALA  26          3HB       ALA  26  -6.561  -9.189   2.778
  204    H    VAL  27           H        VAL  27  -4.870  -7.730  -0.415
  205    HA   VAL  27           HA       VAL  27  -5.109  -4.939  -0.583
  206    HB   VAL  27           HB       VAL  27  -3.580  -6.786  -2.427
  207   1HG1  VAL  27          1HG1      VAL  27  -2.126  -4.739  -2.707
  208   2HG1  VAL  27          2HG1      VAL  27  -3.428  -3.818  -1.954
  209   3HG1  VAL  27          3HG1      VAL  27  -3.714  -4.666  -3.473
  210   1HG2  VAL  27          1HG2      VAL  27  -1.657  -6.261  -0.966
  211   2HG2  VAL  27          2HG2      VAL  27  -2.932  -7.143  -0.126
  212   3HG2  VAL  27          3HG2      VAL  27  -2.748  -5.405   0.123
  213    H    SER  28           H        SER  28  -6.061  -7.506  -2.828
  214    HA   SER  28           HA       SER  28  -6.856  -5.785  -4.932
  215   1HB   SER  28          2HB       SER  28  -8.249  -7.882  -5.596
  216   2HB   SER  28          1HB       SER  28  -6.489  -7.991  -5.611
  217    HG   SER  28           HG       SER  28  -6.529  -9.189  -3.805
  218    H    GLN  29           H        GLN  29  -8.426  -6.914  -2.037
  219    HA   GLN  29           HA       GLN  29 -11.080  -6.290  -2.812
  220   1HB   GLN  29          2HB       GLN  29  -9.702  -7.145  -0.368
  221   2HB   GLN  29          1HB       GLN  29 -11.110  -6.136  -0.077
  222   1HG   GLN  29          2HG       GLN  29 -12.540  -7.738  -0.695
  223   2HG   GLN  29          1HG       GLN  29 -11.530  -8.272  -2.035
  224   1HE2  GLN  29          1HE2      GLN  29 -12.080 -10.425  -1.398
  225   2HE2  GLN  29          2HE2      GLN  29 -11.250 -11.187  -0.090
  226    H    TRP  30           H        TRP  30  -8.431  -4.390  -1.742
  227    HA   TRP  30           HA       TRP  30  -9.618  -2.271  -0.433
  228   1HB   TRP  30          2HB       TRP  30  -7.258  -2.406  -2.297
  229   2HB   TRP  30          1HB       TRP  30  -7.753  -0.885  -1.562
  230    HD1  TRP  30           HD       TRP  30  -8.524  -2.928   1.170
  231    HE1  TRP  30           1HE      TRP  30  -6.550  -3.287   2.782
  232    HE3  TRP  30           3HE      TRP  30  -4.693  -1.509  -1.904
  233    HZ2  TRP  30           2HZ      TRP  30  -3.740  -3.011   2.753
  234    HZ3  TRP  30           3HZ      TRP  30  -2.393  -1.586  -1.034
  235    HH2  TRP  30           HH       TRP  30  -1.928  -2.320   1.246
  236    H    LYS  31           H        LYS  31 -10.750  -0.482  -1.004
  237    HA   LYS  31           HA       LYS  31 -11.860  -0.449  -3.703
  238   1HB   LYS  31          2HB       LYS  31 -13.550   1.039  -2.807
  239   2HB   LYS  31          1HB       LYS  31 -13.380  -0.358  -1.755
  240   1HG   LYS  31          2HG       LYS  31 -11.640   1.360  -0.590
  241   2HG   LYS  31          1HG       LYS  31 -12.850   2.478  -1.227
  242   1HD   LYS  31          2HD       LYS  31 -14.590   1.466   0.002
  243   2HD   LYS  31          1HD       LYS  31 -13.610   0.043   0.363
  244   1HE   LYS  31          2HE       LYS  31 -12.060   1.884   1.497
  245   2HE   LYS  31          1HE       LYS  31 -13.600   2.732   1.620
  246   1HZ   LYS  31          1HZ       LYS  31 -12.680   0.361   3.011
  247   2HZ   LYS  31          2HZ       LYS  31 -14.290   0.311   2.494
  248   3HZ   LYS  31          3HZ       LYS  31 -13.760   1.557   3.511
  249    H    GLU  32           H        GLU  32 -12.540   2.213  -3.968
  250    HA   GLU  32           HA       GLU  32 -10.370   3.347  -5.206
  251   1HB   GLU  32          2HB       GLU  32 -13.020   4.210  -4.417
  252   2HB   GLU  32          1HB       GLU  32 -11.870   5.532  -4.299
  253   1HG   GLU  32          2HG       GLU  32 -11.800   5.782  -6.498
  254   2HG   GLU  32          1HG       GLU  32 -11.510   4.063  -6.754
  255    H    VAL  33           H        VAL  33 -11.180   3.382  -1.824
  256    HA   VAL  33           HA       VAL  33  -8.736   4.944  -1.306
  257    HB   VAL  33           HB       VAL  33 -11.190   5.071   0.433
  258   1HG1  VAL  33          1HG1      VAL  33  -8.526   6.395   0.420
  259   2HG1  VAL  33          2HG1      VAL  33  -9.443   5.721   1.766
  260   3HG1  VAL  33          3HG1      VAL  33  -9.920   7.266   1.062
  261   1HG2  VAL  33          1HG2      VAL  33 -12.080   6.227  -1.298
  262   2HG2  VAL  33          2HG2      VAL  33 -10.500   6.570  -2.014
  263   3HG2  VAL  33          3HG2      VAL  33 -11.080   7.528  -0.648
  264    H    ILE  34           H        ILE  34  -7.286   3.775  -0.237
  265    HA   ILE  34           HA       ILE  34  -7.771   1.213   0.787
  266    HB   ILE  34           HB       ILE  34  -5.543   1.573   2.009
  267   1HG1  ILE  34          2HG1      ILE  34  -5.305   3.972   0.214
  268   2HG1  ILE  34          1HG1      ILE  34  -5.892   4.138   1.865
  269   1HG2  ILE  34          1HG2      ILE  34  -4.406   0.929   0.131
  270   2HG2  ILE  34          2HG2      ILE  34  -5.229   2.097  -0.902
  271   3HG2  ILE  34          3HG2      ILE  34  -6.069   0.636  -0.383
  272   1HD1  ILE  34          1HD1      ILE  34  -3.796   3.070   2.650
  273   2HD1  ILE  34          2HD1      ILE  34  -3.557   4.613   1.830
  274   3HD1  ILE  34          3HD1      ILE  34  -3.212   3.102   0.987
  275    HA   PRO  35           HA       PRO  35  -9.440   1.568   4.836
  276   1HB   PRO  35          2HB       PRO  35  -7.101   0.002   5.811
  277   2HB   PRO  35          1HB       PRO  35  -8.829  -0.301   6.029
  278   1HG   PRO  35          2HG       PRO  35  -7.409  -1.743   4.301
  279   2HG   PRO  35          1HG       PRO  35  -9.064  -1.234   3.917
  280   1HD   PRO  35          2HD       PRO  35  -6.466  -0.150   2.921
  281   2HD   PRO  35          1HD       PRO  35  -8.009  -0.349   2.066
  282    H    GLU  36           H        GLU  36  -8.674   2.007   7.209
  283    HA   GLU  36           HA       GLU  36  -7.156   4.457   7.122
  284   1HB   GLU  36          2HB       GLU  36  -9.164   4.351   8.490
  285   2HB   GLU  36          1HB       GLU  36  -8.497   3.012   9.414
  286   1HG   GLU  36          2HG       GLU  36  -6.752   4.463  10.287
  287   2HG   GLU  36          1HG       GLU  36  -7.378   5.807   9.333
  288    H    LYS  37           H        LYS  37  -6.872   1.368   8.877
  289    HA   LYS  37           HA       LYS  37  -4.346   1.966  10.005
  290   1HB   LYS  37          2HB       LYS  37  -5.517  -0.771   9.486
  291   2HB   LYS  37          1HB       LYS  37  -4.270  -0.362  10.657
  292   1HG   LYS  37          2HG       LYS  37  -5.828   0.873  11.985
  293   2HG   LYS  37          1HG       LYS  37  -7.080   0.707  10.754
  294   1HD   LYS  37          2HD       LYS  37  -7.658  -0.932  12.292
  295   2HD   LYS  37          1HD       LYS  37  -6.736  -1.837  11.091
  296   1HE   LYS  37          2HE       LYS  37  -4.784  -1.813  12.477
  297   2HE   LYS  37          1HE       LYS  37  -5.547  -0.705  13.617
  298   1HZ   LYS  37          1HZ       LYS  37  -5.878  -2.674  14.678
  299   2HZ   LYS  37          2HZ       LYS  37  -5.968  -3.577  13.252
  300   3HZ   LYS  37          3HZ       LYS  37  -7.290  -2.644  13.745
  301    H    ASP  38           H        ASP  38  -5.286   0.925   6.871
  302    HA   ASP  38           HA       ASP  38  -2.760  -0.286   6.204
  303   1HB   ASP  38          2HB       ASP  38  -5.043   0.608   4.425
  304   2HB   ASP  38          1HB       ASP  38  -3.661  -0.352   3.905
  305    H    ALA  39           H        ALA  39  -4.436   2.742   5.403
  306    HA   ALA  39           HA       ALA  39  -2.427   3.883   3.830
  307   1HB   ALA  39          1HB       ALA  39  -3.535   5.983   4.175
  308   2HB   ALA  39          2HB       ALA  39  -4.344   5.371   5.619
  309   3HB   ALA  39          3HB       ALA  39  -4.760   4.722   4.032
  310    H    TYR  40           H        TYR  40  -2.753   3.593   7.293
  311    HA   TYR  40           HA       TYR  40  -0.723   5.539   7.897
  312   1HB   TYR  40          2HB       TYR  40  -2.492   5.116   9.510
  313   2HB   TYR  40          1HB       TYR  40  -2.036   3.414   9.608
  314    HD1  TYR  40           1HD      TYR  40   0.071   2.762  10.723
  315    HD2  TYR  40           2HD      TYR  40  -1.304   6.787  10.736
  316    HE1  TYR  40           1HE      TYR  40   1.607   3.276  12.575
  317    HE2  TYR  40           2HE      TYR  40   0.227   7.313  12.586
  318    HH   TYR  40           HH       TYR  40   2.749   5.307  13.511
  319    H    ARG  41           H        ARG  41  -0.902   1.985   8.104
  320    HA   ARG  41           HA       ARG  41   1.816   1.627   8.787
  321   1HB   ARG  41          2HB       ARG  41  -0.190  -0.262   7.553
  322   2HB   ARG  41          1HB       ARG  41   1.410  -0.751   8.096
  323   1HG   ARG  41          2HG       ARG  41   0.855  -0.084  10.372
  324   2HG   ARG  41          1HG       ARG  41  -0.744   0.437   9.834
  325   1HD   ARG  41          2HD       ARG  41  -1.432  -1.751   9.385
  326   2HD   ARG  41          1HD       ARG  41   0.220  -2.366   9.376
  327    HE   ARG  41           HE       ARG  41  -1.491  -2.133  11.626
  328   1HH1  ARG  41          1HH1      ARG  41   1.851  -1.841  10.662
  329   2HH1  ARG  41          2HH1      ARG  41   2.467  -2.225  12.234
  330   1HH2  ARG  41          1HH2      ARG  41  -0.680  -2.637  13.694
  331   2HH2  ARG  41          2HH2      ARG  41   1.031  -2.677  13.954
  332    H    LEU  42           H        LEU  42   0.243   2.238   5.788
  333    HA   LEU  42           HA       LEU  42   2.125   1.061   4.043
  334   1HB   LEU  42          2HB       LEU  42   0.012   3.157   3.750
  335   2HB   LEU  42          1HB       LEU  42   1.143   2.875   2.439
  336    HG   LEU  42           HG       LEU  42  -0.415   0.596   3.612
  337   1HD1  LEU  42          1HD1      LEU  42  -2.051   0.994   1.740
  338   2HD1  LEU  42          2HD1      LEU  42  -1.355   2.607   1.582
  339   3HD1  LEU  42          3HD1      LEU  42  -2.140   2.130   3.086
  340   1HD2  LEU  42          1HD2      LEU  42   0.891   1.157   0.958
  341   2HD2  LEU  42          2HD2      LEU  42  -0.150  -0.232   1.264
  342   3HD2  LEU  42          3HD2      LEU  42   1.358  -0.047   2.158
  343    H    GLU  43           H        GLU  43   2.020   4.119   5.717
  344    HA   GLU  43           HA       GLU  43   3.924   5.508   4.183
  345   1HB   GLU  43          2HB       GLU  43   2.379   6.437   5.986
  346   2HB   GLU  43          1HB       GLU  43   3.539   5.824   7.158
  347   1HG   GLU  43          2HG       GLU  43   5.046   7.276   5.313
  348   2HG   GLU  43          1HG       GLU  43   3.602   8.241   5.608
  349    H    ILE  44           H        ILE  44   4.302   3.611   7.168
  350    HA   ILE  44           HA       ILE  44   7.062   3.886   7.418
  351    HB   ILE  44           HB       ILE  44   5.462   1.487   8.280
  352   1HG1  ILE  44          2HG1      ILE  44   5.602   3.082  10.470
  353   2HG1  ILE  44          1HG1      ILE  44   5.454   4.292   9.206
  354   1HG2  ILE  44          1HG2      ILE  44   7.987   2.738   9.348
  355   2HG2  ILE  44          2HG2      ILE  44   7.854   1.202   8.493
  356   3HG2  ILE  44          3HG2      ILE  44   7.129   1.387  10.089
  357   1HD1  ILE  44          1HD1      ILE  44   3.474   2.484  10.305
  358   2HD1  ILE  44          2HD1      ILE  44   3.534   2.453   8.544
  359   3HD1  ILE  44          3HD1      ILE  44   3.269   3.978   9.387
  360    H    VAL  45           H        VAL  45   5.180   1.295   5.830
  361    HA   VAL  45           HA       VAL  45   7.350  -0.337   5.156
  362    HB   VAL  45           HB       VAL  45   5.897  -1.190   3.298
  363   1HG1  VAL  45          1HG1      VAL  45   5.535  -2.503   5.099
  364   2HG1  VAL  45          2HG1      VAL  45   3.957  -1.719   5.084
  365   3HG1  VAL  45          3HG1      VAL  45   5.221  -1.136   6.167
  366   1HG2  VAL  45          1HG2      VAL  45   4.713   0.854   2.770
  367   2HG2  VAL  45          2HG2      VAL  45   3.981   0.864   4.374
  368   3HG2  VAL  45          3HG2      VAL  45   3.571  -0.409   3.227
  369    H    THR  46           H        THR  46   5.890   2.347   3.372
  370    HA   THR  46           HA       THR  46   7.709   2.050   1.159
  371    HB   THR  46           HB       THR  46   6.580   4.140   0.358
  372    HG1  THR  46           1HG      THR  46   4.838   3.767   2.543
  373   1HG2  THR  46          1HG2      THR  46   4.774   3.059  -0.463
  374   2HG2  THR  46          2HG2      THR  46   4.359   2.342   1.094
  375   3HG2  THR  46          3HG2      THR  46   5.675   1.665   0.135
  376    H    ALA  47           H        ALA  47   9.080   2.480   3.608
  377    HA   ALA  47           HA       ALA  47  10.668   3.783   4.600
  378   1HB   ALA  47          1HB       ALA  47  11.087   4.988   1.883
  379   2HB   ALA  47          2HB       ALA  47  11.548   3.328   2.255
  380   3HB   ALA  47          3HB       ALA  47  12.279   4.664   3.142
  381    H    GLY  48           H        GLY  48   7.925   4.920   4.427
  382   1HA   GLY  48          2HA       GLY  48   6.983   6.851   5.280
  383   2HA   GLY  48          1HA       GLY  48   8.590   7.550   5.372
  384    H    ALA  49           H        ALA  49   8.178   6.403   2.282
  385    HA   ALA  49           HA       ALA  49   8.162   8.949   1.105
  386   1HB   ALA  49          1HB       ALA  49   7.734   6.182   0.039
  387   2HB   ALA  49          2HB       ALA  49   9.097   7.275  -0.209
  388   3HB   ALA  49          3HB       ALA  49   7.556   7.593  -1.005
  389    H    LEU  50           H        LEU  50   5.570   6.532   1.410
  390    HA   LEU  50           HA       LEU  50   3.611   8.300   0.256
  391   1HB   LEU  50          2HB       LEU  50   3.529   5.563   1.478
  392   2HB   LEU  50          1HB       LEU  50   2.042   6.431   1.146
  393    HG   LEU  50           HG       LEU  50   4.127   5.706  -0.912
  394   1HD1  LEU  50          1HD1      LEU  50   2.554   4.072  -1.706
  395   2HD1  LEU  50          2HD1      LEU  50   1.374   4.558  -0.490
  396   3HD1  LEU  50          3HD1      LEU  50   2.875   3.775   0.002
  397   1HD2  LEU  50          1HD2      LEU  50   2.217   6.355  -2.468
  398   2HD2  LEU  50          2HD2      LEU  50   3.082   7.667  -1.668
  399   3HD2  LEU  50          3HD2      LEU  50   1.503   7.159  -1.070
  400    H    LYS  51           H        LYS  51   2.821   9.964   1.350
  401    HA   LYS  51           HA       LYS  51   2.904  10.057   4.227
  402   1HB   LYS  51          2HB       LYS  51   3.191  11.996   2.483
  403   2HB   LYS  51          1HB       LYS  51   1.436  12.068   2.563
  404   1HG   LYS  51          2HG       LYS  51   2.117  13.636   4.127
  405   2HG   LYS  51          1HG       LYS  51   1.762  12.211   5.106
  406   1HD   LYS  51          2HD       LYS  51   3.796  12.740   5.984
  407   2HD   LYS  51          1HD       LYS  51   4.335  11.730   4.639
  408   1HE   LYS  51          2HE       LYS  51   5.655  13.509   4.203
  409   2HE   LYS  51          1HE       LYS  51   4.205  14.106   3.397
  410   1HZ   LYS  51          1HZ       LYS  51   5.151  15.780   4.850
  411   2HZ   LYS  51          2HZ       LYS  51   5.025  14.744   6.180
  412   3HZ   LYS  51          3HZ       LYS  51   3.628  15.310   5.415
  413    H    TYR  52           H        TYR  52   1.363   9.440   5.574
  414    HA   TYR  52           HA       TYR  52  -1.160   8.480   4.552
  415   1HB   TYR  52          2HB       TYR  52  -0.228   7.120   6.240
  416   2HB   TYR  52          1HB       TYR  52   0.141   8.497   7.268
  417    HD1  TYR  52           1HD      TYR  52  -3.005   7.280   5.611
  418    HD2  TYR  52           2HD      TYR  52  -1.055   8.400   9.226
  419    HE1  TYR  52           1HE      TYR  52  -5.086   6.911   6.841
  420    HE2  TYR  52           2HE      TYR  52  -3.146   8.042  10.465
  421    HH   TYR  52           HH       TYR  52  -6.156   7.574   8.900
  422    H    GLN  53           H        GLN  53  -3.023   9.553   4.525
  423    HA   GLN  53           HA       GLN  53  -3.238  12.011   6.133
  424   1HB   GLN  53          2HB       GLN  53  -4.588  11.587   3.469
  425   2HB   GLN  53          1HB       GLN  53  -4.433  13.087   4.373
  426   1HG   GLN  53          2HG       GLN  53  -1.851  11.938   3.770
  427   2HG   GLN  53          1HG       GLN  53  -2.808  12.202   2.313
  428   1HE2  GLN  53          1HE2      GLN  53  -0.447  13.576   2.898
  429   2HE2  GLN  53          2HE2      GLN  53  -0.827  15.244   3.133
  430    H    GLU  54           H        GLU  54  -4.891  12.089   7.498
  431    HA   GLU  54           HA       GLU  54  -6.807   9.910   7.497
  432   1HB   GLU  54          2HB       GLU  54  -6.659  12.175   9.477
  433   2HB   GLU  54          1HB       GLU  54  -7.372  10.584   9.704
  434   1HG   GLU  54          2HG       GLU  54  -5.205   9.552   9.691
  435   2HG   GLU  54          1HG       GLU  54  -4.435  11.085   9.287
  436    H    ASN  55           H        ASN  55  -6.918  12.150   5.477
  437    HA   ASN  55           HA       ASN  55  -9.071  13.845   6.044
  438   1HB   ASN  55          2HB       ASN  55  -9.300  13.935   3.494
  439   2HB   ASN  55          1HB       ASN  55  -7.752  14.428   4.173
  440   1HD2  ASN  55          1HD2      ASN  55  -8.864  13.049   1.604
  441   2HD2  ASN  55          2HD2      ASN  55  -7.698  11.807   1.315
  442    H    ALA  56           H        ALA  56  -9.005  10.767   4.267
  443    HA   ALA  56           HA       ALA  56 -11.920  10.607   4.469
  444   1HB   ALA  56          1HB       ALA  56 -11.890   9.315   2.618
  445   2HB   ALA  56          2HB       ALA  56 -10.450   8.437   3.119
  446   3HB   ALA  56          3HB       ALA  56 -10.300  10.034   2.383
  447    H    TYR  57           H        TYR  57  -9.707  10.082   6.593
  448    HA   TYR  57           HA       TYR  57 -10.880   7.574   7.568
  449   1HB   TYR  57          2HB       TYR  57  -7.978   8.289   7.973
  450   2HB   TYR  57          1HB       TYR  57  -8.769   6.744   8.275
  451    HD1  TYR  57           1HD      TYR  57 -10.150   6.034   5.936
  452    HD2  TYR  57           2HD      TYR  57  -6.461   8.138   6.230
  453    HE1  TYR  57           1HE      TYR  57  -9.542   5.266   3.683
  454    HE2  TYR  57           2HE      TYR  57  -5.844   7.376   3.976
  455    HH   TYR  57           HH       TYR  57  -6.379   6.001   2.277
  456    H    ARG  58           H        ARG  58 -11.420  10.423   8.139
  457    HA   ARG  58           HA       ARG  58 -10.490  10.675  10.903
  458   1HB   ARG  58          2HB       ARG  58 -10.710  12.544   8.919
  459   2HB   ARG  58          1HB       ARG  58 -12.200  12.797   9.805
  460   1HG   ARG  58          2HG       ARG  58 -11.080  13.378  11.767
  461   2HG   ARG  58          1HG       ARG  58  -9.568  12.675  11.213
  462   1HD   ARG  58          2HD       ARG  58 -10.050  14.539   9.284
  463   2HD   ARG  58          1HD       ARG  58 -10.710  15.326  10.713
  464    HE   ARG  58           HE       ARG  58  -8.237  14.362  11.444
  465   1HH1  ARG  58          1HH1      ARG  58  -9.507  16.632   9.117
  466   2HH1  ARG  58          2HH1      ARG  58  -8.085  17.621   9.122
  467   1HH2  ARG  58          1HH2      ARG  58  -6.367  15.661  11.450
  468   2HH2  ARG  58          2HH2      ARG  58  -6.303  17.071  10.445
  469    H    GLN  59           H        GLN  59 -12.280  11.804  12.336
  470    HA   GLN  59           HA       GLN  59 -14.710  10.165  12.074
  471   1HB   GLN  59          2HB       GLN  59 -14.880  10.271  14.539
  472   2HB   GLN  59          1HB       GLN  59 -13.410   9.476  13.992
  473   1HG   GLN  59          2HG       GLN  59 -12.050  11.182  14.705
  474   2HG   GLN  59          1HG       GLN  59 -13.340  12.387  14.607
  475   1HE2  GLN  59          1HE2      GLN  59 -12.270  12.828  16.770
  476   2HE2  GLN  59          2HE2      GLN  59 -12.960  12.037  18.142
  477    H    ALA  60           H        ALA  60 -13.840  13.120  11.376
  478    HA   ALA  60           HA       ALA  60 -14.900  15.121  11.178
  479   1HB   ALA  60          1HB       ALA  60 -17.100  13.207  11.592
  480   2HB   ALA  60          2HB       ALA  60 -16.840  14.381  10.303
  481   3HB   ALA  60          3HB       ALA  60 -17.490  14.907  11.858
  482    H    ALA  61           H        ALA  61 -16.910  13.931  13.842
  483    HA   ALA  61           HA       ALA  61 -15.570  15.820  15.654
  484   1HB   ALA  61          1HB       ALA  61 -18.400  15.809  14.809
  485   2HB   ALA  61          2HB       ALA  61 -17.370  17.145  15.331
  486   3HB   ALA  61          3HB       ALA  61 -18.090  16.068  16.527
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -4.752   8.638   1.138
    2   2H    MET   1          2HT       MET   1  -5.797   7.306   1.415
    3   3H    MET   1          3HT       MET   1  -6.047   8.328   0.059
    4    HA   MET   1           HA       MET   1  -3.819   7.669  -0.724
    5   1HB   MET   1          2HB       MET   1  -4.011   6.247   1.817
    6   2HB   MET   1          1HB       MET   1  -3.581   5.181   0.485
    7   1HG   MET   1          2HG       MET   1  -1.509   5.839   1.124
    8   2HG   MET   1          1HG       MET   1  -1.866   7.106  -0.049
    9   1HE   MET   1          1HE       MET   1  -0.729   6.544   3.722
   10   2HE   MET   1          2HE       MET   1   0.072   8.100   3.508
   11   3HE   MET   1          3HE       MET   1   0.222   6.853   2.270
   12    H    TYR   2           H        TYR   2  -4.274   6.801  -2.635
   13    HA   TYR   2           HA       TYR   2  -6.629   5.087  -2.886
   14   1HB   TYR   2          2HB       TYR   2  -5.150   6.911  -4.697
   15   2HB   TYR   2          1HB       TYR   2  -5.877   5.490  -5.439
   16    HD1  TYR   2           1HD      TYR   2  -7.784   6.148  -6.567
   17    HD2  TYR   2           2HD      TYR   2  -7.039   7.744  -2.695
   18    HE1  TYR   2           1HE      TYR   2  -9.962   7.289  -6.624
   19    HE2  TYR   2           2HE      TYR   2  -9.214   8.889  -2.741
   20    HH   TYR   2           HH       TYR   2 -11.390   8.663  -3.879
   21    H    LYS   3           H        LYS   3  -6.582   3.075  -3.882
   22    HA   LYS   3           HA       LYS   3  -4.385   1.441  -3.355
   23   1HB   LYS   3          2HB       LYS   3  -6.915   0.905  -3.889
   24   2HB   LYS   3          1HB       LYS   3  -6.300   0.700  -5.523
   25   1HG   LYS   3          2HG       LYS   3  -4.512  -0.771  -4.122
   26   2HG   LYS   3          1HG       LYS   3  -5.968  -0.992  -3.150
   27   1HD   LYS   3          2HD       LYS   3  -7.117  -2.026  -4.871
   28   2HD   LYS   3          1HD       LYS   3  -6.105  -1.298  -6.119
   29   1HE   LYS   3          2HE       LYS   3  -4.206  -2.704  -5.180
   30   2HE   LYS   3          1HE       LYS   3  -5.441  -3.577  -4.274
   31   1HZ   LYS   3          1HZ       LYS   3  -5.304  -3.316  -7.230
   32   2HZ   LYS   3          2HZ       LYS   3  -6.529  -4.114  -6.380
   33   3HZ   LYS   3          3HZ       LYS   3  -4.947  -4.705  -6.334
   34    H    LYS   4           H        LYS   4  -5.184   3.334  -6.169
   35    HA   LYS   4           HA       LYS   4  -3.530   2.074  -8.054
   36   1HB   LYS   4          2HB       LYS   4  -5.326   3.920  -8.366
   37   2HB   LYS   4          1HB       LYS   4  -4.008   5.038  -8.042
   38   1HG   LYS   4          2HG       LYS   4  -3.150   4.788 -10.083
   39   2HG   LYS   4          1HG       LYS   4  -3.321   3.032 -10.034
   40   1HD   LYS   4          2HD       LYS   4  -4.678   3.908 -11.823
   41   2HD   LYS   4          1HD       LYS   4  -5.733   3.302 -10.544
   42   1HE   LYS   4          2HE       LYS   4  -5.036   6.110 -10.207
   43   2HE   LYS   4          1HE       LYS   4  -5.871   5.788 -11.726
   44   1HZ   LYS   4          1HZ       LYS   4  -6.995   4.538  -9.354
   45   2HZ   LYS   4          2HZ       LYS   4  -7.774   5.259 -10.670
   46   3HZ   LYS   4          3HZ       LYS   4  -7.132   6.223  -9.437
   47    H    ASP   5           H        ASP   5  -2.888   4.802  -5.869
   48    HA   ASP   5           HA       ASP   5  -0.265   5.317  -6.709
   49   1HB   ASP   5          2HB       ASP   5  -1.814   6.683  -5.139
   50   2HB   ASP   5          1HB       ASP   5  -1.142   5.682  -3.856
   51    H    VAL   6           H        VAL   6  -1.426   3.342  -3.979
   52    HA   VAL   6           HA       VAL   6   0.995   2.489  -2.985
   53    HB   VAL   6           HB       VAL   6  -1.386   0.663  -3.134
   54   1HG1  VAL   6          1HG1      VAL   6   0.743   1.185  -1.082
   55   2HG1  VAL   6          2HG1      VAL   6   0.571  -0.247  -2.095
   56   3HG1  VAL   6          3HG1      VAL   6  -0.626   0.100  -0.848
   57   1HG2  VAL   6          1HG2      VAL   6  -2.570   2.477  -2.416
   58   2HG2  VAL   6          2HG2      VAL   6  -1.149   3.277  -1.744
   59   3HG2  VAL   6          3HG2      VAL   6  -1.909   1.948  -0.868
   60    H    ILE   7           H        ILE   7  -1.038   0.878  -5.428
   61    HA   ILE   7           HA       ILE   7   0.650  -1.294  -5.915
   62    HB   ILE   7           HB       ILE   7  -1.360   0.072  -7.703
   63   1HG1  ILE   7          2HG1      ILE   7  -1.437  -2.495  -6.104
   64   2HG1  ILE   7          1HG1      ILE   7  -2.283  -1.002  -5.710
   65   1HG2  ILE   7          1HG2      ILE   7  -1.267  -1.960  -9.108
   66   2HG2  ILE   7          2HG2      ILE   7   0.131  -2.502  -8.182
   67   3HG2  ILE   7          3HG2      ILE   7   0.229  -1.026  -9.143
   68   1HD1  ILE   7          1HD1      ILE   7  -2.883  -2.000  -8.380
   69   2HD1  ILE   7          2HD1      ILE   7  -3.964  -1.471  -7.091
   70   3HD1  ILE   7          3HD1      ILE   7  -3.326  -3.116  -7.088
   71    H    ASP   8           H        ASP   8   0.829   2.004  -6.999
   72    HA   ASP   8           HA       ASP   8   2.645   1.504  -9.160
   73   1HB   ASP   8          2HB       ASP   8   1.080   3.661  -8.340
   74   2HB   ASP   8          1HB       ASP   8   2.734   4.210  -8.088
   75    H    HIS   9           H        HIS   9   2.877   2.129  -5.754
   76    HA   HIS   9           HA       HIS   9   5.711   2.686  -5.862
   77   1HB   HIS   9          2HB       HIS   9   4.466   3.892  -4.203
   78   2HB   HIS   9          1HB       HIS   9   3.764   2.408  -3.570
   79    HD1  HIS   9           1HD      HIS   9   6.642   4.654  -3.205
   80    HD2  HIS   9           2HD      HIS   9   5.648   0.770  -2.110
   81    HE1  HIS   9           1HE      HIS   9   8.312   4.005  -1.439
   82    HE2  HIS   9           2HE      HIS   9   7.741   1.623  -0.852
   83    H    PHE  10           H        PHE  10   3.574   0.021  -5.168
   84    HA   PHE  10           HA       PHE  10   5.766  -1.658  -4.226
   85   1HB   PHE  10          2HB       PHE  10   2.783  -1.955  -4.336
   86   2HB   PHE  10          1HB       PHE  10   3.810  -3.369  -4.112
   87    HD1  PHE  10           1HD      PHE  10   2.480  -0.355  -2.600
   88    HD2  PHE  10           2HD      PHE  10   5.195  -3.588  -2.113
   89    HE1  PHE  10           1HE      PHE  10   2.621   0.136  -0.195
   90    HE2  PHE  10           2HE      PHE  10   5.345  -3.109   0.298
   91    HZ   PHE  10           HZ       PHE  10   4.056  -1.243   1.261
   92    H    GLY  11           H        GLY  11   3.762  -1.164  -7.041
   93   1HA   GLY  11          2HA       GLY  11   4.333  -1.835  -9.219
   94   2HA   GLY  11          1HA       GLY  11   5.470  -2.993  -8.542
   95    H    THR  12           H        THR  12   3.951  -4.467  -6.856
   96    HA   THR  12           HA       THR  12   1.725  -5.484  -8.481
   97    HB   THR  12           HB       THR  12   2.695  -7.788  -7.434
   98    HG1  THR  12           1HG      THR  12   4.569  -6.513  -6.702
   99   1HG2  THR  12          1HG2      THR  12   2.460  -6.719  -9.978
  100   2HG2  THR  12          2HG2      THR  12   2.838  -8.389  -9.556
  101   3HG2  THR  12          3HG2      THR  12   4.141  -7.242  -9.864
  102    H    GLN  13           H        GLN  13  -0.023  -6.216  -7.349
  103    HA   GLN  13           HA       GLN  13  -0.592  -5.242  -4.848
  104   1HB   GLN  13          2HB       GLN  13  -2.385  -7.021  -4.762
  105   2HB   GLN  13          1HB       GLN  13  -2.385  -6.011  -6.199
  106   1HG   GLN  13          2HG       GLN  13  -0.936  -7.935  -7.200
  107   2HG   GLN  13          1HG       GLN  13  -1.658  -8.882  -5.902
  108   1HE2  GLN  13          1HE2      GLN  13  -4.167  -8.117  -5.738
  109   2HE2  GLN  13          2HE2      GLN  13  -5.013  -8.344  -7.226
  110    H    ARG  14           H        ARG  14   0.456  -8.564  -5.606
  111    HA   ARG  14           HA       ARG  14   0.465  -9.684  -3.117
  112   1HB   ARG  14          2HB       ARG  14   2.532 -10.962  -3.996
  113   2HB   ARG  14          1HB       ARG  14   1.010 -11.130  -4.853
  114   1HG   ARG  14          2HG       ARG  14   1.807 -10.166  -6.711
  115   2HG   ARG  14          1HG       ARG  14   2.711  -8.945  -5.812
  116   1HD   ARG  14          2HD       ARG  14   4.138 -11.144  -5.194
  117   2HD   ARG  14          1HD       ARG  14   3.553 -11.599  -6.793
  118    HE   ARG  14           HE       ARG  14   4.542  -9.021  -7.009
  119   1HH1  ARG  14          1HH1      ARG  14   5.771 -12.188  -6.211
  120   2HH1  ARG  14          2HH1      ARG  14   7.363 -11.858  -6.806
  121   1HH2  ARG  14          1HH2      ARG  14   6.634  -8.585  -7.796
  122   2HH2  ARG  14          2HH2      ARG  14   7.854  -9.812  -7.706
  123    H    ALA  15           H        ALA  15   2.841  -7.466  -4.474
  124    HA   ALA  15           HA       ALA  15   4.837  -7.736  -2.528
  125   1HB   ALA  15          1HB       ALA  15   4.358  -6.094  -4.769
  126   2HB   ALA  15          2HB       ALA  15   5.855  -6.278  -3.856
  127   3HB   ALA  15          3HB       ALA  15   4.701  -5.021  -3.412
  128    H    VAL  16           H        VAL  16   2.156  -5.402  -2.716
  129    HA   VAL  16           HA       VAL  16   2.648  -4.004  -0.380
  130    HB   VAL  16           HB       VAL  16  -0.204  -4.558  -0.985
  131   1HG1  VAL  16          1HG1      VAL  16   1.014  -1.864  -0.970
  132   2HG1  VAL  16          2HG1      VAL  16   1.012  -2.768   0.542
  133   3HG1  VAL  16          3HG1      VAL  16  -0.508  -2.423  -0.281
  134   1HG2  VAL  16          1HG2      VAL  16   1.718  -3.460  -2.992
  135   2HG2  VAL  16          2HG2      VAL  16   0.080  -2.811  -2.910
  136   3HG2  VAL  16          3HG2      VAL  16   0.333  -4.526  -3.230
  137    H    ALA  17           H        ALA  17   1.177  -7.140  -0.842
  138    HA   ALA  17           HA       ALA  17  -0.009  -7.417   1.701
  139   1HB   ALA  17          1HB       ALA  17   0.207  -8.963  -0.622
  140   2HB   ALA  17          2HB       ALA  17  -0.745  -9.317   0.819
  141   3HB   ALA  17          3HB       ALA  17   0.896  -9.943   0.672
  142    H    LYS  18           H        LYS  18   3.270  -7.727   0.603
  143    HA   LYS  18           HA       LYS  18   4.194  -9.260   2.842
  144   1HB   LYS  18          2HB       LYS  18   5.440  -7.891   0.513
  145   2HB   LYS  18          1HB       LYS  18   6.462  -8.195   1.910
  146   1HG   LYS  18          2HG       LYS  18   5.476 -10.618   1.711
  147   2HG   LYS  18          1HG       LYS  18   5.178 -10.120   0.044
  148   1HD   LYS  18          2HD       LYS  18   7.429  -9.890  -0.430
  149   2HD   LYS  18          1HD       LYS  18   7.866  -9.658   1.264
  150   1HE   LYS  18          2HE       LYS  18   6.814 -12.263   0.185
  151   2HE   LYS  18          1HE       LYS  18   8.531 -11.869   0.231
  152   1HZ   LYS  18          1HZ       LYS  18   7.669 -13.177   2.165
  153   2HZ   LYS  18          2HZ       LYS  18   6.799 -11.805   2.634
  154   3HZ   LYS  18          3HZ       LYS  18   8.488 -11.755   2.575
  155    H    ALA  19           H        ALA  19   4.548  -5.848   1.880
  156    HA   ALA  19           HA       ALA  19   5.918  -4.983   4.156
  157   1HB   ALA  19          1HB       ALA  19   6.014  -3.352   2.599
  158   2HB   ALA  19          2HB       ALA  19   4.596  -2.749   3.458
  159   3HB   ALA  19          3HB       ALA  19   4.397  -3.694   1.984
  160    H    LEU  20           H        LEU  20   2.458  -5.277   3.521
  161    HA   LEU  20           HA       LEU  20   1.789  -4.176   6.125
  162   1HB   LEU  20          2HB       LEU  20   0.463  -4.432   3.643
  163   2HB   LEU  20          1HB       LEU  20  -0.446  -5.393   4.794
  164    HG   LEU  20           HG       LEU  20   0.321  -2.590   5.501
  165   1HD1  LEU  20          1HD1      LEU  20  -1.840  -3.446   3.608
  166   2HD1  LEU  20          2HD1      LEU  20  -0.656  -2.152   3.428
  167   3HD1  LEU  20          3HD1      LEU  20  -1.985  -1.978   4.575
  168   1HD2  LEU  20          1HD2      LEU  20  -1.356  -2.740   7.060
  169   2HD2  LEU  20          2HD2      LEU  20  -0.807  -4.416   7.004
  170   3HD2  LEU  20          3HD2      LEU  20  -2.262  -3.935   6.132
  171    H    GLY  21           H        GLY  21   2.038  -7.279   4.540
  172   1HA   GLY  21          2HA       GLY  21   2.310  -9.341   5.609
  173   2HA   GLY  21          1HA       GLY  21   1.806  -8.599   7.120
  174    H    ILE  22           H        ILE  22  -0.061  -8.246   4.195
  175    HA   ILE  22           HA       ILE  22  -2.146  -9.948   5.396
  176    HB   ILE  22           HB       ILE  22  -3.752  -8.642   4.001
  177   1HG1  ILE  22          2HG1      ILE  22  -1.348  -6.860   3.537
  178   2HG1  ILE  22          1HG1      ILE  22  -2.145  -7.845   2.313
  179   1HG2  ILE  22          1HG2      ILE  22  -3.378  -6.463   5.388
  180   2HG2  ILE  22          2HG2      ILE  22  -2.112  -7.412   6.168
  181   3HG2  ILE  22          3HG2      ILE  22  -3.784  -7.973   6.201
  182   1HD1  ILE  22          1HD1      ILE  22  -3.111  -5.837   1.887
  183   2HD1  ILE  22          2HD1      ILE  22  -3.007  -5.303   3.564
  184   3HD1  ILE  22          3HD1      ILE  22  -4.252  -6.455   3.081
  185    H    SER  23           H        SER  23  -3.797 -10.552   3.479
  186    HA   SER  23           HA       SER  23  -2.233 -12.234   1.706
  187   1HB   SER  23          2HB       SER  23  -4.094 -13.288   2.824
  188   2HB   SER  23          1HB       SER  23  -5.207 -12.059   2.228
  189    HG   SER  23           HG       SER  23  -5.176 -14.096   1.040
  190    H    ASP  24           H        ASP  24  -2.793 -12.417  -0.593
  191    HA   ASP  24           HA       ASP  24  -2.624  -9.946  -1.913
  192   1HB   ASP  24          2HB       ASP  24  -2.114 -12.484  -2.646
  193   2HB   ASP  24          1HB       ASP  24  -3.673 -12.265  -3.439
  194    H    ALA  25           H        ALA  25  -5.354 -11.954  -1.062
  195    HA   ALA  25           HA       ALA  25  -7.269 -10.756  -2.761
  196   1HB   ALA  25          1HB       ALA  25  -7.323 -12.940  -1.258
  197   2HB   ALA  25          2HB       ALA  25  -8.797 -12.101  -1.741
  198   3HB   ALA  25          3HB       ALA  25  -8.121 -11.840  -0.133
  199    H    ALA  26           H        ALA  26  -6.312 -10.108   0.593
  200    HA   ALA  26           HA       ALA  26  -8.222  -8.172   1.203
  201   1HB   ALA  26          1HB       ALA  26  -7.083  -8.802   3.071
  202   2HB   ALA  26          2HB       ALA  26  -6.220  -7.307   2.710
  203   3HB   ALA  26          3HB       ALA  26  -5.528  -8.861   2.241
  204    H    VAL  27           H        VAL  27  -5.284  -7.953  -0.669
  205    HA   VAL  27           HA       VAL  27  -5.159  -5.092  -0.678
  206    HB   VAL  27           HB       VAL  27  -3.871  -7.000  -2.632
  207   1HG1  VAL  27          1HG1      VAL  27  -3.605  -4.906  -3.563
  208   2HG1  VAL  27          2HG1      VAL  27  -2.153  -5.040  -2.570
  209   3HG1  VAL  27          3HG1      VAL  27  -3.532  -4.102  -1.995
  210   1HG2  VAL  27          1HG2      VAL  27  -2.722  -5.910  -0.066
  211   2HG2  VAL  27          2HG2      VAL  27  -1.934  -7.011  -1.198
  212   3HG2  VAL  27          3HG2      VAL  27  -3.338  -7.549  -0.274
  213    H    SER  28           H        SER  28  -5.971  -7.478  -3.208
  214    HA   SER  28           HA       SER  28  -6.825  -5.647  -5.129
  215   1HB   SER  28          2HB       SER  28  -8.342  -7.785  -5.756
  216   2HB   SER  28          1HB       SER  28  -6.613  -7.701  -6.099
  217    HG   SER  28           HG       SER  28  -6.223  -9.119  -4.564
  218    H    GLN  29           H        GLN  29  -8.430  -6.855  -2.299
  219    HA   GLN  29           HA       GLN  29 -11.070  -6.125  -3.107
  220   1HB   GLN  29          2HB       GLN  29  -9.838  -7.436  -0.863
  221   2HB   GLN  29          1HB       GLN  29 -10.960  -6.216  -0.292
  222   1HG   GLN  29          2HG       GLN  29 -12.360  -7.484  -2.300
  223   2HG   GLN  29          1HG       GLN  29 -11.460  -8.793  -1.528
  224   1HE2  GLN  29          1HE2      GLN  29 -11.670  -8.980   0.816
  225   2HE2  GLN  29          2HE2      GLN  29 -13.170  -8.553   1.558
  226    H    TRP  30           H        TRP  30  -8.392  -4.383  -1.913
  227    HA   TRP  30           HA       TRP  30  -9.526  -2.387  -0.370
  228   1HB   TRP  30          2HB       TRP  30  -7.192  -2.370  -2.272
  229   2HB   TRP  30          1HB       TRP  30  -7.655  -0.926  -1.379
  230    HD1  TRP  30           HD       TRP  30  -8.432  -3.163   1.163
  231    HE1  TRP  30           1HE      TRP  30  -6.447  -3.733   2.702
  232    HE3  TRP  30           3HE      TRP  30  -4.597  -1.634  -1.853
  233    HZ2  TRP  30           2HZ      TRP  30  -3.632  -3.559   2.642
  234    HZ3  TRP  30           3HZ      TRP  30  -2.289  -1.868  -1.037
  235    HH2  TRP  30           HH       TRP  30  -1.818  -2.811   1.165
  236    H    LYS  31           H        LYS  31 -10.850  -0.733  -0.736
  237    HA   LYS  31           HA       LYS  31 -12.000  -0.387  -3.356
  238   1HB   LYS  31          2HB       LYS  31 -13.500   1.195  -2.258
  239   2HB   LYS  31          1HB       LYS  31 -13.390  -0.296  -1.336
  240   1HG   LYS  31          2HG       LYS  31 -12.610   0.750   0.462
  241   2HG   LYS  31          1HG       LYS  31 -11.440   1.671  -0.482
  242   1HD   LYS  31          2HD       LYS  31 -13.030   3.346  -0.997
  243   2HD   LYS  31          1HD       LYS  31 -14.370   2.354  -0.404
  244   1HE   LYS  31          2HE       LYS  31 -13.590   2.562   1.859
  245   2HE   LYS  31          1HE       LYS  31 -12.130   3.386   1.324
  246   1HZ   LYS  31          1HZ       LYS  31 -13.420   5.142   1.953
  247   2HZ   LYS  31          2HZ       LYS  31 -14.870   4.403   1.497
  248   3HZ   LYS  31          3HZ       LYS  31 -13.850   5.045   0.318
  249    H    GLU  32           H        GLU  32 -12.540   2.300  -3.504
  250    HA   GLU  32           HA       GLU  32 -10.400   3.372  -4.838
  251   1HB   GLU  32          2HB       GLU  32 -12.940   4.340  -3.833
  252   2HB   GLU  32          1HB       GLU  32 -11.710   5.591  -3.715
  253   1HG   GLU  32          2HG       GLU  32 -11.280   5.518  -6.042
  254   2HG   GLU  32          1HG       GLU  32 -12.220   4.042  -6.236
  255    H    VAL  33           H        VAL  33 -11.010   3.379  -1.404
  256    HA   VAL  33           HA       VAL  33  -8.418   4.697  -0.993
  257    HB   VAL  33           HB       VAL  33 -10.810   5.040   0.812
  258   1HG1  VAL  33          1HG1      VAL  33  -8.827   5.269   2.076
  259   2HG1  VAL  33          2HG1      VAL  33  -9.376   6.908   1.723
  260   3HG1  VAL  33          3HG1      VAL  33  -8.042   6.210   0.808
  261   1HG2  VAL  33          1HG2      VAL  33  -9.892   6.562  -1.548
  262   2HG2  VAL  33          2HG2      VAL  33 -10.370   7.507  -0.142
  263   3HG2  VAL  33          3HG2      VAL  33 -11.510   6.377  -0.878
  264    H    ILE  34           H        ILE  34  -7.044   3.320  -0.102
  265    HA   ILE  34           HA       ILE  34  -7.617   0.807   0.885
  266    HB   ILE  34           HB       ILE  34  -5.386   1.016   2.116
  267   1HG1  ILE  34          2HG1      ILE  34  -5.198   3.591   0.544
  268   2HG1  ILE  34          1HG1      ILE  34  -5.572   3.545   2.265
  269   1HG2  ILE  34          1HG2      ILE  34  -5.894   0.230  -0.308
  270   2HG2  ILE  34          2HG2      ILE  34  -4.226   0.538   0.177
  271   3HG2  ILE  34          3HG2      ILE  34  -5.106   1.739  -0.770
  272   1HD1  ILE  34          1HD1      ILE  34  -3.259   3.988   2.053
  273   2HD1  ILE  34          2HD1      ILE  34  -3.042   2.666   0.907
  274   3HD1  ILE  34          3HD1      ILE  34  -3.414   2.318   2.596
  275    HA   PRO  35           HA       PRO  35  -9.221   0.958   4.971
  276   1HB   PRO  35          2HB       PRO  35  -6.807  -0.512   5.915
  277   2HB   PRO  35          1HB       PRO  35  -8.517  -0.901   6.130
  278   1HG   PRO  35          2HG       PRO  35  -7.041  -2.241   4.371
  279   2HG   PRO  35          1HG       PRO  35  -8.718  -1.800   3.999
  280   1HD   PRO  35          2HD       PRO  35  -6.175  -0.580   3.019
  281   2HD   PRO  35          1HD       PRO  35  -7.711  -0.832   2.163
  282    H    GLU  36           H        GLU  36  -8.844   1.750   7.153
  283    HA   GLU  36           HA       GLU  36  -7.244   4.108   7.167
  284   1HB   GLU  36          2HB       GLU  36  -9.417   3.946   8.326
  285   2HB   GLU  36          1HB       GLU  36  -8.730   2.767   9.434
  286   1HG   GLU  36          2HG       GLU  36  -7.376   5.390   9.195
  287   2HG   GLU  36          1HG       GLU  36  -8.919   5.332  10.039
  288    H    LYS  37           H        LYS  37  -6.941   0.898   8.572
  289    HA   LYS  37           HA       LYS  37  -4.551   1.637  10.041
  290   1HB   LYS  37          2HB       LYS  37  -6.488  -0.491  10.152
  291   2HB   LYS  37          1HB       LYS  37  -4.867  -1.166  10.074
  292   1HG   LYS  37          2HG       LYS  37  -5.298   1.053  11.978
  293   2HG   LYS  37          1HG       LYS  37  -6.052  -0.494  12.360
  294   1HD   LYS  37          2HD       LYS  37  -3.508  -1.211  11.578
  295   2HD   LYS  37          1HD       LYS  37  -3.247   0.298  12.457
  296   1HE   LYS  37          2HE       LYS  37  -3.096  -1.378  14.089
  297   2HE   LYS  37          1HE       LYS  37  -4.716  -0.708  14.282
  298   1HZ   LYS  37          1HZ       LYS  37  -5.203  -2.670  12.559
  299   2HZ   LYS  37          2HZ       LYS  37  -5.281  -2.873  14.236
  300   3HZ   LYS  37          3HZ       LYS  37  -3.895  -3.348  13.390
  301    H    ASP  38           H        ASP  38  -5.347   0.360   6.957
  302    HA   ASP  38           HA       ASP  38  -2.846  -1.010   6.556
  303   1HB   ASP  38          2HB       ASP  38  -5.183  -0.330   4.789
  304   2HB   ASP  38          1HB       ASP  38  -3.687  -0.950   4.098
  305    H    ALA  39           H        ALA  39  -4.277   2.067   5.535
  306    HA   ALA  39           HA       ALA  39  -2.108   2.911   3.935
  307   1HB   ALA  39          1HB       ALA  39  -3.151   5.028   3.875
  308   2HB   ALA  39          2HB       ALA  39  -3.984   4.748   5.404
  309   3HB   ALA  39          3HB       ALA  39  -4.461   3.852   3.961
  310    H    TYR  40           H        TYR  40  -2.661   2.929   7.363
  311    HA   TYR  40           HA       TYR  40  -0.720   4.910   8.017
  312   1HB   TYR  40          2HB       TYR  40  -2.505   4.390   9.577
  313   2HB   TYR  40          1HB       TYR  40  -1.968   2.713   9.681
  314    HD1  TYR  40           1HD      TYR  40  -0.850   6.199  10.364
  315    HD2  TYR  40           2HD      TYR  40  -0.457   2.076  11.334
  316    HE1  TYR  40           1HE      TYR  40   0.600   6.791  12.258
  317    HE2  TYR  40           2HE      TYR  40   0.995   2.656  13.236
  318    HH   TYR  40           HH       TYR  40   2.283   5.804  13.670
  319    H    ARG  41           H        ARG  41  -0.664   1.405   7.681
  320    HA   ARG  41           HA       ARG  41   2.021   1.138   8.665
  321   1HB   ARG  41          2HB       ARG  41   0.099  -0.735   7.304
  322   2HB   ARG  41          1HB       ARG  41   1.759  -1.204   7.634
  323   1HG   ARG  41          2HG       ARG  41   1.192  -0.456  10.065
  324   2HG   ARG  41          1HG       ARG  41  -0.475  -0.687   9.534
  325   1HD   ARG  41          2HD       ARG  41  -0.042  -2.789  10.297
  326   2HD   ARG  41          1HD       ARG  41   0.517  -2.970   8.634
  327    HE   ARG  41           HE       ARG  41   2.567  -2.121  10.464
  328   1HH1  ARG  41          1HH1      ARG  41   0.909  -4.870   9.095
  329   2HH1  ARG  41          2HH1      ARG  41   2.216  -5.964   9.393
  330   1HH2  ARG  41          1HH2      ARG  41   4.287  -3.560  10.857
  331   2HH2  ARG  41          2HH2      ARG  41   4.134  -5.221  10.394
  332    H    LEU  42           H        LEU  42   0.509   1.625   5.568
  333    HA   LEU  42           HA       LEU  42   2.657   0.809   3.929
  334   1HB   LEU  42          2HB       LEU  42   0.339   2.672   3.488
  335   2HB   LEU  42          1HB       LEU  42   1.525   2.354   2.237
  336    HG   LEU  42           HG       LEU  42  -0.250   0.290   3.543
  337   1HD1  LEU  42          1HD1      LEU  42  -0.383   1.790   0.959
  338   2HD1  LEU  42          2HD1      LEU  42  -1.659   1.468   2.135
  339   3HD1  LEU  42          3HD1      LEU  42  -1.071   0.171   1.094
  340   1HD2  LEU  42          1HD2      LEU  42   2.078   0.114   1.721
  341   2HD2  LEU  42          2HD2      LEU  42   0.705  -0.939   1.382
  342   3HD2  LEU  42          3HD2      LEU  42   1.508  -1.016   2.949
  343    H    GLU  43           H        GLU  43   1.923   3.804   5.584
  344    HA   GLU  43           HA       GLU  43   3.770   5.446   4.205
  345   1HB   GLU  43          2HB       GLU  43   1.911   6.330   5.566
  346   2HB   GLU  43          1HB       GLU  43   2.701   5.734   7.018
  347   1HG   GLU  43          2HG       GLU  43   4.553   7.241   6.679
  348   2HG   GLU  43          1HG       GLU  43   3.869   7.780   5.147
  349    H    ILE  44           H        ILE  44   4.158   3.063   6.670
  350    HA   ILE  44           HA       ILE  44   6.757   4.065   7.499
  351    HB   ILE  44           HB       ILE  44   5.447   1.463   8.274
  352   1HG1  ILE  44          2HG1      ILE  44   5.033   4.262   9.209
  353   2HG1  ILE  44          1HG1      ILE  44   3.886   2.930   9.109
  354   1HG2  ILE  44          1HG2      ILE  44   6.961   1.530  10.169
  355   2HG2  ILE  44          2HG2      ILE  44   7.615   3.073   9.618
  356   3HG2  ILE  44          3HG2      ILE  44   7.872   1.614   8.661
  357   1HD1  ILE  44          1HD1      ILE  44   4.887   1.933  11.105
  358   2HD1  ILE  44          2HD1      ILE  44   4.292   3.566  11.409
  359   3HD1  ILE  44          3HD1      ILE  44   6.020   3.280  11.200
  360    H    VAL  45           H        VAL  45   5.477   1.114   5.969
  361    HA   VAL  45           HA       VAL  45   7.938  -0.107   5.437
  362    HB   VAL  45           HB       VAL  45   6.687  -1.307   3.595
  363   1HG1  VAL  45          1HG1      VAL  45   4.997  -2.286   5.356
  364   2HG1  VAL  45          2HG1      VAL  45   5.913  -1.271   6.469
  365   3HG1  VAL  45          3HG1      VAL  45   6.735  -2.522   5.538
  366   1HG2  VAL  45          1HG2      VAL  45   4.881  -0.277   2.795
  367   2HG2  VAL  45          2HG2      VAL  45   4.784   0.806   4.183
  368   3HG2  VAL  45          3HG2      VAL  45   4.058  -0.798   4.266
  369    H    THR  46           H        THR  46   6.043   2.180   3.540
  370    HA   THR  46           HA       THR  46   7.795   2.076   1.278
  371    HB   THR  46           HB       THR  46   6.362   3.760   0.342
  372    HG1  THR  46           1HG      THR  46   5.294   4.013   2.950
  373   1HG2  THR  46          1HG2      THR  46   4.055   2.801   0.858
  374   2HG2  THR  46          2HG2      THR  46   4.915   1.645   1.874
  375   3HG2  THR  46          3HG2      THR  46   5.259   1.728   0.146
  376    H    ALA  47           H        ALA  47   8.601   3.140   4.143
  377    HA   ALA  47           HA       ALA  47  10.093   4.644   4.961
  378   1HB   ALA  47          1HB       ALA  47  10.991   3.988   2.428
  379   2HB   ALA  47          2HB       ALA  47  11.906   4.830   3.678
  380   3HB   ALA  47          3HB       ALA  47  11.036   5.750   2.451
  381    H    GLY  48           H        GLY  48   7.352   5.469   4.364
  382   1HA   GLY  48          2HA       GLY  48   6.155   7.417   4.655
  383   2HA   GLY  48          1HA       GLY  48   7.681   8.273   4.812
  384    H    ALA  49           H        ALA  49   7.164   6.352   1.982
  385    HA   ALA  49           HA       ALA  49   7.613   8.471   0.211
  386   1HB   ALA  49          1HB       ALA  49   6.745   5.660  -0.029
  387   2HB   ALA  49          2HB       ALA  49   8.032   6.528  -0.864
  388   3HB   ALA  49          3HB       ALA  49   6.358   6.717  -1.387
  389    H    LEU  50           H        LEU  50   4.667   7.192   1.592
  390    HA   LEU  50           HA       LEU  50   3.132   9.241   0.130
  391   1HB   LEU  50          2HB       LEU  50   1.983   6.733   1.337
  392   2HB   LEU  50          1HB       LEU  50   1.208   7.842   0.222
  393    HG   LEU  50           HG       LEU  50   3.668   6.458  -0.716
  394   1HD1  LEU  50          1HD1      LEU  50   1.120   5.106  -0.011
  395   2HD1  LEU  50          2HD1      LEU  50   2.774   4.497   0.022
  396   3HD1  LEU  50          3HD1      LEU  50   1.920   4.643  -1.513
  397   1HD2  LEU  50          1HD2      LEU  50   1.038   7.164  -2.011
  398   2HD2  LEU  50          2HD2      LEU  50   2.445   6.485  -2.829
  399   3HD2  LEU  50          3HD2      LEU  50   2.530   8.098  -2.119
  400    H    LYS  51           H        LYS  51   2.258  10.808   1.317
  401    HA   LYS  51           HA       LYS  51   2.543  10.764   4.181
  402   1HB   LYS  51          2HB       LYS  51   2.915  12.798   2.756
  403   2HB   LYS  51          1HB       LYS  51   1.181  12.849   2.474
  404   1HG   LYS  51          2HG       LYS  51   0.729  13.650   4.532
  405   2HG   LYS  51          1HG       LYS  51   2.036  12.742   5.293
  406   1HD   LYS  51          2HD       LYS  51   3.500  14.432   5.066
  407   2HD   LYS  51          1HD       LYS  51   2.941  14.822   3.438
  408   1HE   LYS  51          2HE       LYS  51   1.295  16.250   4.201
  409   2HE   LYS  51          1HE       LYS  51   1.214  15.475   5.784
  410   1HZ   LYS  51          1HZ       LYS  51   2.281  17.477   6.190
  411   2HZ   LYS  51          2HZ       LYS  51   3.209  17.403   4.777
  412   3HZ   LYS  51          3HZ       LYS  51   3.569  16.384   6.079
  413    H    TYR  52           H        TYR  52   1.131   9.751   5.434
  414    HA   TYR  52           HA       TYR  52  -1.426   8.912   4.644
  415   1HB   TYR  52          2HB       TYR  52  -0.085   7.926   6.512
  416   2HB   TYR  52          1HB       TYR  52  -0.461   9.348   7.478
  417    HD1  TYR  52           1HD      TYR  52  -2.986   9.870   7.819
  418    HD2  TYR  52           2HD      TYR  52  -1.495   6.080   6.585
  419    HE1  TYR  52           1HE      TYR  52  -5.071   8.808   8.574
  420    HE2  TYR  52           2HE      TYR  52  -3.580   5.010   7.336
  421    HH   TYR  52           HH       TYR  52  -5.443   5.754   9.225
  422    H    GLN  53           H        GLN  53  -3.191  10.074   4.309
  423    HA   GLN  53           HA       GLN  53  -3.472  12.654   5.690
  424   1HB   GLN  53          2HB       GLN  53  -4.937  11.703   3.225
  425   2HB   GLN  53          1HB       GLN  53  -4.945  13.329   3.896
  426   1HG   GLN  53          2HG       GLN  53  -2.278  12.874   3.498
  427   2HG   GLN  53          1HG       GLN  53  -3.017  12.030   2.137
  428   1HE2  GLN  53          1HE2      GLN  53  -2.417  13.417   0.550
  429   2HE2  GLN  53          2HE2      GLN  53  -2.969  15.050   0.436
  430    H    GLU  54           H        GLU  54  -4.724  12.571   7.425
  431    HA   GLU  54           HA       GLU  54  -6.520  10.502   8.029
  432   1HB   GLU  54          2HB       GLU  54  -7.300  11.987   9.852
  433   2HB   GLU  54          1HB       GLU  54  -5.548  11.854   9.780
  434   1HG   GLU  54          2HG       GLU  54  -5.458  14.012   8.597
  435   2HG   GLU  54          1HG       GLU  54  -7.209  14.148   8.764
  436    H    ASN  55           H        ASN  55  -6.877  13.240   6.008
  437    HA   ASN  55           HA       ASN  55  -9.514  13.959   6.212
  438   1HB   ASN  55          2HB       ASN  55  -7.816  13.641   3.733
  439   2HB   ASN  55          1HB       ASN  55  -9.398  14.414   3.735
  440   1HD2  ASN  55          1HD2      ASN  55  -8.013  16.181   2.873
  441   2HD2  ASN  55          2HD2      ASN  55  -7.304  17.266   4.014
  442    H    ALA  56           H        ALA  56  -8.169  11.105   4.634
  443    HA   ALA  56           HA       ALA  56 -10.860  10.216   3.893
  444   1HB   ALA  56          1HB       ALA  56  -8.849  10.159   2.301
  445   2HB   ALA  56          2HB       ALA  56  -9.872   8.725   2.394
  446   3HB   ALA  56          3HB       ALA  56  -8.323   8.760   3.236
  447    H    TYR  57           H        TYR  57  -9.513  10.209   6.669
  448    HA   TYR  57           HA       TYR  57 -10.440   7.538   7.380
  449   1HB   TYR  57          2HB       TYR  57  -7.770   8.532   8.377
  450   2HB   TYR  57          1HB       TYR  57  -8.478   6.935   8.596
  451    HD1  TYR  57           1HD      TYR  57  -8.963   5.618   6.372
  452    HD2  TYR  57           2HD      TYR  57  -6.207   8.842   6.699
  453    HE1  TYR  57           1HE      TYR  57  -7.803   4.824   4.353
  454    HE2  TYR  57           2HE      TYR  57  -5.041   8.058   4.682
  455    HH   TYR  57           HH       TYR  57  -6.344   5.633   2.629
  456    H    ARG  58           H        ARG  58 -11.400  10.286   7.759
  457    HA   ARG  58           HA       ARG  58 -11.280  10.444  10.699
  458   1HB   ARG  58          2HB       ARG  58 -11.840  12.822  10.472
  459   2HB   ARG  58          1HB       ARG  58 -10.360  12.430   9.621
  460   1HG   ARG  58          2HG       ARG  58 -11.270  13.584   7.940
  461   2HG   ARG  58          1HG       ARG  58 -12.190  12.107   7.648
  462   1HD   ARG  58          2HD       ARG  58 -14.050  13.294   7.947
  463   2HD   ARG  58          1HD       ARG  58 -13.600  13.468   9.641
  464    HE   ARG  58           HE       ARG  58 -12.220  15.456   8.441
  465   1HH1  ARG  58          1HH1      ARG  58 -15.580  14.509   8.355
  466   2HH1  ARG  58          2HH1      ARG  58 -16.150  16.120   8.092
  467   1HH2  ARG  58          1HH2      ARG  58 -12.970  17.574   8.097
  468   2HH2  ARG  58          2HH2      ARG  58 -14.680  17.862   7.946
  469    H    GLN  59           H        GLN  59 -13.240  11.093  11.794
  470    HA   GLN  59           HA       GLN  59 -15.710  10.572  10.280
  471   1HB   GLN  59          2HB       GLN  59 -16.550   9.314  12.296
  472   2HB   GLN  59          1HB       GLN  59 -15.300   8.500  11.378
  473   1HG   GLN  59          2HG       GLN  59 -14.100  10.103  13.425
  474   2HG   GLN  59          1HG       GLN  59 -15.350   9.067  14.126
  475   1HE2  GLN  59          1HE2      GLN  59 -12.620   8.948  11.859
  476   2HE2  GLN  59          2HE2      GLN  59 -12.070   7.381  12.334
  477    H    ALA  60           H        ALA  60 -17.630  10.972  11.999
  478    HA   ALA  60           HA       ALA  60 -17.570  13.761  12.503
  479   1HB   ALA  60          1HB       ALA  60 -19.800  13.351  13.578
  480   2HB   ALA  60          2HB       ALA  60 -19.550  11.628  13.291
  481   3HB   ALA  60          3HB       ALA  60 -19.650  12.742  11.929
  482    H    ALA  61           H        ALA  61 -18.030  11.073  14.810
  483    HA   ALA  61           HA       ALA  61 -16.360  12.498  16.743
  484   1HB   ALA  61          1HB       ALA  61 -18.260  11.701  18.445
  485   2HB   ALA  61          2HB       ALA  61 -19.260  11.971  17.020
  486   3HB   ALA  61          3HB       ALA  61 -18.280  13.284  17.668
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  -4.124   8.515   1.573
    2   2H    MET   1          2HT       MET   1  -5.179   7.193   1.863
    3   3H    MET   1          3HT       MET   1  -5.481   8.263   0.555
    4    HA   MET   1           HA       MET   1  -3.248   7.586  -0.303
    5   1HB   MET   1          2HB       MET   1  -3.514   5.999   2.122
    6   2HB   MET   1          1HB       MET   1  -3.209   4.990   0.714
    7   1HG   MET   1          2HG       MET   1  -1.115   5.781   0.422
    8   2HG   MET   1          1HG       MET   1  -1.518   7.390   1.018
    9   1HE   MET   1          1HE       MET   1   0.520   7.827   2.774
   10   2HE   MET   1          2HE       MET   1  -0.115   7.497   4.386
   11   3HE   MET   1          3HE       MET   1  -1.144   8.258   3.171
   12    H    TYR   2           H        TYR   2  -3.823   6.986  -2.279
   13    HA   TYR   2           HA       TYR   2  -6.267   5.440  -2.658
   14   1HB   TYR   2          2HB       TYR   2  -4.601   7.214  -4.393
   15   2HB   TYR   2          1HB       TYR   2  -5.621   6.000  -5.158
   16    HD1  TYR   2           1HD      TYR   2  -7.320   7.242  -6.168
   17    HD2  TYR   2           2HD      TYR   2  -6.301   8.034  -2.115
   18    HE1  TYR   2           1HE      TYR   2  -9.256   8.747  -5.983
   19    HE2  TYR   2           2HE      TYR   2  -8.234   9.540  -1.918
   20    HH   TYR   2           HH       TYR   2  -9.637  10.979  -3.710
   21    H    LYS   3           H        LYS   3  -6.364   3.489  -3.731
   22    HA   LYS   3           HA       LYS   3  -4.240   1.708  -3.406
   23   1HB   LYS   3          2HB       LYS   3  -6.744   1.220  -3.726
   24   2HB   LYS   3          1HB       LYS   3  -6.417   1.324  -5.451
   25   1HG   LYS   3          2HG       LYS   3  -4.470  -0.391  -4.639
   26   2HG   LYS   3          1HG       LYS   3  -5.785  -0.796  -3.532
   27   1HD   LYS   3          2HD       LYS   3  -7.289  -1.022  -5.503
   28   2HD   LYS   3          1HD       LYS   3  -5.889  -0.771  -6.548
   29   1HE   LYS   3          2HE       LYS   3  -4.857  -2.770  -5.784
   30   2HE   LYS   3          1HE       LYS   3  -6.025  -2.949  -4.474
   31   1HZ   LYS   3          1HZ       LYS   3  -7.722  -3.061  -6.397
   32   2HZ   LYS   3          2HZ       LYS   3  -6.794  -4.428  -6.040
   33   3HZ   LYS   3          3HZ       LYS   3  -6.380  -3.448  -7.354
   34    H    LYS   4           H        LYS   4  -5.342   3.449  -6.289
   35    HA   LYS   4           HA       LYS   4  -3.724   2.324  -8.213
   36   1HB   LYS   4          2HB       LYS   4  -5.489   4.022  -8.626
   37   2HB   LYS   4          1HB       LYS   4  -4.416   5.256  -7.980
   38   1HG   LYS   4          2HG       LYS   4  -3.361   3.589 -10.182
   39   2HG   LYS   4          1HG       LYS   4  -4.635   4.743 -10.582
   40   1HD   LYS   4          2HD       LYS   4  -3.053   6.314  -9.081
   41   2HD   LYS   4          1HD       LYS   4  -1.841   5.209  -9.735
   42   1HE   LYS   4          2HE       LYS   4  -1.946   6.149 -11.754
   43   2HE   LYS   4          1HE       LYS   4  -3.708   6.094 -11.768
   44   1HZ   LYS   4          1HZ       LYS   4  -2.374   8.118 -10.114
   45   2HZ   LYS   4          2HZ       LYS   4  -3.873   8.185 -10.896
   46   3HZ   LYS   4          3HZ       LYS   4  -2.446   8.359 -11.787
   47    H    ASP   5           H        ASP   5  -2.891   4.717  -5.776
   48    HA   ASP   5           HA       ASP   5  -0.296   5.274  -6.854
   49   1HB   ASP   5          2HB       ASP   5  -1.657   5.903  -4.243
   50   2HB   ASP   5          1HB       ASP   5   0.045   6.278  -4.502
   51    H    VAL   6           H        VAL   6  -1.421   3.465  -3.990
   52    HA   VAL   6           HA       VAL   6   1.009   2.524  -3.097
   53    HB   VAL   6           HB       VAL   6  -1.481   0.837  -3.023
   54   1HG1  VAL   6          1HG1      VAL   6  -0.625   0.059  -0.965
   55   2HG1  VAL   6          2HG1      VAL   6   0.591   1.334  -0.915
   56   3HG1  VAL   6          3HG1      VAL   6   0.717   0.044  -2.108
   57   1HG2  VAL   6          1HG2      VAL   6  -1.708   2.265  -0.759
   58   2HG2  VAL   6          2HG2      VAL   6  -2.530   2.696  -2.259
   59   3HG2  VAL   6          3HG2      VAL   6  -1.023   3.498  -1.818
   60    H    ILE   7           H        ILE   7  -1.238   0.980  -5.383
   61    HA   ILE   7           HA       ILE   7   0.254  -1.332  -5.870
   62    HB   ILE   7           HB       ILE   7  -1.634   0.138  -7.718
   63   1HG1  ILE   7          2HG1      ILE   7  -2.734  -0.544  -5.676
   64   2HG1  ILE   7          1HG1      ILE   7  -3.248  -1.611  -6.976
   65   1HG2  ILE   7          1HG2      ILE   7  -1.839  -1.996  -8.916
   66   2HG2  ILE   7          2HG2      ILE   7  -0.570  -2.677  -7.898
   67   3HG2  ILE   7          3HG2      ILE   7  -0.202  -1.345  -8.993
   68   1HD1  ILE   7          1HD1      ILE   7  -1.134  -2.979  -5.974
   69   2HD1  ILE   7          2HD1      ILE   7  -2.813  -3.230  -5.501
   70   3HD1  ILE   7          3HD1      ILE   7  -1.767  -2.198  -4.525
   71    H    ASP   8           H        ASP   8   0.504   1.894  -7.208
   72    HA   ASP   8           HA       ASP   8   2.296   1.171  -9.321
   73   1HB   ASP   8          2HB       ASP   8   0.787   3.438  -8.631
   74   2HB   ASP   8          1HB       ASP   8   2.467   3.957  -8.563
   75    H    HIS   9           H        HIS   9   2.584   1.997  -5.981
   76    HA   HIS   9           HA       HIS   9   5.385   2.649  -6.133
   77   1HB   HIS   9          2HB       HIS   9   4.136   3.787  -4.440
   78   2HB   HIS   9          1HB       HIS   9   3.474   2.277  -3.825
   79    HD1  HIS   9           1HD      HIS   9   6.126   4.663  -3.247
   80    HD2  HIS   9           2HD      HIS   9   5.570   0.600  -2.577
   81    HE1  HIS   9           1HE      HIS   9   7.852   4.022  -1.534
   82    HE2  HIS   9           2HE      HIS   9   7.560   1.539  -1.221
   83    H    PHE  10           H        PHE  10   3.386  -0.113  -5.419
   84    HA   PHE  10           HA       PHE  10   5.679  -1.697  -4.558
   85   1HB   PHE  10          2HB       PHE  10   2.711  -2.091  -4.521
   86   2HB   PHE  10          1HB       PHE  10   3.783  -3.481  -4.378
   87    HD1  PHE  10           1HD      PHE  10   2.507  -0.493  -2.760
   88    HD2  PHE  10           2HD      PHE  10   5.246  -3.725  -2.458
   89    HE1  PHE  10           1HE      PHE  10   2.772  -0.031  -0.358
   90    HE2  PHE  10           2HE      PHE  10   5.521  -3.277  -0.051
   91    HZ   PHE  10           HZ       PHE  10   4.281  -1.424   1.001
   92    H    GLY  11           H        GLY  11   3.515  -1.306  -7.271
   93   1HA   GLY  11          2HA       GLY  11   4.027  -1.956  -9.479
   94   2HA   GLY  11          1HA       GLY  11   5.221  -3.079  -8.846
   95    H    THR  12           H        THR  12   3.803  -4.566  -7.078
   96    HA   THR  12           HA       THR  12   1.635  -5.737  -8.692
   97    HB   THR  12           HB       THR  12   2.421  -7.945  -7.578
   98    HG1  THR  12           1HG      THR  12   4.802  -6.417  -7.404
   99   1HG2  THR  12          1HG2      THR  12   2.670  -7.822  -9.902
  100   2HG2  THR  12          2HG2      THR  12   4.267  -8.245  -9.284
  101   3HG2  THR  12          3HG2      THR  12   3.925  -6.589  -9.787
  102    H    GLN  13           H        GLN  13   0.496  -7.489  -7.135
  103    HA   GLN  13           HA       GLN  13  -0.548  -5.894  -4.945
  104   1HB   GLN  13          2HB       GLN  13  -1.429  -8.659  -5.770
  105   2HB   GLN  13          1HB       GLN  13  -2.335  -7.476  -4.837
  106   1HG   GLN  13          2HG       GLN  13  -1.479  -6.759  -7.592
  107   2HG   GLN  13          1HG       GLN  13  -2.820  -7.883  -7.384
  108   1HE2  GLN  13          1HE2      GLN  13  -4.449  -7.100  -5.677
  109   2HE2  GLN  13          2HE2      GLN  13  -4.927  -5.446  -5.811
  110    H    ARG  14           H        ARG  14   0.695  -9.217  -5.325
  111    HA   ARG  14           HA       ARG  14   0.764 -10.001  -2.698
  112   1HB   ARG  14          2HB       ARG  14   1.364 -11.382  -4.713
  113   2HB   ARG  14          1HB       ARG  14   2.945 -10.614  -4.694
  114   1HG   ARG  14          2HG       ARG  14   2.399 -11.612  -2.087
  115   2HG   ARG  14          1HG       ARG  14   2.072 -12.888  -3.261
  116   1HD   ARG  14          2HD       ARG  14   4.407 -11.898  -4.213
  117   2HD   ARG  14          1HD       ARG  14   4.615 -11.631  -2.483
  118    HE   ARG  14           HE       ARG  14   3.700 -14.273  -3.102
  119   1HH1  ARG  14          1HH1      ARG  14   6.525 -12.235  -2.872
  120   2HH1  ARG  14          2HH1      ARG  14   7.609 -13.556  -2.593
  121   1HH2  ARG  14          1HH2      ARG  14   5.126 -16.012  -2.737
  122   2HH2  ARG  14          2HH2      ARG  14   6.815 -15.700  -2.518
  123    H    ALA  15           H        ALA  15   2.888  -7.764  -4.324
  124    HA   ALA  15           HA       ALA  15   5.005  -7.749  -2.464
  125   1HB   ALA  15          1HB       ALA  15   5.892  -6.291  -3.893
  126   2HB   ALA  15          2HB       ALA  15   4.559  -5.157  -3.671
  127   3HB   ALA  15          3HB       ALA  15   4.424  -6.456  -4.856
  128    H    VAL  16           H        VAL  16   2.191  -5.586  -2.779
  129    HA   VAL  16           HA       VAL  16   2.678  -3.946  -0.607
  130    HB   VAL  16           HB       VAL  16  -0.149  -4.722  -1.122
  131   1HG1  VAL  16          1HG1      VAL  16  -0.563  -2.433  -0.790
  132   2HG1  VAL  16          2HG1      VAL  16   1.124  -2.010  -1.074
  133   3HG1  VAL  16          3HG1      VAL  16   0.668  -2.869   0.396
  134   1HG2  VAL  16          1HG2      VAL  16   0.415  -4.777  -3.368
  135   2HG2  VAL  16          2HG2      VAL  16   1.691  -3.576  -3.184
  136   3HG2  VAL  16          3HG2      VAL  16   0.000  -3.079  -3.138
  137    H    ALA  17           H        ALA  17   0.896  -7.011  -0.733
  138    HA   ALA  17           HA       ALA  17   0.154  -7.033   1.998
  139   1HB   ALA  17          1HB       ALA  17   0.301  -9.696   1.162
  140   2HB   ALA  17          2HB       ALA  17  -0.113  -8.772  -0.283
  141   3HB   ALA  17          3HB       ALA  17  -1.120  -8.650   1.160
  142    H    LYS  18           H        LYS  18   3.021  -8.055   0.285
  143    HA   LYS  18           HA       LYS  18   4.122  -9.666   2.341
  144   1HB   LYS  18          2HB       LYS  18   4.822  -8.917  -0.286
  145   2HB   LYS  18          1HB       LYS  18   6.163  -8.417   0.736
  146   1HG   LYS  18          2HG       LYS  18   6.424 -10.653   1.577
  147   2HG   LYS  18          1HG       LYS  18   4.981 -11.186   0.712
  148   1HD   LYS  18          2HD       LYS  18   6.738 -11.895  -0.650
  149   2HD   LYS  18          1HD       LYS  18   6.206 -10.391  -1.404
  150   1HE   LYS  18          2HE       LYS  18   8.159  -9.744   0.549
  151   2HE   LYS  18          1HE       LYS  18   8.787 -11.078  -0.418
  152   1HZ   LYS  18          1HZ       LYS  18   9.118  -8.622  -1.173
  153   2HZ   LYS  18          2HZ       LYS  18   7.553  -8.796  -1.789
  154   3HZ   LYS  18          3HZ       LYS  18   8.786  -9.827  -2.315
  155    H    ALA  19           H        ALA  19   4.124  -6.236   1.706
  156    HA   ALA  19           HA       ALA  19   6.147  -5.720   3.732
  157   1HB   ALA  19          1HB       ALA  19   6.504  -4.161   2.132
  158   2HB   ALA  19          2HB       ALA  19   5.304  -3.265   3.064
  159   3HB   ALA  19          3HB       ALA  19   4.818  -4.145   1.616
  160    H    LEU  20           H        LEU  20   2.675  -5.304   3.244
  161    HA   LEU  20           HA       LEU  20   2.303  -3.968   5.768
  162   1HB   LEU  20          2HB       LEU  20   0.811  -4.301   3.410
  163   2HB   LEU  20          1HB       LEU  20  -0.120  -5.084   4.673
  164    HG   LEU  20           HG       LEU  20   0.922  -2.286   5.012
  165   1HD1  LEU  20          1HD1      LEU  20  -1.260  -1.477   4.243
  166   2HD1  LEU  20          2HD1      LEU  20  -1.695  -3.119   3.769
  167   3HD1  LEU  20          3HD1      LEU  20  -0.368  -2.290   2.955
  168   1HD2  LEU  20          1HD2      LEU  20  -1.308  -3.880   6.261
  169   2HD2  LEU  20          2HD2      LEU  20  -1.040  -2.160   6.538
  170   3HD2  LEU  20          3HD2      LEU  20   0.180  -3.332   7.034
  171    H    GLY  21           H        GLY  21   2.213  -7.240   4.584
  172   1HA   GLY  21          2HA       GLY  21   2.477  -9.092   6.059
  173   2HA   GLY  21          1HA       GLY  21   1.712  -8.152   7.331
  174    H    ILE  22           H        ILE  22  -0.260  -7.442   4.951
  175    HA   ILE  22           HA       ILE  22  -2.209  -9.411   5.728
  176    HB   ILE  22           HB       ILE  22  -3.734  -8.179   4.215
  177   1HG1  ILE  22          2HG1      ILE  22  -1.362  -6.359   3.754
  178   2HG1  ILE  22          1HG1      ILE  22  -1.988  -7.501   2.571
  179   1HG2  ILE  22          1HG2      ILE  22  -2.881  -7.464   6.658
  180   2HG2  ILE  22          2HG2      ILE  22  -4.128  -6.590   5.769
  181   3HG2  ILE  22          3HG2      ILE  22  -2.462  -6.009   5.755
  182   1HD1  ILE  22          1HD1      ILE  22  -2.684  -5.074   2.341
  183   2HD1  ILE  22          2HD1      ILE  22  -3.701  -5.349   3.754
  184   3HD1  ILE  22          3HD1      ILE  22  -3.962  -6.285   2.283
  185    H    SER  23           H        SER  23  -3.699 -10.101   3.719
  186    HA   SER  23           HA       SER  23  -1.933 -11.709   2.033
  187   1HB   SER  23          2HB       SER  23  -4.828 -11.918   2.821
  188   2HB   SER  23          1HB       SER  23  -4.204 -12.819   1.438
  189    HG   SER  23           HG       SER  23  -3.670 -14.216   2.920
  190    H    ASP  24           H        ASP  24  -2.622 -12.073  -0.250
  191    HA   ASP  24           HA       ASP  24  -2.683  -9.658  -1.665
  192   1HB   ASP  24          2HB       ASP  24  -3.143 -11.108  -3.664
  193   2HB   ASP  24          1HB       ASP  24  -1.756 -11.615  -2.703
  194    H    ALA  25           H        ALA  25  -5.245 -11.758  -0.565
  195    HA   ALA  25           HA       ALA  25  -7.333 -10.826  -2.191
  196   1HB   ALA  25          1HB       ALA  25  -7.347 -11.998   0.582
  197   2HB   ALA  25          2HB       ALA  25  -7.667 -12.820  -0.946
  198   3HB   ALA  25          3HB       ALA  25  -8.814 -11.634  -0.325
  199    H    ALA  26           H        ALA  26  -6.259  -9.751   1.025
  200    HA   ALA  26           HA       ALA  26  -8.195  -7.769   1.413
  201   1HB   ALA  26          1HB       ALA  26  -7.096  -8.126   3.361
  202   2HB   ALA  26          2HB       ALA  26  -6.144  -6.752   2.800
  203   3HB   ALA  26          3HB       ALA  26  -5.545  -8.394   2.566
  204    H    VAL  27           H        VAL  27  -5.060  -7.657  -0.206
  205    HA   VAL  27           HA       VAL  27  -5.052  -4.846  -0.630
  206    HB   VAL  27           HB       VAL  27  -3.578  -6.965  -2.200
  207   1HG1  VAL  27          1HG1      VAL  27  -3.032  -4.019  -1.848
  208   2HG1  VAL  27          2HG1      VAL  27  -3.633  -4.797  -3.314
  209   3HG1  VAL  27          3HG1      VAL  27  -2.011  -5.161  -2.724
  210   1HG2  VAL  27          1HG2      VAL  27  -3.254  -6.940   0.332
  211   2HG2  VAL  27          2HG2      VAL  27  -2.474  -5.375   0.096
  212   3HG2  VAL  27          3HG2      VAL  27  -1.806  -6.817  -0.669
  213    H    SER  28           H        SER  28  -5.971  -7.615  -2.650
  214    HA   SER  28           HA       SER  28  -6.615  -6.083  -4.945
  215   1HB   SER  28          2HB       SER  28  -6.138  -8.500  -5.048
  216   2HB   SER  28          1HB       SER  28  -7.613  -8.826  -4.142
  217    HG   SER  28           HG       SER  28  -8.583  -8.808  -5.993
  218    H    GLN  29           H        GLN  29  -8.386  -6.984  -2.078
  219    HA   GLN  29           HA       GLN  29 -10.960  -6.307  -3.109
  220   1HB   GLN  29          2HB       GLN  29 -10.520  -7.901  -1.208
  221   2HB   GLN  29          1HB       GLN  29 -10.150  -6.501  -0.211
  222   1HG   GLN  29          2HG       GLN  29 -12.430  -5.641  -0.695
  223   2HG   GLN  29          1HG       GLN  29 -12.780  -7.168  -1.509
  224   1HE2  GLN  29          1HE2      GLN  29 -13.050  -9.018  -0.304
  225   2HE2  GLN  29          2HE2      GLN  29 -13.250  -9.000   1.413
  226    H    TRP  30           H        TRP  30  -8.336  -4.452  -2.074
  227    HA   TRP  30           HA       TRP  30  -9.488  -2.332  -0.706
  228   1HB   TRP  30          2HB       TRP  30  -7.133  -2.508  -2.567
  229   2HB   TRP  30          1HB       TRP  30  -7.610  -0.969  -1.858
  230    HD1  TRP  30           HD       TRP  30  -8.412  -3.048   0.869
  231    HE1  TRP  30           1HE      TRP  30  -6.457  -3.369   2.513
  232    HE3  TRP  30           3HE      TRP  30  -4.567  -1.508  -2.130
  233    HZ2  TRP  30           2HZ      TRP  30  -3.656  -3.016   2.535
  234    HZ3  TRP  30           3HZ      TRP  30  -2.282  -1.528  -1.221
  235    HH2  TRP  30           HH       TRP  30  -1.836  -2.267   1.062
  236    H    LYS  31           H        LYS  31  -9.660  -0.047  -1.646
  237    HA   LYS  31           HA       LYS  31 -10.970  -0.079  -4.274
  238   1HB   LYS  31          2HB       LYS  31 -12.080   1.467  -1.936
  239   2HB   LYS  31          1HB       LYS  31 -12.830   1.170  -3.493
  240   1HG   LYS  31          2HG       LYS  31 -12.160  -1.098  -1.664
  241   2HG   LYS  31          1HG       LYS  31 -13.640  -0.155  -1.443
  242   1HD   LYS  31          2HD       LYS  31 -13.370  -0.845  -4.205
  243   2HD   LYS  31          1HD       LYS  31 -13.190  -2.300  -3.226
  244   1HE   LYS  31          2HE       LYS  31 -15.460  -2.257  -3.483
  245   2HE   LYS  31          1HE       LYS  31 -15.300  -1.339  -1.988
  246   1HZ   LYS  31          1HZ       LYS  31 -15.110   0.610  -3.786
  247   2HZ   LYS  31          2HZ       LYS  31 -16.570   0.121  -3.098
  248   3HZ   LYS  31          3HZ       LYS  31 -16.120  -0.452  -4.624
  249    H    GLU  32           H        GLU  32 -11.730   2.616  -4.291
  250    HA   GLU  32           HA       GLU  32  -9.535   3.912  -5.274
  251   1HB   GLU  32          2HB       GLU  32 -12.200   4.559  -4.851
  252   2HB   GLU  32          1HB       GLU  32 -11.320   5.782  -3.941
  253   1HG   GLU  32          2HG       GLU  32 -10.020   6.325  -5.954
  254   2HG   GLU  32          1HG       GLU  32 -10.960   5.133  -6.856
  255    H    VAL  33           H        VAL  33 -10.490   3.554  -1.944
  256    HA   VAL  33           HA       VAL  33  -8.017   4.915  -1.139
  257    HB   VAL  33           HB       VAL  33 -10.630   5.223   0.343
  258   1HG1  VAL  33          1HG1      VAL  33  -7.828   5.988   0.872
  259   2HG1  VAL  33          2HG1      VAL  33  -9.138   5.620   1.994
  260   3HG1  VAL  33          3HG1      VAL  33  -9.051   7.207   1.231
  261   1HG2  VAL  33          1HG2      VAL  33  -9.396   6.818  -1.820
  262   2HG2  VAL  33          2HG2      VAL  33 -10.070   7.713  -0.460
  263   3HG2  VAL  33          3HG2      VAL  33 -11.090   6.612  -1.388
  264    H    ILE  34           H        ILE  34  -6.794   3.402  -0.239
  265    HA   ILE  34           HA       ILE  34  -7.629   0.920   0.705
  266    HB   ILE  34           HB       ILE  34  -5.417   0.940   1.989
  267   1HG1  ILE  34          2HG1      ILE  34  -4.899   3.443   0.390
  268   2HG1  ILE  34          1HG1      ILE  34  -5.432   3.505   2.068
  269   1HG2  ILE  34          1HG2      ILE  34  -5.926   0.189  -0.449
  270   2HG2  ILE  34          2HG2      ILE  34  -4.254   0.342   0.094
  271   3HG2  ILE  34          3HG2      ILE  34  -4.984   1.615  -0.885
  272   1HD1  ILE  34          1HD1      ILE  34  -2.856   2.485   0.947
  273   2HD1  ILE  34          2HD1      ILE  34  -3.422   1.984   2.541
  274   3HD1  ILE  34          3HD1      ILE  34  -3.127   3.690   2.206
  275    HA   PRO  35           HA       PRO  35  -9.440   1.364   4.688
  276   1HB   PRO  35          2HB       PRO  35  -7.743  -0.410   6.101
  277   2HB   PRO  35          1HB       PRO  35  -9.308  -0.780   5.379
  278   1HG   PRO  35          2HG       PRO  35  -6.586  -1.305   4.355
  279   2HG   PRO  35          1HG       PRO  35  -8.094  -2.174   4.041
  280   1HD   PRO  35          2HD       PRO  35  -6.926  -0.570   2.206
  281   2HD   PRO  35          1HD       PRO  35  -8.686  -0.773   2.313
  282    H    GLU  36           H        GLU  36  -8.708   1.646   7.096
  283    HA   GLU  36           HA       GLU  36  -6.990   3.935   7.134
  284   1HB   GLU  36          2HB       GLU  36  -9.006   3.810   8.520
  285   2HB   GLU  36          1HB       GLU  36  -8.324   2.451   9.401
  286   1HG   GLU  36          2HG       GLU  36  -6.368   4.222   9.788
  287   2HG   GLU  36          1HG       GLU  36  -7.719   5.336   9.587
  288    H    LYS  37           H        LYS  37  -6.880   0.979   9.129
  289    HA   LYS  37           HA       LYS  37  -4.335   1.355  10.138
  290   1HB   LYS  37          2HB       LYS  37  -4.330  -1.112  10.549
  291   2HB   LYS  37          1HB       LYS  37  -5.772  -0.282  11.119
  292   1HG   LYS  37          2HG       LYS  37  -6.686  -0.978   8.745
  293   2HG   LYS  37          1HG       LYS  37  -5.450  -2.227   8.900
  294   1HD   LYS  37          2HD       LYS  37  -6.427  -2.809  11.124
  295   2HD   LYS  37          1HD       LYS  37  -7.736  -1.674  10.788
  296   1HE   LYS  37          2HE       LYS  37  -7.178  -3.674   8.692
  297   2HE   LYS  37          1HE       LYS  37  -7.841  -4.300  10.201
  298   1HZ   LYS  37          1HZ       LYS  37  -9.818  -3.316   9.842
  299   2HZ   LYS  37          2HZ       LYS  37  -9.343  -3.371   8.221
  300   3HZ   LYS  37          3HZ       LYS  37  -9.148  -1.946   9.110
  301    H    ASP  38           H        ASP  38  -5.223   0.263   6.970
  302    HA   ASP  38           HA       ASP  38  -2.654  -0.926   6.426
  303   1HB   ASP  38          2HB       ASP  38  -5.070  -0.298   4.749
  304   2HB   ASP  38          1HB       ASP  38  -3.559  -0.804   4.001
  305    H    ALA  39           H        ALA  39  -4.350   2.037   5.437
  306    HA   ALA  39           HA       ALA  39  -2.276   3.141   3.919
  307   1HB   ALA  39          1HB       ALA  39  -4.420   4.092   3.686
  308   2HB   ALA  39          2HB       ALA  39  -3.427   5.338   4.442
  309   3HB   ALA  39          3HB       ALA  39  -4.558   4.399   5.417
  310    H    TYR  40           H        TYR  40  -2.748   2.928   7.361
  311    HA   TYR  40           HA       TYR  40  -0.916   5.011   8.058
  312   1HB   TYR  40          2HB       TYR  40  -2.660   4.318   9.616
  313   2HB   TYR  40          1HB       TYR  40  -1.985   2.688   9.679
  314    HD1  TYR  40           1HD      TYR  40  -1.204   6.239  10.462
  315    HD2  TYR  40           2HD      TYR  40  -0.336   2.149  11.247
  316    HE1  TYR  40           1HE      TYR  40   0.227   6.911  12.344
  317    HE2  TYR  40           2HE      TYR  40   1.096   2.809  13.136
  318    HH   TYR  40           HH       TYR  40   2.360   4.762  13.893
  319    H    ARG  41           H        ARG  41  -0.694   1.454   8.276
  320    HA   ARG  41           HA       ARG  41   2.046   1.402   8.930
  321   1HB   ARG  41          2HB       ARG  41   0.134  -0.640   7.836
  322   2HB   ARG  41          1HB       ARG  41   1.841  -1.018   8.023
  323   1HG   ARG  41          2HG       ARG  41   1.677  -0.471  10.417
  324   2HG   ARG  41          1HG       ARG  41  -0.049  -0.171  10.209
  325   1HD   ARG  41          2HD       ARG  41  -0.426  -2.332  10.560
  326   2HD   ARG  41          1HD       ARG  41   0.456  -2.695   9.078
  327    HE   ARG  41           HE       ARG  41   2.236  -3.393  10.341
  328   1HH1  ARG  41          1HH1      ARG  41   0.010  -1.640  12.379
  329   2HH1  ARG  41          2HH1      ARG  41   0.821  -2.070  13.848
  330   1HH2  ARG  41          1HH2      ARG  41   3.303  -3.961  12.273
  331   2HH2  ARG  41          2HH2      ARG  41   2.690  -3.387  13.787
  332    H    LEU  42           H        LEU  42   0.361   1.581   5.883
  333    HA   LEU  42           HA       LEU  42   2.365   0.724   4.144
  334   1HB   LEU  42          2HB       LEU  42  -0.061   2.380   3.947
  335   2HB   LEU  42          1HB       LEU  42   1.141   2.687   2.708
  336    HG   LEU  42           HG       LEU  42   0.054  -0.060   3.311
  337   1HD1  LEU  42          1HD1      LEU  42  -1.011   0.577   0.921
  338   2HD1  LEU  42          2HD1      LEU  42  -1.054   2.151   1.716
  339   3HD1  LEU  42          3HD1      LEU  42  -1.857   0.767   2.458
  340   1HD2  LEU  42          1HD2      LEU  42   1.921   1.101   1.304
  341   2HD2  LEU  42          2HD2      LEU  42   0.878  -0.236   0.820
  342   3HD2  LEU  42          3HD2      LEU  42   1.999  -0.436   2.166
  343    H    GLU  43           H        GLU  43   1.842   3.861   5.658
  344    HA   GLU  43           HA       GLU  43   3.753   5.314   4.192
  345   1HB   GLU  43          2HB       GLU  43   1.961   6.266   5.683
  346   2HB   GLU  43          1HB       GLU  43   2.949   5.806   7.062
  347   1HG   GLU  43          2HG       GLU  43   4.694   7.297   6.392
  348   2HG   GLU  43          1HG       GLU  43   3.871   7.650   4.872
  349    H    ILE  44           H        ILE  44   4.138   2.891   6.571
  350    HA   ILE  44           HA       ILE  44   6.794   3.787   7.358
  351    HB   ILE  44           HB       ILE  44   5.390   1.239   8.149
  352   1HG1  ILE  44          2HG1      ILE  44   5.135   4.045   9.122
  353   2HG1  ILE  44          1HG1      ILE  44   3.923   2.773   9.037
  354   1HG2  ILE  44          1HG2      ILE  44   7.910   1.478   8.416
  355   2HG2  ILE  44          2HG2      ILE  44   6.993   1.051   9.861
  356   3HG2  ILE  44          3HG2      ILE  44   7.555   2.707   9.631
  357   1HD1  ILE  44          1HD1      ILE  44   4.382   3.317  11.329
  358   2HD1  ILE  44          2HD1      ILE  44   6.106   3.039  11.085
  359   3HD1  ILE  44          3HD1      ILE  44   4.973   1.692  10.984
  360    H    VAL  45           H        VAL  45   5.325   0.953   5.780
  361    HA   VAL  45           HA       VAL  45   7.718  -0.386   5.195
  362    HB   VAL  45           HB       VAL  45   6.332  -1.423   3.285
  363   1HG1  VAL  45          1HG1      VAL  45   6.607  -2.747   5.167
  364   2HG1  VAL  45          2HG1      VAL  45   4.852  -2.607   5.049
  365   3HG1  VAL  45          3HG1      VAL  45   5.740  -1.620   6.210
  366   1HG2  VAL  45          1HG2      VAL  45   4.004  -1.063   3.247
  367   2HG2  VAL  45          2HG2      VAL  45   4.732   0.543   3.263
  368   3HG2  VAL  45          3HG2      VAL  45   4.046  -0.128   4.742
  369    H    THR  46           H        THR  46   5.940   2.077   3.419
  370    HA   THR  46           HA       THR  46   7.631   1.924   1.108
  371    HB   THR  46           HB       THR  46   6.343   3.887   0.358
  372    HG1  THR  46           1HG      THR  46   4.958   3.675   2.813
  373   1HG2  THR  46          1HG2      THR  46   4.935   2.346  -0.374
  374   2HG2  THR  46          2HG2      THR  46   3.981   2.653   1.078
  375   3HG2  THR  46          3HG2      THR  46   5.171   1.350   1.061
  376    H    ALA  47           H        ALA  47   8.342   2.974   4.091
  377    HA   ALA  47           HA       ALA  47   9.987   4.290   4.944
  378   1HB   ALA  47          1HB       ALA  47  10.976   3.540   2.539
  379   2HB   ALA  47          2HB       ALA  47  11.847   4.539   3.702
  380   3HB   ALA  47          3HB       ALA  47  10.981   5.296   2.365
  381    H    GLY  48           H        GLY  48   7.339   5.321   4.356
  382   1HA   GLY  48          2HA       GLY  48   6.325   7.363   4.759
  383   2HA   GLY  48          1HA       GLY  48   7.912   8.116   4.743
  384    H    ALA  49           H        ALA  49   6.923   6.131   2.075
  385    HA   ALA  49           HA       ALA  49   7.391   8.118   0.159
  386   1HB   ALA  49          1HB       ALA  49   7.310   5.572  -0.129
  387   2HB   ALA  49          2HB       ALA  49   6.691   6.570  -1.445
  388   3HB   ALA  49          3HB       ALA  49   5.571   5.784  -0.331
  389    H    LEU  50           H        LEU  50   4.281   6.776   1.275
  390    HA   LEU  50           HA       LEU  50   2.861   8.978   0.005
  391   1HB   LEU  50          2HB       LEU  50   1.830   6.590   1.539
  392   2HB   LEU  50          1HB       LEU  50   0.829   7.767   0.708
  393    HG   LEU  50           HG       LEU  50   2.896   6.373  -0.906
  394   1HD1  LEU  50          1HD1      LEU  50   1.453   4.784   0.717
  395   2HD1  LEU  50          2HD1      LEU  50   1.977   4.316  -0.901
  396   3HD1  LEU  50          3HD1      LEU  50   0.342   4.929  -0.645
  397   1HD2  LEU  50          1HD2      LEU  50   0.082   6.635  -1.749
  398   2HD2  LEU  50          2HD2      LEU  50   1.571   6.944  -2.643
  399   3HD2  LEU  50          3HD2      LEU  50   0.963   8.141  -1.499
  400    H    LYS  51           H        LYS  51   1.155  10.122   1.254
  401    HA   LYS  51           HA       LYS  51   2.059  10.628   4.015
  402   1HB   LYS  51          2HB       LYS  51   2.128  12.423   1.990
  403   2HB   LYS  51          1HB       LYS  51   0.516  12.730   2.620
  404   1HG   LYS  51          2HG       LYS  51   1.624  12.920   4.905
  405   2HG   LYS  51          1HG       LYS  51   3.150  13.002   4.023
  406   1HD   LYS  51          2HD       LYS  51   0.833  14.822   3.421
  407   2HD   LYS  51          1HD       LYS  51   2.058  15.216   4.628
  408   1HE   LYS  51          2HE       LYS  51   3.767  15.311   3.020
  409   2HE   LYS  51          1HE       LYS  51   2.790  14.480   1.811
  410   1HZ   LYS  51          1HZ       LYS  51   1.286  16.619   2.258
  411   2HZ   LYS  51          2HZ       LYS  51   2.490  16.571   1.071
  412   3HZ   LYS  51          3HZ       LYS  51   2.810  17.283   2.571
  413    H    TYR  52           H        TYR  52   0.674   9.749   5.402
  414    HA   TYR  52           HA       TYR  52  -1.972   9.018   4.824
  415   1HB   TYR  52          2HB       TYR  52  -0.458   8.171   6.706
  416   2HB   TYR  52          1HB       TYR  52  -0.947   9.608   7.598
  417    HD1  TYR  52           1HD      TYR  52  -1.882   6.284   6.545
  418    HD2  TYR  52           2HD      TYR  52  -3.363   9.920   8.183
  419    HE1  TYR  52           1HE      TYR  52  -3.897   5.107   7.319
  420    HE2  TYR  52           2HE      TYR  52  -5.381   8.753   8.963
  421    HH   TYR  52           HH       TYR  52  -6.561   6.837   8.874
  422    H    GLN  53           H        GLN  53  -3.904  10.010   5.070
  423    HA   GLN  53           HA       GLN  53  -3.920  12.736   6.177
  424   1HB   GLN  53          2HB       GLN  53  -5.077  11.746   3.585
  425   2HB   GLN  53          1HB       GLN  53  -5.738  13.163   4.386
  426   1HG   GLN  53          2HG       GLN  53  -3.937  14.451   3.912
  427   2HG   GLN  53          1HG       GLN  53  -2.811  13.096   3.980
  428   1HE2  GLN  53          1HE2      GLN  53  -2.109  12.271   2.129
  429   2HE2  GLN  53          2HE2      GLN  53  -2.766  12.604   0.567
  430    H    GLU  54           H        GLU  54  -5.085  12.625   7.982
  431    HA   GLU  54           HA       GLU  54  -6.898  10.669   8.708
  432   1HB   GLU  54          2HB       GLU  54  -6.232  13.382   9.649
  433   2HB   GLU  54          1HB       GLU  54  -7.836  12.816  10.097
  434   1HG   GLU  54          2HG       GLU  54  -7.036  11.379  11.602
  435   2HG   GLU  54          1HG       GLU  54  -5.738  10.839  10.538
  436    H    ASN  55           H        ASN  55  -7.423  13.585   6.838
  437    HA   ASN  55           HA       ASN  55 -10.190  13.772   6.965
  438   1HB   ASN  55          2HB       ASN  55  -9.959  14.798   4.627
  439   2HB   ASN  55          1HB       ASN  55  -9.060  15.563   5.936
  440   1HD2  ASN  55          1HD2      ASN  55  -8.782  13.301   3.252
  441   2HD2  ASN  55          2HD2      ASN  55  -7.105  13.582   2.951
  442    H    ALA  56           H        ALA  56  -8.219  11.428   5.375
  443    HA   ALA  56           HA       ALA  56 -10.500  10.446   3.814
  444   1HB   ALA  56          1HB       ALA  56  -9.049   9.641   2.295
  445   2HB   ALA  56          2HB       ALA  56  -7.898   9.106   3.521
  446   3HB   ALA  56          3HB       ALA  56  -7.942  10.800   3.033
  447    H    TYR  57           H        TYR  57  -9.821  10.100   6.820
  448    HA   TYR  57           HA       TYR  57 -10.660   7.329   6.931
  449   1HB   TYR  57          2HB       TYR  57  -8.199   8.159   8.470
  450   2HB   TYR  57          1HB       TYR  57  -8.883   6.543   8.323
  451    HD1  TYR  57           1HD      TYR  57  -6.564   8.901   6.965
  452    HD2  TYR  57           2HD      TYR  57  -8.856   5.445   6.018
  453    HE1  TYR  57           1HE      TYR  57  -5.099   8.464   5.040
  454    HE2  TYR  57           2HE      TYR  57  -7.394   4.998   4.094
  455    HH   TYR  57           HH       TYR  57  -5.535   5.595   3.002
  456    H    ARG  58           H        ARG  58 -11.730   9.983   7.618
  457    HA   ARG  58           HA       ARG  58 -12.240   9.489  10.476
  458   1HB   ARG  58          2HB       ARG  58 -10.810  11.506  10.077
  459   2HB   ARG  58          1HB       ARG  58 -12.140  12.208   9.160
  460   1HG   ARG  58          2HG       ARG  58 -12.190  13.133  11.349
  461   2HG   ARG  58          1HG       ARG  58 -13.550  12.026  11.201
  462   1HD   ARG  58          2HD       ARG  58 -11.590  10.381  12.150
  463   2HD   ARG  58          1HD       ARG  58 -11.200  11.905  12.948
  464    HE   ARG  58           HE       ARG  58 -13.980  11.178  13.116
  465   1HH1  ARG  58          1HH1      ARG  58 -10.830  10.818  14.580
  466   2HH1  ARG  58          2HH1      ARG  58 -11.470  10.436  16.146
  467   1HH2  ARG  58          1HH2      ARG  58 -14.810  10.674  15.175
  468   2HH2  ARG  58          2HH2      ARG  58 -13.730  10.354  16.484
  469    H    GLN  59           H        GLN  59 -14.150   8.382  10.121
  470    HA   GLN  59           HA       GLN  59 -16.440  10.029   9.567
  471   1HB   GLN  59          2HB       GLN  59 -17.350   8.487   7.824
  472   2HB   GLN  59          1HB       GLN  59 -15.940   9.407   7.303
  473   1HG   GLN  59          2HG       GLN  59 -14.570   7.559   7.287
  474   2HG   GLN  59          1HG       GLN  59 -15.580   6.670   8.426
  475   1HE2  GLN  59          1HE2      GLN  59 -17.960   6.500   7.456
  476   2HE2  GLN  59          2HE2      GLN  59 -18.000   5.824   5.864
  477    H    ALA  60           H        ALA  60 -18.480   8.899  10.016
  478    HA   ALA  60           HA       ALA  60 -18.070   6.815  12.047
  479   1HB   ALA  60          1HB       ALA  60 -19.980   9.055  11.754
  480   2HB   ALA  60          2HB       ALA  60 -19.220   8.385  13.200
  481   3HB   ALA  60          3HB       ALA  60 -20.610   7.571  12.470
  482    H    ALA  61           H        ALA  61 -20.130   5.384  12.293
  483    HA   ALA  61           HA       ALA  61 -20.500   4.067   9.734
  484   1HB   ALA  61          1HB       ALA  61 -19.970   2.811  11.824
  485   2HB   ALA  61          2HB       ALA  61 -21.410   2.237  10.981
  486   3HB   ALA  61          3HB       ALA  61 -21.570   3.234  12.426
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  -5.565   8.851  -0.256
    2   2H    MET   1          2HT       MET   1  -4.443   8.620   1.023
    3   3H    MET   1          3HT       MET   1  -5.764   7.541   0.831
    4    HA   MET   1           HA       MET   1  -3.697   7.929  -1.214
    5   1HB   MET   1          2HB       MET   1  -3.749   6.253   1.263
    6   2HB   MET   1          1HB       MET   1  -2.993   5.600  -0.183
    7   1HG   MET   1          2HG       MET   1  -1.144   6.629   0.468
    8   2HG   MET   1          1HG       MET   1  -1.932   8.134   0.001
    9   1HE   MET   1          1HE       MET   1  -0.503   5.930   2.379
   10   2HE   MET   1          2HE       MET   1  -0.876   6.480   4.012
   11   3HE   MET   1          3HE       MET   1   0.306   7.353   3.037
   12    H    TYR   2           H        TYR   2  -4.299   6.993  -3.051
   13    HA   TYR   2           HA       TYR   2  -6.673   5.317  -3.091
   14   1HB   TYR   2          2HB       TYR   2  -5.088   6.811  -5.131
   15   2HB   TYR   2          1HB       TYR   2  -6.056   5.442  -5.668
   16    HD1  TYR   2           1HD      TYR   2  -6.812   7.941  -3.012
   17    HD2  TYR   2           2HD      TYR   2  -7.814   6.412  -6.854
   18    HE1  TYR   2           1HE      TYR   2  -8.808   9.375  -3.056
   19    HE2  TYR   2           2HE      TYR   2  -9.814   7.843  -6.908
   20    HH   TYR   2           HH       TYR   2 -11.320   8.958  -5.177
   21    H    LYS   3           H        LYS   3  -6.753   3.216  -3.865
   22    HA   LYS   3           HA       LYS   3  -4.612   1.536  -3.249
   23   1HB   LYS   3          2HB       LYS   3  -7.181   1.069  -3.626
   24   2HB   LYS   3          1HB       LYS   3  -6.652   0.676  -5.255
   25   1HG   LYS   3          2HG       LYS   3  -4.927  -0.613  -3.383
   26   2HG   LYS   3          1HG       LYS   3  -6.605  -0.957  -2.963
   27   1HD   LYS   3          2HD       LYS   3  -5.649  -1.207  -5.792
   28   2HD   LYS   3          1HD       LYS   3  -5.394  -2.513  -4.634
   29   1HE   LYS   3          2HE       LYS   3  -7.575  -3.083  -4.603
   30   2HE   LYS   3          1HE       LYS   3  -8.119  -1.409  -4.706
   31   1HZ   LYS   3          1HZ       LYS   3  -6.854  -2.487  -7.089
   32   2HZ   LYS   3          2HZ       LYS   3  -8.208  -1.483  -6.941
   33   3HZ   LYS   3          3HZ       LYS   3  -8.360  -3.150  -6.694
   34    H    LYS   4           H        LYS   4  -5.511   3.094  -6.251
   35    HA   LYS   4           HA       LYS   4  -3.886   1.580  -7.989
   36   1HB   LYS   4          2HB       LYS   4  -5.765   3.312  -8.503
   37   2HB   LYS   4          1HB       LYS   4  -4.461   4.488  -8.444
   38   1HG   LYS   4          2HG       LYS   4  -4.945   3.742 -10.725
   39   2HG   LYS   4          1HG       LYS   4  -3.299   3.346 -10.228
   40   1HD   LYS   4          2HD       LYS   4  -3.669   1.126 -10.333
   41   2HD   LYS   4          1HD       LYS   4  -5.298   1.265  -9.670
   42   1HE   LYS   4          2HE       LYS   4  -4.495   1.920 -12.504
   43   2HE   LYS   4          1HE       LYS   4  -5.306   0.443 -11.986
   44   1HZ   LYS   4          1HZ       LYS   4  -6.948   2.280 -10.992
   45   2HZ   LYS   4          2HZ       LYS   4  -7.130   1.611 -12.535
   46   3HZ   LYS   4          3HZ       LYS   4  -6.378   3.115 -12.349
   47    H    ASP   5           H        ASP   5  -3.216   4.254  -5.850
   48    HA   ASP   5           HA       ASP   5  -0.680   4.924  -6.981
   49   1HB   ASP   5          2HB       ASP   5  -2.061   6.483  -5.597
   50   2HB   ASP   5          1HB       ASP   5  -1.690   5.496  -4.186
   51    H    VAL   6           H        VAL   6  -1.681   3.051  -4.123
   52    HA   VAL   6           HA       VAL   6   0.826   2.403  -3.148
   53    HB   VAL   6           HB       VAL   6  -1.457   0.455  -3.058
   54   1HG1  VAL   6          1HG1      VAL   6   0.816   1.222  -1.273
   55   2HG1  VAL   6          2HG1      VAL   6   0.436  -0.355  -1.963
   56   3HG1  VAL   6          3HG1      VAL   6  -0.566   0.309  -0.673
   57   1HG2  VAL   6          1HG2      VAL   6  -2.099   1.827  -0.941
   58   2HG2  VAL   6          2HG2      VAL   6  -2.672   2.353  -2.525
   59   3HG2  VAL   6          3HG2      VAL   6  -1.291   3.155  -1.777
   60    H    ILE   7           H        ILE   7  -1.198   0.669  -5.493
   61    HA   ILE   7           HA       ILE   7   0.537  -1.514  -5.875
   62    HB   ILE   7           HB       ILE   7  -1.482  -0.345  -7.797
   63   1HG1  ILE   7          2HG1      ILE   7  -1.771  -2.660  -5.873
   64   2HG1  ILE   7          1HG1      ILE   7  -2.371  -1.035  -5.563
   65   1HG2  ILE   7          1HG2      ILE   7  -0.211  -3.079  -7.755
   66   2HG2  ILE   7          2HG2      ILE   7   0.125  -1.799  -8.921
   67   3HG2  ILE   7          3HG2      ILE   7  -1.474  -2.541  -8.861
   68   1HD1  ILE   7          1HD1      ILE   7  -4.151  -2.478  -6.331
   69   2HD1  ILE   7          2HD1      ILE   7  -3.241  -2.853  -7.794
   70   3HD1  ILE   7          3HD1      ILE   7  -3.830  -1.215  -7.518
   71    H    ASP   8           H        ASP   8   0.325   1.641  -7.425
   72    HA   ASP   8           HA       ASP   8   2.268   1.045  -9.443
   73   1HB   ASP   8          2HB       ASP   8   0.425   3.125  -8.929
   74   2HB   ASP   8          1HB       ASP   8   2.021   3.870  -8.944
   75    H    HIS   9           H        HIS   9   2.329   2.107  -6.168
   76    HA   HIS   9           HA       HIS   9   4.991   3.199  -6.300
   77   1HB   HIS   9          2HB       HIS   9   3.498   4.200  -4.709
   78   2HB   HIS   9          1HB       HIS   9   3.111   2.637  -4.004
   79    HD1  HIS   9           1HD      HIS   9   5.025   5.520  -3.301
   80    HD2  HIS   9           2HD      HIS   9   5.691   1.441  -2.878
   81    HE1  HIS   9           1HE      HIS   9   6.861   5.311  -1.594
   82    HE2  HIS   9           2HE      HIS   9   7.309   2.837  -1.425
   83    H    PHE  10           H        PHE  10   3.476   0.158  -5.597
   84    HA   PHE  10           HA       PHE  10   5.948  -0.944  -4.513
   85   1HB   PHE  10          2HB       PHE  10   3.123  -1.962  -4.678
   86   2HB   PHE  10          1HB       PHE  10   4.461  -3.033  -4.275
   87    HD1  PHE  10           1HD      PHE  10   4.267  -3.556  -2.040
   88    HD2  PHE  10           2HD      PHE  10   3.757   0.482  -3.274
   89    HE1  PHE  10           1HE      PHE  10   4.111  -2.858   0.314
   90    HE2  PHE  10           2HE      PHE  10   3.600   1.188  -0.925
   91    HZ   PHE  10           HZ       PHE  10   3.778  -0.483   0.875
   92    H    GLY  11           H        GLY  11   3.645  -1.542  -7.154
   93   1HA   GLY  11          2HA       GLY  11   4.603  -1.957  -9.376
   94   2HA   GLY  11          1HA       GLY  11   5.819  -2.946  -8.582
   95    H    THR  12           H        THR  12   3.834  -4.157  -6.769
   96    HA   THR  12           HA       THR  12   2.134  -5.666  -8.607
   97    HB   THR  12           HB       THR  12   2.909  -7.818  -7.654
   98    HG1  THR  12           1HG      THR  12   5.021  -6.301  -6.533
   99   1HG2  THR  12          1HG2      THR  12   3.895  -7.146  -9.754
  100   2HG2  THR  12          2HG2      THR  12   5.096  -7.952  -8.743
  101   3HG2  THR  12          3HG2      THR  12   5.112  -6.195  -8.902
  102    H    GLN  13           H        GLN  13   0.942  -7.439  -7.144
  103    HA   GLN  13           HA       GLN  13  -0.370  -5.887  -5.064
  104   1HB   GLN  13          2HB       GLN  13  -1.039  -8.478  -6.450
  105   2HB   GLN  13          1HB       GLN  13  -1.947  -7.900  -5.059
  106   1HG   GLN  13          2HG       GLN  13  -1.561  -6.067  -7.367
  107   2HG   GLN  13          1HG       GLN  13  -2.721  -7.388  -7.513
  108   1HE2  GLN  13          1HE2      GLN  13  -4.014  -7.581  -5.289
  109   2HE2  GLN  13          2HE2      GLN  13  -4.764  -6.100  -4.809
  110    H    ARG  14           H        ARG  14   1.044  -9.142  -5.396
  111    HA   ARG  14           HA       ARG  14   0.833  -9.988  -2.778
  112   1HB   ARG  14          2HB       ARG  14   1.675 -11.282  -4.805
  113   2HB   ARG  14          1HB       ARG  14   3.246 -10.552  -4.495
  114   1HG   ARG  14          2HG       ARG  14   3.564 -11.739  -2.548
  115   2HG   ARG  14          1HG       ARG  14   1.837 -12.005  -2.304
  116   1HD   ARG  14          2HD       ARG  14   1.810 -13.548  -4.204
  117   2HD   ARG  14          1HD       ARG  14   3.536 -13.278  -4.449
  118    HE   ARG  14           HE       ARG  14   3.411 -14.124  -1.886
  119   1HH1  ARG  14          1HH1      ARG  14   2.140 -15.401  -4.875
  120   2HH1  ARG  14          2HH1      ARG  14   2.230 -17.048  -4.356
  121   1HH2  ARG  14          1HH2      ARG  14   3.528 -16.292  -1.201
  122   2HH2  ARG  14          2HH2      ARG  14   3.015 -17.556  -2.268
  123    H    ALA  15           H        ALA  15   3.083  -7.708  -4.166
  124    HA   ALA  15           HA       ALA  15   5.001  -7.696  -2.101
  125   1HB   ALA  15          1HB       ALA  15   5.180  -6.671  -4.428
  126   2HB   ALA  15          2HB       ALA  15   5.866  -5.749  -3.090
  127   3HB   ALA  15          3HB       ALA  15   4.301  -5.293  -3.763
  128    H    VAL  16           H        VAL  16   2.139  -5.665  -2.655
  129    HA   VAL  16           HA       VAL  16   2.441  -4.025  -0.404
  130    HB   VAL  16           HB       VAL  16  -0.348  -4.627  -1.146
  131   1HG1  VAL  16          1HG1      VAL  16   1.303  -2.115  -1.007
  132   2HG1  VAL  16          2HG1      VAL  16   0.234  -2.742   0.247
  133   3HG1  VAL  16          3HG1      VAL  16  -0.437  -2.171  -1.283
  134   1HG2  VAL  16          1HG2      VAL  16  -0.011  -3.219  -3.288
  135   2HG2  VAL  16          2HG2      VAL  16   0.357  -4.942  -3.344
  136   3HG2  VAL  16          3HG2      VAL  16   1.664  -3.766  -3.197
  137    H    ALA  17           H        ALA  17   0.906  -7.161  -0.826
  138    HA   ALA  17           HA       ALA  17  -0.337  -7.251   1.726
  139   1HB   ALA  17          1HB       ALA  17  -1.184  -9.202   1.021
  140   2HB   ALA  17          2HB       ALA  17   0.397  -9.833   0.559
  141   3HB   ALA  17          3HB       ALA  17  -0.481  -8.768  -0.538
  142    H    LYS  18           H        LYS  18   2.842  -8.101   0.538
  143    HA   LYS  18           HA       LYS  18   3.615  -9.543   2.897
  144   1HB   LYS  18          2HB       LYS  18   4.688  -9.080   0.294
  145   2HB   LYS  18          1HB       LYS  18   5.903  -8.615   1.476
  146   1HG   LYS  18          2HG       LYS  18   6.266 -10.732   2.133
  147   2HG   LYS  18          1HG       LYS  18   4.564 -11.177   2.000
  148   1HD   LYS  18          2HD       LYS  18   5.400 -10.700  -0.622
  149   2HD   LYS  18          1HD       LYS  18   6.729 -11.587   0.131
  150   1HE   LYS  18          2HE       LYS  18   5.014 -13.035  -0.956
  151   2HE   LYS  18          1HE       LYS  18   5.273 -13.376   0.754
  152   1HZ   LYS  18          1HZ       LYS  18   2.877 -13.157  -0.222
  153   2HZ   LYS  18          2HZ       LYS  18   3.146 -11.502   0.002
  154   3HZ   LYS  18          3HZ       LYS  18   3.233 -12.558   1.320
  155    H    ALA  19           H        ALA  19   3.740  -6.238   1.816
  156    HA   ALA  19           HA       ALA  19   5.697  -5.309   3.647
  157   1HB   ALA  19          1HB       ALA  19   3.720  -4.068   1.825
  158   2HB   ALA  19          2HB       ALA  19   5.456  -3.792   1.976
  159   3HB   ALA  19          3HB       ALA  19   4.343  -3.074   3.141
  160    H    LEU  20           H        LEU  20   2.137  -5.092   3.675
  161    HA   LEU  20           HA       LEU  20   2.115  -4.074   6.368
  162   1HB   LEU  20          2HB       LEU  20  -0.257  -5.128   4.849
  163   2HB   LEU  20          1HB       LEU  20  -0.240  -3.948   6.146
  164    HG   LEU  20           HG       LEU  20   1.196  -3.280   3.621
  165   1HD1  LEU  20          1HD1      LEU  20  -1.212  -2.222   3.092
  166   2HD1  LEU  20          2HD1      LEU  20  -1.709  -3.723   3.873
  167   3HD1  LEU  20          3HD1      LEU  20  -0.668  -3.773   2.450
  168   1HD2  LEU  20          1HD2      LEU  20  -0.493  -1.643   5.508
  169   2HD2  LEU  20          2HD2      LEU  20   0.532  -1.038   4.206
  170   3HD2  LEU  20          3HD2      LEU  20   1.259  -1.813   5.613
  171    H    GLY  21           H        GLY  21   1.652  -7.170   4.796
  172   1HA   GLY  21          2HA       GLY  21   2.180  -9.178   6.037
  173   2HA   GLY  21          1HA       GLY  21   1.508  -8.410   7.468
  174    H    ILE  22           H        ILE  22  -0.106  -8.165   4.396
  175    HA   ILE  22           HA       ILE  22  -2.202  -9.970   5.414
  176    HB   ILE  22           HB       ILE  22  -3.787  -8.702   4.006
  177   1HG1  ILE  22          2HG1      ILE  22  -1.474  -6.797   3.588
  178   2HG1  ILE  22          1HG1      ILE  22  -2.110  -7.888   2.361
  179   1HG2  ILE  22          1HG2      ILE  22  -2.294  -7.532   6.267
  180   2HG2  ILE  22          2HG2      ILE  22  -4.012  -7.895   6.105
  181   3HG2  ILE  22          3HG2      ILE  22  -3.347  -6.436   5.370
  182   1HD1  ILE  22          1HD1      ILE  22  -4.115  -6.703   2.190
  183   2HD1  ILE  22          2HD1      ILE  22  -2.863  -5.464   2.289
  184   3HD1  ILE  22          3HD1      ILE  22  -3.839  -5.847   3.707
  185    H    SER  23           H        SER  23  -3.686 -10.575   3.357
  186    HA   SER  23           HA       SER  23  -1.881 -12.048   1.597
  187   1HB   SER  23          2HB       SER  23  -4.741 -12.350   2.423
  188   2HB   SER  23          1HB       SER  23  -4.225 -13.048   0.887
  189    HG   SER  23           HG       SER  23  -3.136 -13.577   3.455
  190    H    ASP  24           H        ASP  24  -2.517 -12.270  -0.718
  191    HA   ASP  24           HA       ASP  24  -2.564  -9.779  -1.988
  192   1HB   ASP  24          2HB       ASP  24  -2.948 -11.077  -4.076
  193   2HB   ASP  24          1HB       ASP  24  -1.636 -11.723  -3.095
  194    H    ALA  25           H        ALA  25  -5.145 -11.945  -1.068
  195    HA   ALA  25           HA       ALA  25  -7.200 -10.862  -2.655
  196   1HB   ALA  25          1HB       ALA  25  -7.952 -11.872   0.010
  197   2HB   ALA  25          2HB       ALA  25  -7.030 -12.982  -1.004
  198   3HB   ALA  25          3HB       ALA  25  -8.556 -12.314  -1.586
  199    H    ALA  26           H        ALA  26  -6.013 -10.023   0.567
  200    HA   ALA  26           HA       ALA  26  -8.008  -8.168   1.240
  201   1HB   ALA  26          1HB       ALA  26  -6.590  -8.962   2.964
  202   2HB   ALA  26          2HB       ALA  26  -6.256  -7.238   2.796
  203   3HB   ALA  26          3HB       ALA  26  -5.141  -8.424   2.115
  204    H    VAL  27           H        VAL  27  -5.016  -7.833  -0.587
  205    HA   VAL  27           HA       VAL  27  -5.021  -5.006  -0.735
  206    HB   VAL  27           HB       VAL  27  -3.813  -6.929  -2.726
  207   1HG1  VAL  27          1HG1      VAL  27  -3.970  -4.540  -3.408
  208   2HG1  VAL  27          2HG1      VAL  27  -2.316  -5.139  -3.284
  209   3HG1  VAL  27          3HG1      VAL  27  -2.984  -4.121  -2.007
  210   1HG2  VAL  27          1HG2      VAL  27  -1.716  -6.380  -1.280
  211   2HG2  VAL  27          2HG2      VAL  27  -2.840  -7.633  -0.754
  212   3HG2  VAL  27          3HG2      VAL  27  -2.904  -6.029  -0.026
  213    H    SER  28           H        SER  28  -6.059  -7.485  -3.076
  214    HA   SER  28           HA       SER  28  -7.054  -5.646  -4.978
  215   1HB   SER  28          2HB       SER  28  -6.461  -8.126  -5.310
  216   2HB   SER  28          1HB       SER  28  -8.065  -8.469  -4.662
  217    HG   SER  28           HG       SER  28  -8.816  -6.957  -6.357
  218    H    GLN  29           H        GLN  29  -8.458  -7.181  -2.167
  219    HA   GLN  29           HA       GLN  29 -11.170  -6.645  -2.731
  220   1HB   GLN  29          2HB       GLN  29 -10.310  -8.241  -0.995
  221   2HB   GLN  29          1HB       GLN  29  -9.888  -6.852  -0.004
  222   1HG   GLN  29          2HG       GLN  29 -12.090  -6.294   0.399
  223   2HG   GLN  29          1HG       GLN  29 -12.680  -7.189  -1.003
  224   1HE2  GLN  29          1HE2      GLN  29 -11.850  -9.630  -0.799
  225   2HE2  GLN  29          2HE2      GLN  29 -12.310 -10.377   0.690
  226    H    TRP  30           H        TRP  30  -8.589  -4.629  -1.646
  227    HA   TRP  30           HA       TRP  30  -9.909  -2.661  -0.213
  228   1HB   TRP  30          2HB       TRP  30  -7.560  -2.472  -2.098
  229   2HB   TRP  30          1HB       TRP  30  -8.113  -1.118  -1.120
  230    HD1  TRP  30           HD       TRP  30  -8.724  -3.427   1.347
  231    HE1  TRP  30           1HE      TRP  30  -6.689  -4.001   2.814
  232    HE3  TRP  30           3HE      TRP  30  -5.003  -1.752  -1.734
  233    HZ2  TRP  30           2HZ      TRP  30  -3.877  -3.774   2.681
  234    HZ3  TRP  30           3HZ      TRP  30  -2.669  -1.965  -0.989
  235    HH2  TRP  30           HH       TRP  30  -2.119  -2.956   1.175
  236    H    LYS  31           H        LYS  31 -10.450  -0.443  -0.920
  237    HA   LYS  31           HA       LYS  31 -11.870  -0.506  -3.498
  238   1HB   LYS  31          2HB       LYS  31 -12.470   1.336  -1.189
  239   2HB   LYS  31          1HB       LYS  31 -13.480   0.980  -2.584
  240   1HG   LYS  31          2HG       LYS  31 -14.500  -0.592  -1.415
  241   2HG   LYS  31          1HG       LYS  31 -12.980  -1.477  -1.304
  242   1HD   LYS  31          2HD       LYS  31 -12.690  -0.919   0.846
  243   2HD   LYS  31          1HD       LYS  31 -13.160   0.758   0.568
  244   1HE   LYS  31          2HE       LYS  31 -15.410  -1.067   0.346
  245   2HE   LYS  31          1HE       LYS  31 -14.620  -1.175   1.920
  246   1HZ   LYS  31          1HZ       LYS  31 -14.750   1.443   1.679
  247   2HZ   LYS  31          2HZ       LYS  31 -16.020   0.537   2.335
  248   3HZ   LYS  31          3HZ       LYS  31 -16.090   1.045   0.722
  249    H    GLU  32           H        GLU  32 -12.420   2.236  -3.677
  250    HA   GLU  32           HA       GLU  32 -10.270   3.224  -5.084
  251   1HB   GLU  32          2HB       GLU  32 -12.770   4.278  -4.051
  252   2HB   GLU  32          1HB       GLU  32 -11.510   5.505  -4.060
  253   1HG   GLU  32          2HG       GLU  32 -11.220   5.341  -6.378
  254   2HG   GLU  32          1HG       GLU  32 -12.100   3.816  -6.467
  255    H    VAL  33           H        VAL  33 -10.900   3.445  -1.644
  256    HA   VAL  33           HA       VAL  33  -8.283   4.751  -1.309
  257    HB   VAL  33           HB       VAL  33 -10.630   5.063   0.555
  258   1HG1  VAL  33          1HG1      VAL  33  -7.817   5.929   0.588
  259   2HG1  VAL  33          2HG1      VAL  33  -8.919   5.591   1.923
  260   3HG1  VAL  33          3HG1      VAL  33  -9.007   7.135   1.077
  261   1HG2  VAL  33          1HG2      VAL  33 -10.880   7.312  -0.335
  262   2HG2  VAL  33          2HG2      VAL  33 -11.080   6.116  -1.616
  263   3HG2  VAL  33          3HG2      VAL  33  -9.580   7.021  -1.483
  264    H    ILE  34           H        ILE  34  -6.843   3.535  -0.287
  265    HA   ILE  34           HA       ILE  34  -7.311   0.976   0.677
  266    HB   ILE  34           HB       ILE  34  -5.114   1.286   1.933
  267   1HG1  ILE  34          2HG1      ILE  34  -5.070   3.897   0.410
  268   2HG1  ILE  34          1HG1      ILE  34  -5.377   3.778   2.140
  269   1HG2  ILE  34          1HG2      ILE  34  -4.557   0.275   0.025
  270   2HG2  ILE  34          2HG2      ILE  34  -4.043   1.869  -0.525
  271   3HG2  ILE  34          3HG2      ILE  34  -5.654   1.273  -0.927
  272   1HD1  ILE  34          1HD1      ILE  34  -3.117   2.530   2.205
  273   2HD1  ILE  34          2HD1      ILE  34  -3.131   4.286   2.042
  274   3HD1  ILE  34          3HD1      ILE  34  -2.857   3.270   0.626
  275    HA   PRO  35           HA       PRO  35  -9.171   1.153   4.656
  276   1HB   PRO  35          2HB       PRO  35  -6.877  -0.522   5.580
  277   2HB   PRO  35          1HB       PRO  35  -8.614  -0.781   5.781
  278   1HG   PRO  35          2HG       PRO  35  -7.251  -2.176   3.978
  279   2HG   PRO  35          1HG       PRO  35  -8.881  -1.579   3.615
  280   1HD   PRO  35          2HD       PRO  35  -6.236  -0.559   2.682
  281   2HD   PRO  35          1HD       PRO  35  -7.788  -0.626   1.823
  282    H    GLU  36           H        GLU  36  -8.916   2.032   6.752
  283    HA   GLU  36           HA       GLU  36  -7.119   4.203   6.919
  284   1HB   GLU  36          2HB       GLU  36  -9.309   4.223   8.006
  285   2HB   GLU  36          1HB       GLU  36  -8.810   2.915   9.069
  286   1HG   GLU  36          2HG       GLU  36  -6.887   4.640   9.663
  287   2HG   GLU  36          1HG       GLU  36  -8.114   5.791   9.138
  288    H    LYS  37           H        LYS  37  -6.958   0.911   8.057
  289    HA   LYS  37           HA       LYS  37  -4.663   1.469   9.751
  290   1HB   LYS  37          2HB       LYS  37  -6.407  -0.903   9.262
  291   2HB   LYS  37          1HB       LYS  37  -4.796  -1.162   9.916
  292   1HG   LYS  37          2HG       LYS  37  -5.499   0.660  11.636
  293   2HG   LYS  37          1HG       LYS  37  -7.135   0.224  11.138
  294   1HD   LYS  37          2HD       LYS  37  -6.511  -2.176  11.613
  295   2HD   LYS  37          1HD       LYS  37  -5.036  -1.557  12.361
  296   1HE   LYS  37          2HE       LYS  37  -6.519  -0.140  13.828
  297   2HE   LYS  37          1HE       LYS  37  -7.885  -1.060  13.199
  298   1HZ   LYS  37          1HZ       LYS  37  -6.791  -3.089  14.023
  299   2HZ   LYS  37          2HZ       LYS  37  -7.163  -2.005  15.266
  300   3HZ   LYS  37          3HZ       LYS  37  -5.571  -2.142  14.713
  301    H    ASP  38           H        ASP  38  -5.334   0.295   6.561
  302    HA   ASP  38           HA       ASP  38  -2.764  -0.961   6.219
  303   1HB   ASP  38          2HB       ASP  38  -5.180  -0.533   4.556
  304   2HB   ASP  38          1HB       ASP  38  -3.654  -0.671   3.687
  305    H    ALA  39           H        ALA  39  -4.251   2.125   5.427
  306    HA   ALA  39           HA       ALA  39  -2.131   3.103   3.815
  307   1HB   ALA  39          1HB       ALA  39  -4.517   3.974   3.930
  308   2HB   ALA  39          2HB       ALA  39  -3.235   5.182   3.864
  309   3HB   ALA  39          3HB       ALA  39  -4.024   4.817   5.398
  310    H    TYR  40           H        TYR  40  -2.632   2.882   7.238
  311    HA   TYR  40           HA       TYR  40  -0.781   4.894   8.021
  312   1HB   TYR  40          2HB       TYR  40  -2.509   4.111   9.551
  313   2HB   TYR  40          1HB       TYR  40  -1.826   2.484   9.524
  314    HD1  TYR  40           1HD      TYR  40  -1.181   5.972  10.591
  315    HD2  TYR  40           2HD      TYR  40  -0.046   1.889  10.960
  316    HE1  TYR  40           1HE      TYR  40   0.249   6.550  12.505
  317    HE2  TYR  40           2HE      TYR  40   1.388   2.455  12.877
  318    HH   TYR  40           HH       TYR  40   2.146   5.695  13.711
  319    H    ARG  41           H        ARG  41  -0.533   1.334   8.046
  320    HA   ARG  41           HA       ARG  41   2.176   1.209   8.729
  321   1HB   ARG  41          2HB       ARG  41   0.439  -0.725   7.193
  322   2HB   ARG  41          1HB       ARG  41   2.077  -1.096   7.716
  323   1HG   ARG  41          2HG       ARG  41   1.428  -1.537   9.799
  324   2HG   ARG  41          1HG       ARG  41   0.411  -0.096   9.877
  325   1HD   ARG  41          2HD       ARG  41  -1.446  -1.254   9.413
  326   2HD   ARG  41          1HD       ARG  41  -0.661  -2.158   8.119
  327    HE   ARG  41           HE       ARG  41   0.123  -3.011  10.746
  328   1HH1  ARG  41          1HH1      ARG  41  -2.263  -3.367   8.224
  329   2HH1  ARG  41          2HH1      ARG  41  -2.746  -4.951   8.730
  330   1HH2  ARG  41          1HH2      ARG  41  -0.510  -5.094  11.414
  331   2HH2  ARG  41          2HH2      ARG  41  -1.750  -5.932  10.543
  332    H    LEU  42           H        LEU  42   0.611   1.765   5.668
  333    HA   LEU  42           HA       LEU  42   2.638   1.101   3.892
  334   1HB   LEU  42          2HB       LEU  42   0.359   3.007   3.853
  335   2HB   LEU  42          1HB       LEU  42   1.584   3.189   2.615
  336    HG   LEU  42           HG       LEU  42   0.094   0.616   3.132
  337   1HD1  LEU  42          1HD1      LEU  42  -1.010   2.907   2.115
  338   2HD1  LEU  42          2HD1      LEU  42  -1.571   1.266   1.795
  339   3HD1  LEU  42          3HD1      LEU  42  -0.476   2.060   0.662
  340   1HD2  LEU  42          1HD2      LEU  42   2.437   0.756   1.965
  341   2HD2  LEU  42          2HD2      LEU  42   1.487   1.329   0.594
  342   3HD2  LEU  42          3HD2      LEU  42   1.157  -0.256   1.295
  343    H    GLU  43           H        GLU  43   2.154   4.052   5.764
  344    HA   GLU  43           HA       GLU  43   4.130   5.636   4.588
  345   1HB   GLU  43          2HB       GLU  43   2.394   6.421   6.199
  346   2HB   GLU  43          1HB       GLU  43   3.298   5.650   7.493
  347   1HG   GLU  43          2HG       GLU  43   5.262   7.111   6.692
  348   2HG   GLU  43          1HG       GLU  43   4.021   8.046   5.858
  349    H    ILE  44           H        ILE  44   4.435   2.885   6.630
  350    HA   ILE  44           HA       ILE  44   7.129   3.556   7.482
  351    HB   ILE  44           HB       ILE  44   5.646   0.966   7.901
  352   1HG1  ILE  44          2HG1      ILE  44   5.505   3.599   9.290
  353   2HG1  ILE  44          1HG1      ILE  44   4.245   2.399   9.032
  354   1HG2  ILE  44          1HG2      ILE  44   7.231   0.624   9.713
  355   2HG2  ILE  44          2HG2      ILE  44   7.997   2.173   9.358
  356   3HG2  ILE  44          3HG2      ILE  44   8.082   0.857   8.186
  357   1HD1  ILE  44          1HD1      ILE  44   4.778   2.604  11.380
  358   2HD1  ILE  44          2HD1      ILE  44   6.470   2.234  11.047
  359   3HD1  ILE  44          3HD1      ILE  44   5.233   1.005  10.785
  360    H    VAL  45           H        VAL  45   5.565   1.015   5.536
  361    HA   VAL  45           HA       VAL  45   7.940  -0.249   4.720
  362    HB   VAL  45           HB       VAL  45   6.491  -1.067   2.765
  363   1HG1  VAL  45          1HG1      VAL  45   4.932  -2.146   4.788
  364   2HG1  VAL  45          2HG1      VAL  45   6.435  -1.694   5.592
  365   3HG1  VAL  45          3HG1      VAL  45   6.471  -2.773   4.198
  366   1HG2  VAL  45          1HG2      VAL  45   4.904   0.898   3.009
  367   2HG2  VAL  45          2HG2      VAL  45   4.247   0.060   4.414
  368   3HG2  VAL  45          3HG2      VAL  45   4.168  -0.694   2.822
  369    H    THR  46           H        THR  46   6.100   2.406   3.320
  370    HA   THR  46           HA       THR  46   7.712   2.520   0.947
  371    HB   THR  46           HB       THR  46   6.373   4.544   0.465
  372    HG1  THR  46           1HG      THR  46   4.671   5.030   1.930
  373   1HG2  THR  46          1HG2      THR  46   4.836   3.214  -0.387
  374   2HG2  THR  46          2HG2      THR  46   4.116   3.001   1.208
  375   3HG2  THR  46          3HG2      THR  46   5.391   1.912   0.664
  376    H    ALA  47           H        ALA  47   8.687   3.136   3.898
  377    HA   ALA  47           HA       ALA  47  10.320   4.414   4.829
  378   1HB   ALA  47          1HB       ALA  47  11.864   4.100   3.190
  379   2HB   ALA  47          2HB       ALA  47  11.634   5.839   3.015
  380   3HB   ALA  47          3HB       ALA  47  10.811   4.727   1.921
  381    H    GLY  48           H        GLY  48   7.586   5.462   4.459
  382   1HA   GLY  48          2HA       GLY  48   6.546   7.400   5.171
  383   2HA   GLY  48          1HA       GLY  48   8.127   8.158   5.293
  384    H    ALA  49           H        ALA  49   7.303   6.671   2.289
  385    HA   ALA  49           HA       ALA  49   7.546   9.142   0.892
  386   1HB   ALA  49          1HB       ALA  49   8.229   7.551  -0.542
  387   2HB   ALA  49          2HB       ALA  49   6.520   7.451  -0.964
  388   3HB   ALA  49          3HB       ALA  49   7.212   6.310   0.190
  389    H    LEU  50           H        LEU  50   4.827   7.001   1.655
  390    HA   LEU  50           HA       LEU  50   2.947   8.891   0.474
  391   1HB   LEU  50          2HB       LEU  50   2.635   6.142   1.666
  392   2HB   LEU  50          1HB       LEU  50   1.261   7.131   1.209
  393    HG   LEU  50           HG       LEU  50   3.424   6.386  -0.749
  394   1HD1  LEU  50          1HD1      LEU  50   0.952   4.880   0.044
  395   2HD1  LEU  50          2HD1      LEU  50   2.608   4.289  -0.093
  396   3HD1  LEU  50          3HD1      LEU  50   1.695   4.696  -1.545
  397   1HD2  LEU  50          1HD2      LEU  50   0.784   7.738  -0.862
  398   2HD2  LEU  50          2HD2      LEU  50   1.241   6.703  -2.215
  399   3HD2  LEU  50          3HD2      LEU  50   2.266   8.065  -1.762
  400    H    LYS  51           H        LYS  51   2.304  10.550   1.676
  401    HA   LYS  51           HA       LYS  51   2.478  10.490   4.550
  402   1HB   LYS  51          2HB       LYS  51   2.101  12.507   2.470
  403   2HB   LYS  51          1HB       LYS  51   1.097  12.795   3.885
  404   1HG   LYS  51          2HG       LYS  51   2.874  13.811   4.750
  405   2HG   LYS  51          1HG       LYS  51   3.540  12.194   4.986
  406   1HD   LYS  51          2HD       LYS  51   5.188  13.518   3.863
  407   2HD   LYS  51          1HD       LYS  51   4.542  12.355   2.703
  408   1HE   LYS  51          2HE       LYS  51   4.837  14.733   1.876
  409   2HE   LYS  51          1HE       LYS  51   3.256  14.000   1.613
  410   1HZ   LYS  51          1HZ       LYS  51   3.526  16.402   2.624
  411   2HZ   LYS  51          2HZ       LYS  51   3.645  15.533   4.070
  412   3HZ   LYS  51          3HZ       LYS  51   2.267  15.376   3.101
  413    H    TYR  52           H        TYR  52   0.934   9.926   5.923
  414    HA   TYR  52           HA       TYR  52  -1.647   9.114   4.952
  415   1HB   TYR  52          2HB       TYR  52  -0.364   7.937   6.778
  416   2HB   TYR  52          1HB       TYR  52  -0.731   9.303   7.826
  417    HD1  TYR  52           1HD      TYR  52  -3.284   9.908   8.015
  418    HD2  TYR  52           2HD      TYR  52  -1.800   6.121   6.767
  419    HE1  TYR  52           1HE      TYR  52  -5.430   8.875   8.619
  420    HE2  TYR  52           2HE      TYR  52  -3.945   5.077   7.367
  421    HH   TYR  52           HH       TYR  52  -6.445   6.001   7.574
  422    H    GLN  53           H        GLN  53  -3.569  10.136   5.151
  423    HA   GLN  53           HA       GLN  53  -3.614  12.694   6.607
  424   1HB   GLN  53          2HB       GLN  53  -4.922  12.139   3.938
  425   2HB   GLN  53          1HB       GLN  53  -5.020  13.645   4.840
  426   1HG   GLN  53          2HG       GLN  53  -3.201  14.367   3.823
  427   2HG   GLN  53          1HG       GLN  53  -2.282  13.039   4.527
  428   1HE2  GLN  53          1HE2      GLN  53  -1.701  14.151   2.044
  429   2HE2  GLN  53          2HE2      GLN  53  -1.998  12.967   0.822
  430    H    GLU  54           H        GLU  54  -4.813  12.175   8.345
  431    HA   GLU  54           HA       GLU  54  -6.838  10.282   8.504
  432   1HB   GLU  54          2HB       GLU  54  -6.011  12.623  10.126
  433   2HB   GLU  54          1HB       GLU  54  -7.630  12.000  10.414
  434   1HG   GLU  54          2HG       GLU  54  -6.699   9.786  10.859
  435   2HG   GLU  54          1HG       GLU  54  -5.076  10.414  10.574
  436    H    ASN  55           H        ASN  55  -6.919  13.507   7.234
  437    HA   ASN  55           HA       ASN  55  -9.637  14.095   7.430
  438   1HB   ASN  55          2HB       ASN  55  -7.472  15.363   6.369
  439   2HB   ASN  55          1HB       ASN  55  -8.338  14.904   4.907
  440   1HD2  ASN  55          1HD2      ASN  55  -9.258  16.067   8.135
  441   2HD2  ASN  55          2HD2      ASN  55 -10.270  17.343   7.569
  442    H    ALA  56           H        ALA  56  -7.933  11.927   5.303
  443    HA   ALA  56           HA       ALA  56 -10.350  11.487   3.710
  444   1HB   ALA  56          1HB       ALA  56  -7.884  11.806   2.811
  445   2HB   ALA  56          2HB       ALA  56  -9.035  10.738   2.010
  446   3HB   ALA  56          3HB       ALA  56  -7.821  10.067   3.098
  447    H    TYR  57           H        TYR  57  -9.640  10.482   6.550
  448    HA   TYR  57           HA       TYR  57 -10.590   7.759   6.075
  449   1HB   TYR  57          2HB       TYR  57  -8.250   8.401   7.881
  450   2HB   TYR  57          1HB       TYR  57  -8.996   6.819   7.683
  451    HD1  TYR  57           1HD      TYR  57  -6.403   8.948   6.598
  452    HD2  TYR  57           2HD      TYR  57  -9.026   5.892   5.230
  453    HE1  TYR  57           1HE      TYR  57  -4.862   8.465   4.742
  454    HE2  TYR  57           2HE      TYR  57  -7.495   5.401   3.370
  455    HH   TYR  57           HH       TYR  57  -4.828   7.447   2.593
  456    H    ARG  58           H        ARG  58 -11.650  10.361   7.151
  457    HA   ARG  58           HA       ARG  58 -12.350   9.485   9.870
  458   1HB   ARG  58          2HB       ARG  58 -11.570  12.006   8.836
  459   2HB   ARG  58          1HB       ARG  58 -13.260  12.147   9.308
  460   1HG   ARG  58          2HG       ARG  58 -12.770  12.101  11.482
  461   2HG   ARG  58          1HG       ARG  58 -11.630  10.772  11.291
  462   1HD   ARG  58          2HD       ARG  58  -9.853  12.182  10.909
  463   2HD   ARG  58          1HD       ARG  58 -10.880  13.488  10.316
  464    HE   ARG  58           HE       ARG  58 -11.010  14.275  12.451
  465   1HH1  ARG  58          1HH1      ARG  58 -10.040  10.925  12.579
  466   2HH1  ARG  58          2HH1      ARG  58  -9.785  10.936  14.290
  467   1HH2  ARG  58          1HH2      ARG  58 -10.670  14.291  14.703
  468   2HH2  ARG  58          2HH2      ARG  58 -10.140  12.847  15.497
  469    H    GLN  59           H        GLN  59 -14.650  10.852  10.314
  470    HA   GLN  59           HA       GLN  59 -16.500   9.633   8.378
  471   1HB   GLN  59          2HB       GLN  59 -16.390   9.623  11.276
  472   2HB   GLN  59          1HB       GLN  59 -17.940  10.231  10.704
  473   1HG   GLN  59          2HG       GLN  59 -18.610   8.223   9.999
  474   2HG   GLN  59          1HG       GLN  59 -17.030   7.827   9.319
  475   1HE2  GLN  59          1HE2      GLN  59 -15.390   7.037  10.756
  476   2HE2  GLN  59          2HE2      GLN  59 -15.840   6.189  12.193
  477    H    ALA  60           H        ALA  60 -15.710  12.538  10.163
  478    HA   ALA  60           HA       ALA  60 -17.970  13.955   8.933
  479   1HB   ALA  60          1HB       ALA  60 -17.700  14.222  11.345
  480   2HB   ALA  60          2HB       ALA  60 -17.470  15.757  10.507
  481   3HB   ALA  60          3HB       ALA  60 -16.070  14.854  11.104
  482    H    ALA  61           H        ALA  61 -14.630  14.916   9.726
  483    HA   ALA  61           HA       ALA  61 -14.330  15.901   6.969
  484   1HB   ALA  61          1HB       ALA  61 -14.730  17.595   9.022
  485   2HB   ALA  61          2HB       ALA  61 -13.770  17.995   7.595
  486   3HB   ALA  61          3HB       ALA  61 -12.970  17.456   9.071
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  -6.036   8.138   0.749
    2   2H    MET   1          2HT       MET   1  -4.662   8.590   1.672
    3   3H    MET   1          3HT       MET   1  -5.483   7.122   2.014
    4    HA   MET   1           HA       MET   1  -3.786   7.814  -0.269
    5   1HB   MET   1          2HB       MET   1  -3.330   6.566   2.137
    6   2HB   MET   1          1HB       MET   1  -3.636   5.202   1.070
    7   1HG   MET   1          2HG       MET   1  -1.882   5.952  -0.430
    8   2HG   MET   1          1HG       MET   1  -1.596   7.361   0.591
    9   1HE   MET   1          1HE       MET   1  -0.857   7.477   2.675
   10   2HE   MET   1          2HE       MET   1   0.695   6.683   2.949
   11   3HE   MET   1          3HE       MET   1  -0.738   6.144   3.824
   12    H    TYR   2           H        TYR   2  -4.381   7.142  -2.217
   13    HA   TYR   2           HA       TYR   2  -6.692   5.443  -2.535
   14   1HB   TYR   2          2HB       TYR   2  -5.098   7.233  -4.243
   15   2HB   TYR   2          1HB       TYR   2  -5.718   5.805  -5.066
   16    HD1  TYR   2           1HD      TYR   2  -7.668   6.189  -6.222
   17    HD2  TYR   2           2HD      TYR   2  -7.046   8.235  -2.543
   18    HE1  TYR   2           1HE      TYR   2  -9.860   7.278  -6.463
   19    HE2  TYR   2           2HE      TYR   2  -9.237   9.328  -2.773
   20    HH   TYR   2           HH       TYR   2 -11.410   8.850  -3.963
   21    H    LYS   3           H        LYS   3  -6.723   3.506  -3.791
   22    HA   LYS   3           HA       LYS   3  -4.598   1.727  -3.144
   23   1HB   LYS   3          2HB       LYS   3  -6.912   0.961  -3.238
   24   2HB   LYS   3          1HB       LYS   3  -6.997   1.362  -4.947
   25   1HG   LYS   3          2HG       LYS   3  -4.825  -0.331  -4.793
   26   2HG   LYS   3          1HG       LYS   3  -5.973  -1.015  -3.641
   27   1HD   LYS   3          2HD       LYS   3  -7.669  -0.582  -5.625
   28   2HD   LYS   3          1HD       LYS   3  -6.196  -0.691  -6.589
   29   1HE   LYS   3          2HE       LYS   3  -5.731  -2.885  -5.736
   30   2HE   LYS   3          1HE       LYS   3  -7.060  -2.768  -4.583
   31   1HZ   LYS   3          1HZ       LYS   3  -7.109  -3.587  -7.307
   32   2HZ   LYS   3          2HZ       LYS   3  -8.195  -2.317  -7.046
   33   3HZ   LYS   3          3HZ       LYS   3  -8.310  -3.730  -6.123
   34    H    LYS   4           H        LYS   4  -5.484   3.555  -5.984
   35    HA   LYS   4           HA       LYS   4  -3.929   2.163  -7.878
   36   1HB   LYS   4          2HB       LYS   4  -5.739   3.878  -8.337
   37   2HB   LYS   4          1HB       LYS   4  -4.554   5.114  -7.940
   38   1HG   LYS   4          2HG       LYS   4  -3.102   4.216  -9.750
   39   2HG   LYS   4          1HG       LYS   4  -4.418   3.128 -10.197
   40   1HD   LYS   4          2HD       LYS   4  -4.984   4.812 -11.589
   41   2HD   LYS   4          1HD       LYS   4  -5.733   5.486 -10.141
   42   1HE   LYS   4          2HE       LYS   4  -2.881   6.101 -10.436
   43   2HE   LYS   4          1HE       LYS   4  -3.906   6.771 -11.704
   44   1HZ   LYS   4          1HZ       LYS   4  -3.479   7.973  -9.375
   45   2HZ   LYS   4          2HZ       LYS   4  -4.874   7.098  -8.985
   46   3HZ   LYS   4          3HZ       LYS   4  -4.893   8.185 -10.281
   47    H    ASP   5           H        ASP   5  -3.171   4.775  -5.645
   48    HA   ASP   5           HA       ASP   5  -0.607   5.362  -6.713
   49   1HB   ASP   5          2HB       ASP   5  -2.220   6.596  -4.921
   50   2HB   ASP   5          1HB       ASP   5  -1.057   5.849  -3.829
   51    H    VAL   6           H        VAL   6  -1.643   3.443  -3.896
   52    HA   VAL   6           HA       VAL   6   0.845   2.642  -3.000
   53    HB   VAL   6           HB       VAL   6  -1.530   0.806  -2.919
   54   1HG1  VAL   6          1HG1      VAL   6  -0.546  -0.099  -1.088
   55   2HG1  VAL   6          2HG1      VAL   6   0.200   1.423  -0.605
   56   3HG1  VAL   6          3HG1      VAL   6   0.895   0.479  -1.920
   57   1HG2  VAL   6          1HG2      VAL   6  -1.383   3.535  -1.903
   58   2HG2  VAL   6          2HG2      VAL   6  -1.742   2.350  -0.647
   59   3HG2  VAL   6          3HG2      VAL   6  -2.773   2.464  -2.072
   60    H    ILE   7           H        ILE   7  -1.325   0.993  -5.291
   61    HA   ILE   7           HA       ILE   7   0.330  -1.221  -5.782
   62    HB   ILE   7           HB       ILE   7  -1.786   0.064  -7.511
   63   1HG1  ILE   7          2HG1      ILE   7  -1.791  -2.376  -5.721
   64   2HG1  ILE   7          1HG1      ILE   7  -2.619  -0.853  -5.413
   65   1HG2  ILE   7          1HG2      ILE   7  -0.352  -2.559  -7.897
   66   2HG2  ILE   7          2HG2      ILE   7  -0.294  -1.153  -8.960
   67   3HG2  ILE   7          3HG2      ILE   7  -1.796  -2.060  -8.778
   68   1HD1  ILE   7          1HD1      ILE   7  -4.397  -1.564  -6.511
   69   2HD1  ILE   7          2HD1      ILE   7  -3.606  -3.127  -6.725
   70   3HD1  ILE   7          3HD1      ILE   7  -3.430  -1.872  -7.954
   71    H    ASP   8           H        ASP   8   0.359   2.022  -7.057
   72    HA   ASP   8           HA       ASP   8   2.064   1.433  -9.284
   73   1HB   ASP   8          2HB       ASP   8   0.519   3.632  -8.431
   74   2HB   ASP   8          1HB       ASP   8   2.186   4.198  -8.470
   75    H    HIS   9           H        HIS   9   2.491   2.170  -5.933
   76    HA   HIS   9           HA       HIS   9   5.270   2.894  -6.228
   77   1HB   HIS   9          2HB       HIS   9   4.117   4.027  -4.475
   78   2HB   HIS   9          1HB       HIS   9   3.469   2.523  -3.837
   79    HD1  HIS   9           1HD      HIS   9   6.262   4.843  -3.485
   80    HD2  HIS   9           2HD      HIS   9   5.495   0.868  -2.550
   81    HE1  HIS   9           1HE      HIS   9   8.028   4.192  -1.818
   82    HE2  HIS   9           2HE      HIS   9   7.599   1.756  -1.337
   83    H    PHE  10           H        PHE  10   3.352   0.114  -5.329
   84    HA   PHE  10           HA       PHE  10   5.685  -1.432  -4.552
   85   1HB   PHE  10          2HB       PHE  10   2.729  -1.870  -4.497
   86   2HB   PHE  10          1HB       PHE  10   3.805  -3.262  -4.420
   87    HD1  PHE  10           1HD      PHE  10   2.532  -0.350  -2.666
   88    HD2  PHE  10           2HD      PHE  10   5.321  -3.552  -2.538
   89    HE1  PHE  10           1HE      PHE  10   2.838   0.025  -0.253
   90    HE2  PHE  10           2HE      PHE  10   5.637  -3.191  -0.122
   91    HZ   PHE  10           HZ       PHE  10   4.392  -1.400   1.023
   92    H    GLY  11           H        GLY  11   3.272  -1.364  -7.145
   93   1HA   GLY  11          2HA       GLY  11   3.762  -1.923  -9.396
   94   2HA   GLY  11          1HA       GLY  11   5.143  -2.856  -8.837
   95    H    THR  12           H        THR  12   3.526  -4.175  -6.745
   96    HA   THR  12           HA       THR  12   1.600  -5.739  -8.266
   97    HB   THR  12           HB       THR  12   2.824  -7.823  -7.165
   98    HG1  THR  12           1HG      THR  12   4.464  -6.348  -6.288
   99   1HG2  THR  12          1HG2      THR  12   3.019  -8.362  -9.295
  100   2HG2  THR  12          2HG2      THR  12   4.454  -7.344  -9.408
  101   3HG2  THR  12          3HG2      THR  12   2.865  -6.669  -9.763
  102    H    GLN  13           H        GLN  13  -0.046  -6.485  -7.028
  103    HA   GLN  13           HA       GLN  13  -0.590  -5.416  -4.551
  104   1HB   GLN  13          2HB       GLN  13  -2.295  -7.240  -4.330
  105   2HB   GLN  13          1HB       GLN  13  -2.363  -6.354  -5.847
  106   1HG   GLN  13          2HG       GLN  13  -1.012  -8.210  -6.867
  107   2HG   GLN  13          1HG       GLN  13  -1.261  -9.108  -5.370
  108   1HE2  GLN  13          1HE2      GLN  13  -3.326  -7.094  -7.441
  109   2HE2  GLN  13          2HE2      GLN  13  -4.582  -8.266  -7.621
  110    H    ARG  14           H        ARG  14   0.681  -8.667  -5.242
  111    HA   ARG  14           HA       ARG  14   0.814  -9.748  -2.744
  112   1HB   ARG  14          2HB       ARG  14   1.685 -10.562  -5.123
  113   2HB   ARG  14          1HB       ARG  14   3.232 -10.070  -4.449
  114   1HG   ARG  14          2HG       ARG  14   2.132 -11.546  -2.414
  115   2HG   ARG  14          1HG       ARG  14   1.588 -12.398  -3.859
  116   1HD   ARG  14          2HD       ARG  14   3.654 -13.371  -3.267
  117   2HD   ARG  14          1HD       ARG  14   3.987 -12.332  -4.649
  118    HE   ARG  14           HE       ARG  14   4.769 -11.842  -1.868
  119   1HH1  ARG  14          1HH1      ARG  14   4.868 -10.871  -5.228
  120   2HH1  ARG  14          2HH1      ARG  14   6.174  -9.763  -4.992
  121   1HH2  ARG  14          1HH2      ARG  14   6.485 -10.383  -1.568
  122   2HH2  ARG  14          2HH2      ARG  14   7.091  -9.485  -2.920
  123    H    ALA  15           H        ALA  15   3.115  -7.461  -4.166
  124    HA   ALA  15           HA       ALA  15   5.029  -7.494  -2.132
  125   1HB   ALA  15          1HB       ALA  15   4.286  -5.080  -3.771
  126   2HB   ALA  15          2HB       ALA  15   5.254  -6.420  -4.387
  127   3HB   ALA  15          3HB       ALA  15   5.848  -5.452  -3.038
  128    H    VAL  16           H        VAL  16   2.214  -5.358  -2.550
  129    HA   VAL  16           HA       VAL  16   2.581  -3.796  -0.275
  130    HB   VAL  16           HB       VAL  16  -0.215  -4.457  -1.033
  131   1HG1  VAL  16          1HG1      VAL  16   0.606  -2.659   0.579
  132   2HG1  VAL  16          2HG1      VAL  16  -0.585  -2.185  -0.634
  133   3HG1  VAL  16          3HG1      VAL  16   1.117  -1.782  -0.862
  134   1HG2  VAL  16          1HG2      VAL  16   0.095  -2.808  -3.000
  135   2HG2  VAL  16          2HG2      VAL  16   0.550  -4.496  -3.232
  136   3HG2  VAL  16          3HG2      VAL  16   1.791  -3.283  -2.927
  137    H    ALA  17           H        ALA  17   0.637  -6.747  -0.698
  138    HA   ALA  17           HA       ALA  17  -0.332  -6.910   1.923
  139   1HB   ALA  17          1HB       ALA  17  -1.485  -8.398   0.694
  140   2HB   ALA  17          2HB       ALA  17  -0.214  -9.516   1.189
  141   3HB   ALA  17          3HB       ALA  17  -0.124  -8.720  -0.382
  142    H    LYS  18           H        LYS  18   2.729  -7.852   0.529
  143    HA   LYS  18           HA       LYS  18   3.577  -9.450   2.746
  144   1HB   LYS  18          2HB       LYS  18   4.805  -8.419   0.245
  145   2HB   LYS  18          1HB       LYS  18   5.898  -8.850   1.552
  146   1HG   LYS  18          2HG       LYS  18   3.852 -10.863   1.030
  147   2HG   LYS  18          1HG       LYS  18   4.925 -10.563  -0.338
  148   1HD   LYS  18          2HD       LYS  18   6.847 -10.811   1.304
  149   2HD   LYS  18          1HD       LYS  18   5.657 -11.437   2.448
  150   1HE   LYS  18          2HE       LYS  18   5.454 -13.403   1.359
  151   2HE   LYS  18          1HE       LYS  18   5.594 -12.653  -0.231
  152   1HZ   LYS  18          1HZ       LYS  18   7.657 -13.765   1.481
  153   2HZ   LYS  18          2HZ       LYS  18   8.069 -12.333   0.683
  154   3HZ   LYS  18          3HZ       LYS  18   7.577 -13.684  -0.208
  155    H    ALA  19           H        ALA  19   3.903  -6.084   1.807
  156    HA   ALA  19           HA       ALA  19   5.843  -5.415   3.790
  157   1HB   ALA  19          1HB       ALA  19   5.653  -4.062   1.807
  158   2HB   ALA  19          2HB       ALA  19   5.268  -3.074   3.218
  159   3HB   ALA  19          3HB       ALA  19   3.973  -3.679   2.184
  160    H    LEU  20           H        LEU  20   2.317  -5.176   3.592
  161    HA   LEU  20           HA       LEU  20   2.118  -3.975   6.211
  162   1HB   LEU  20          2HB       LEU  20  -0.024  -5.052   4.377
  163   2HB   LEU  20          1HB       LEU  20  -0.312  -4.140   5.847
  164    HG   LEU  20           HG       LEU  20   1.218  -3.028   3.500
  165   1HD1  LEU  20          1HD1      LEU  20  -0.672  -2.331   2.495
  166   2HD1  LEU  20          2HD1      LEU  20  -1.526  -2.097   4.020
  167   3HD1  LEU  20          3HD1      LEU  20  -1.382  -3.713   3.329
  168   1HD2  LEU  20          1HD2      LEU  20   1.243  -1.038   4.607
  169   2HD2  LEU  20          2HD2      LEU  20   1.271  -2.128   5.991
  170   3HD2  LEU  20          3HD2      LEU  20  -0.245  -1.380   5.489
  171    H    GLY  21           H        GLY  21   1.846  -7.155   4.791
  172   1HA   GLY  21          2HA       GLY  21   2.296  -9.081   6.175
  173   2HA   GLY  21          1HA       GLY  21   1.508  -8.251   7.506
  174    H    ILE  22           H        ILE  22  -0.466  -7.521   5.078
  175    HA   ILE  22           HA       ILE  22  -2.372  -9.551   5.811
  176    HB   ILE  22           HB       ILE  22  -3.909  -8.353   4.289
  177   1HG1  ILE  22          2HG1      ILE  22  -1.619  -6.424   3.867
  178   2HG1  ILE  22          1HG1      ILE  22  -2.108  -7.635   2.685
  179   1HG2  ILE  22          1HG2      ILE  22  -2.400  -6.622   6.241
  180   2HG2  ILE  22          2HG2      ILE  22  -3.773  -7.667   6.600
  181   3HG2  ILE  22          3HG2      ILE  22  -3.989  -6.248   5.576
  182   1HD1  ILE  22          1HD1      ILE  22  -4.127  -6.564   2.252
  183   2HD1  ILE  22          2HD1      ILE  22  -2.965  -5.246   2.402
  184   3HD1  ILE  22          3HD1      ILE  22  -4.051  -5.618   3.739
  185    H    SER  23           H        SER  23  -3.804 -10.269   3.762
  186    HA   SER  23           HA       SER  23  -2.022 -11.949   2.212
  187   1HB   SER  23          2HB       SER  23  -5.011 -11.894   1.894
  188   2HB   SER  23          1HB       SER  23  -3.900 -13.249   1.694
  189    HG   SER  23           HG       SER  23  -4.777 -12.038   4.094
  190    H    ASP  24           H        ASP  24  -2.096 -12.114  -0.088
  191    HA   ASP  24           HA       ASP  24  -1.961  -9.660  -1.428
  192   1HB   ASP  24          2HB       ASP  24  -1.967 -11.110  -3.519
  193   2HB   ASP  24          1HB       ASP  24  -0.718 -11.469  -2.329
  194    H    ALA  25           H        ALA  25  -4.593 -11.912  -0.985
  195    HA   ALA  25           HA       ALA  25  -6.302 -10.929  -3.009
  196   1HB   ALA  25          1HB       ALA  25  -7.815 -12.426  -2.235
  197   2HB   ALA  25          2HB       ALA  25  -7.524 -12.017  -0.544
  198   3HB   ALA  25          3HB       ALA  25  -6.398 -13.067  -1.404
  199    H    ALA  26           H        ALA  26  -5.853 -10.057   0.385
  200    HA   ALA  26           HA       ALA  26  -8.033  -8.331   0.670
  201   1HB   ALA  26          1HB       ALA  26  -7.106  -8.710   2.702
  202   2HB   ALA  26          2HB       ALA  26  -6.281  -7.193   2.340
  203   3HB   ALA  26          3HB       ALA  26  -5.459  -8.731   2.070
  204    H    VAL  27           H        VAL  27  -4.899  -7.859  -0.799
  205    HA   VAL  27           HA       VAL  27  -4.991  -5.024  -0.940
  206    HB   VAL  27           HB       VAL  27  -3.473  -6.935  -2.724
  207   1HG1  VAL  27          1HG1      VAL  27  -1.979  -5.038  -3.113
  208   2HG1  VAL  27          2HG1      VAL  27  -3.019  -4.013  -2.123
  209   3HG1  VAL  27          3HG1      VAL  27  -3.623  -4.679  -3.640
  210   1HG2  VAL  27          1HG2      VAL  27  -2.763  -7.442  -0.551
  211   2HG2  VAL  27          2HG2      VAL  27  -2.842  -5.757  -0.035
  212   3HG2  VAL  27          3HG2      VAL  27  -1.571  -6.283  -1.138
  213    H    SER  28           H        SER  28  -5.904  -7.609  -3.186
  214    HA   SER  28           HA       SER  28  -6.630  -5.856  -5.307
  215   1HB   SER  28          2HB       SER  28  -8.012  -8.084  -5.913
  216   2HB   SER  28          1HB       SER  28  -6.275  -7.938  -6.182
  217    HG   SER  28           HG       SER  28  -6.678  -9.840  -5.072
  218    H    GLN  29           H        GLN  29  -8.283  -7.116  -2.514
  219    HA   GLN  29           HA       GLN  29 -10.920  -6.506  -3.419
  220   1HB   GLN  29          2HB       GLN  29 -10.280  -8.199  -1.631
  221   2HB   GLN  29          1HB       GLN  29 -10.050  -6.828  -0.552
  222   1HG   GLN  29          2HG       GLN  29 -12.340  -6.235  -0.687
  223   2HG   GLN  29          1HG       GLN  29 -12.620  -7.376  -2.001
  224   1HE2  GLN  29          1HE2      GLN  29 -12.200  -9.683  -1.460
  225   2HE2  GLN  29          2HE2      GLN  29 -12.660 -10.234   0.110
  226    H    TRP  30           H        TRP  30  -8.367  -4.611  -2.230
  227    HA   TRP  30           HA       TRP  30  -9.587  -2.657  -0.708
  228   1HB   TRP  30          2HB       TRP  30  -7.262  -2.621  -2.600
  229   2HB   TRP  30          1HB       TRP  30  -7.820  -1.116  -1.877
  230    HD1  TRP  30           HD       TRP  30  -8.505  -3.132   0.882
  231    HE1  TRP  30           1HE      TRP  30  -6.518  -3.405   2.493
  232    HE3  TRP  30           3HE      TRP  30  -4.726  -1.657  -2.231
  233    HZ2  TRP  30           2HZ      TRP  30  -3.717  -3.045   2.451
  234    HZ3  TRP  30           3HZ      TRP  30  -2.422  -1.648  -1.368
  235    HH2  TRP  30           HH       TRP  30  -1.931  -2.328   0.927
  236    H    LYS  31           H        LYS  31  -9.950  -0.332  -1.438
  237    HA   LYS  31           HA       LYS  31 -11.390  -0.273  -4.003
  238   1HB   LYS  31          2HB       LYS  31 -13.170   1.014  -3.007
  239   2HB   LYS  31          1HB       LYS  31 -12.950  -0.457  -2.072
  240   1HG   LYS  31          2HG       LYS  31 -11.300   1.521  -0.913
  241   2HG   LYS  31          1HG       LYS  31 -12.880   2.247  -1.195
  242   1HD   LYS  31          2HD       LYS  31 -13.340   1.310   0.815
  243   2HD   LYS  31          1HD       LYS  31 -13.650  -0.116  -0.178
  244   1HE   LYS  31          2HE       LYS  31 -10.840   0.234   0.585
  245   2HE   LYS  31          1HE       LYS  31 -11.930  -0.011   1.948
  246   1HZ   LYS  31          1HZ       LYS  31 -11.150  -2.122   1.204
  247   2HZ   LYS  31          2HZ       LYS  31 -11.580  -1.795  -0.398
  248   3HZ   LYS  31          3HZ       LYS  31 -12.790  -2.000   0.774
  249    H    GLU  32           H        GLU  32 -12.170   2.411  -3.895
  250    HA   GLU  32           HA       GLU  32 -10.040   3.749  -4.987
  251   1HB   GLU  32          2HB       GLU  32 -12.650   4.538  -3.855
  252   2HB   GLU  32          1HB       GLU  32 -11.450   5.825  -3.936
  253   1HG   GLU  32          2HG       GLU  32 -11.200   5.522  -6.303
  254   2HG   GLU  32          1HG       GLU  32 -12.250   4.106  -6.270
  255    H    VAL  33           H        VAL  33 -10.810   3.313  -1.621
  256    HA   VAL  33           HA       VAL  33  -8.316   4.699  -0.922
  257    HB   VAL  33           HB       VAL  33 -10.840   4.941   0.710
  258   1HG1  VAL  33          1HG1      VAL  33  -9.650   6.075   2.252
  259   2HG1  VAL  33          2HG1      VAL  33  -8.598   6.818   1.046
  260   3HG1  VAL  33          3HG1      VAL  33  -8.303   5.160   1.573
  261   1HG2  VAL  33          1HG2      VAL  33  -9.782   6.581  -1.508
  262   2HG2  VAL  33          2HG2      VAL  33 -10.380   7.452  -0.096
  263   3HG2  VAL  33          3HG2      VAL  33 -11.440   6.343  -0.965
  264    H    ILE  34           H        ILE  34  -7.007   3.322   0.067
  265    HA   ILE  34           HA       ILE  34  -7.769   0.762   0.931
  266    HB   ILE  34           HB       ILE  34  -5.530   0.648   1.996
  267   1HG1  ILE  34          2HG1      ILE  34  -5.283   3.509   1.037
  268   2HG1  ILE  34          1HG1      ILE  34  -5.395   3.004   2.721
  269   1HG2  ILE  34          1HG2      ILE  34  -5.533   1.804  -0.789
  270   2HG2  ILE  34          2HG2      ILE  34  -5.852   0.120  -0.374
  271   3HG2  ILE  34          3HG2      ILE  34  -4.260   0.816  -0.070
  272   1HD1  ILE  34          1HD1      ILE  34  -3.192   2.182   0.849
  273   2HD1  ILE  34          2HD1      ILE  34  -3.283   1.890   2.586
  274   3HD1  ILE  34          3HD1      ILE  34  -3.099   3.535   1.976
  275    HA   PRO  35           HA       PRO  35  -9.338   0.990   5.025
  276   1HB   PRO  35          2HB       PRO  35  -7.023  -0.677   5.896
  277   2HB   PRO  35          1HB       PRO  35  -8.751  -0.921   6.171
  278   1HG   PRO  35          2HG       PRO  35  -7.459  -2.367   4.351
  279   2HG   PRO  35          1HG       PRO  35  -9.104  -1.778   4.043
  280   1HD   PRO  35          2HD       PRO  35  -6.502  -0.790   2.967
  281   2HD   PRO  35          1HD       PRO  35  -8.092  -0.872   2.182
  282    H    GLU  36           H        GLU  36  -8.980   1.898   7.098
  283    HA   GLU  36           HA       GLU  36  -7.279   4.113   7.165
  284   1HB   GLU  36          2HB       GLU  36  -9.415   3.413   8.588
  285   2HB   GLU  36          1HB       GLU  36  -8.183   2.894   9.728
  286   1HG   GLU  36          2HG       GLU  36  -7.793   5.582   8.626
  287   2HG   GLU  36          1HG       GLU  36  -9.232   5.381   9.623
  288    H    LYS  37           H        LYS  37  -6.980   0.985   8.836
  289    HA   LYS  37           HA       LYS  37  -4.435   1.641   9.964
  290   1HB   LYS  37          2HB       LYS  37  -5.801  -1.041   9.695
  291   2HB   LYS  37          1HB       LYS  37  -4.397  -0.704  10.698
  292   1HG   LYS  37          2HG       LYS  37  -6.425   1.161  11.377
  293   2HG   LYS  37          1HG       LYS  37  -7.143  -0.452  11.349
  294   1HD   LYS  37          2HD       LYS  37  -6.339  -0.607  13.442
  295   2HD   LYS  37          1HD       LYS  37  -4.797  -0.926  12.645
  296   1HE   LYS  37          2HE       LYS  37  -5.802   1.749  13.613
  297   2HE   LYS  37          1HE       LYS  37  -4.529   0.779  14.353
  298   1HZ   LYS  37          1HZ       LYS  37  -3.258   2.160  13.115
  299   2HZ   LYS  37          2HZ       LYS  37  -4.449   2.423  11.945
  300   3HZ   LYS  37          3HZ       LYS  37  -3.545   0.993  11.923
  301    H    ASP  38           H        ASP  38  -5.417   0.526   6.895
  302    HA   ASP  38           HA       ASP  38  -3.002  -0.925   6.301
  303   1HB   ASP  38          2HB       ASP  38  -5.457  -0.150   4.792
  304   2HB   ASP  38          1HB       ASP  38  -4.013  -0.555   3.870
  305    H    ALA  39           H        ALA  39  -4.370   2.222   5.370
  306    HA   ALA  39           HA       ALA  39  -2.181   3.045   3.791
  307   1HB   ALA  39          1HB       ALA  39  -3.411   4.878   3.416
  308   2HB   ALA  39          2HB       ALA  39  -3.628   5.199   5.137
  309   3HB   ALA  39          3HB       ALA  39  -4.673   4.038   4.317
  310    H    TYR  40           H        TYR  40  -2.686   2.960   7.212
  311    HA   TYR  40           HA       TYR  40  -0.828   4.946   7.975
  312   1HB   TYR  40          2HB       TYR  40  -2.503   4.120   9.534
  313   2HB   TYR  40          1HB       TYR  40  -1.811   2.498   9.460
  314    HD1  TYR  40           1HD      TYR  40  -0.420   1.859  11.178
  315    HD2  TYR  40           2HD      TYR  40  -0.742   5.997  10.242
  316    HE1  TYR  40           1HE      TYR  40   1.056   2.397  13.071
  317    HE2  TYR  40           2HE      TYR  40   0.732   6.547  12.131
  318    HH   TYR  40           HH       TYR  40   1.349   5.396  14.380
  319    H    ARG  41           H        ARG  41  -0.445   1.432   8.416
  320    HA   ARG  41           HA       ARG  41   2.323   1.493   8.763
  321   1HB   ARG  41          2HB       ARG  41   0.704  -0.799   7.642
  322   2HB   ARG  41          1HB       ARG  41   2.273  -0.908   8.431
  323   1HG   ARG  41          2HG       ARG  41   1.397  -0.740  10.505
  324   2HG   ARG  41          1HG       ARG  41   0.108   0.349   9.993
  325   1HD   ARG  41          2HD       ARG  41  -0.994  -1.636  10.567
  326   2HD   ARG  41          1HD       ARG  41  -0.897  -1.675   8.808
  327    HE   ARG  41           HE       ARG  41   0.478  -3.503   8.953
  328   1HH1  ARG  41          1HH1      ARG  41   0.227  -2.014  12.099
  329   2HH1  ARG  41          2HH1      ARG  41   1.036  -3.310  12.915
  330   1HH2  ARG  41          1HH2      ARG  41   1.541  -5.208  10.025
  331   2HH2  ARG  41          2HH2      ARG  41   1.783  -5.123  11.738
  332    H    LEU  42           H        LEU  42   0.400   1.481   5.863
  333    HA   LEU  42           HA       LEU  42   2.281   0.563   4.017
  334   1HB   LEU  42          2HB       LEU  42  -0.198   2.149   3.922
  335   2HB   LEU  42          1HB       LEU  42   0.891   2.398   2.571
  336    HG   LEU  42           HG       LEU  42  -0.276  -0.245   3.442
  337   1HD1  LEU  42          1HD1      LEU  42  -1.173   1.832   1.635
  338   2HD1  LEU  42          2HD1      LEU  42  -2.023   0.409   2.234
  339   3HD1  LEU  42          3HD1      LEU  42  -0.979   0.282   0.818
  340   1HD2  LEU  42          1HD2      LEU  42   0.830  -0.469   0.892
  341   2HD2  LEU  42          2HD2      LEU  42   1.441  -1.180   2.383
  342   3HD2  LEU  42          3HD2      LEU  42   2.041   0.388   1.844
  343    H    GLU  43           H        GLU  43   1.857   3.728   5.473
  344    HA   GLU  43           HA       GLU  43   3.648   5.097   3.734
  345   1HB   GLU  43          2HB       GLU  43   1.863   6.170   5.155
  346   2HB   GLU  43          1HB       GLU  43   2.892   5.879   6.550
  347   1HG   GLU  43          2HG       GLU  43   4.647   7.147   4.994
  348   2HG   GLU  43          1HG       GLU  43   3.158   7.853   4.371
  349    H    ILE  44           H        ILE  44   4.022   3.228   6.650
  350    HA   ILE  44           HA       ILE  44   6.699   4.130   7.191
  351    HB   ILE  44           HB       ILE  44   5.325   1.670   8.270
  352   1HG1  ILE  44          2HG1      ILE  44   5.070   4.564   8.936
  353   2HG1  ILE  44          1HG1      ILE  44   3.861   3.289   8.998
  354   1HG2  ILE  44          1HG2      ILE  44   7.758   1.732   8.564
  355   2HG2  ILE  44          2HG2      ILE  44   6.912   1.877  10.104
  356   3HG2  ILE  44          3HG2      ILE  44   7.620   3.304   9.349
  357   1HD1  ILE  44          1HD1      ILE  44   4.375   4.117  11.214
  358   2HD1  ILE  44          2HD1      ILE  44   6.078   3.727  10.980
  359   3HD1  ILE  44          3HD1      ILE  44   4.879   2.436  11.048
  360    H    VAL  45           H        VAL  45   5.237   1.195   5.824
  361    HA   VAL  45           HA       VAL  45   7.560  -0.298   5.452
  362    HB   VAL  45           HB       VAL  45   6.310  -1.408   3.572
  363   1HG1  VAL  45          1HG1      VAL  45   6.110  -2.383   5.708
  364   2HG1  VAL  45          2HG1      VAL  45   4.462  -2.244   5.098
  365   3HG1  VAL  45          3HG1      VAL  45   5.062  -1.088   6.288
  366   1HG2  VAL  45          1HG2      VAL  45   5.022   0.487   2.793
  367   2HG2  VAL  45          2HG2      VAL  45   4.186   0.586   4.341
  368   3HG2  VAL  45          3HG2      VAL  45   3.937  -0.810   3.293
  369    H    THR  46           H        THR  46   6.053   2.116   3.362
  370    HA   THR  46           HA       THR  46   8.011   1.780   1.281
  371    HB   THR  46           HB       THR  46   6.791   3.680   0.235
  372    HG1  THR  46           1HG      THR  46   5.830   4.896   1.654
  373   1HG2  THR  46          1HG2      THR  46   6.024   1.229   0.103
  374   2HG2  THR  46          2HG2      THR  46   4.904   2.501  -0.387
  375   3HG2  THR  46          3HG2      THR  46   4.738   1.741   1.195
  376    H    ALA  47           H        ALA  47   9.061   2.582   3.888
  377    HA   ALA  47           HA       ALA  47  10.435   4.119   4.872
  378   1HB   ALA  47          1HB       ALA  47  11.173   4.036   1.999
  379   2HB   ALA  47          2HB       ALA  47  12.105   3.575   3.425
  380   3HB   ALA  47          3HB       ALA  47  11.918   5.279   3.006
  381    H    GLY  48           H        GLY  48   7.818   5.129   4.449
  382   1HA   GLY  48          2HA       GLY  48   6.712   7.133   4.658
  383   2HA   GLY  48          1HA       GLY  48   8.284   7.893   4.845
  384    H    ALA  49           H        ALA  49   7.663   6.035   1.990
  385    HA   ALA  49           HA       ALA  49   8.270   8.142   0.248
  386   1HB   ALA  49          1HB       ALA  49   6.756   5.604  -0.356
  387   2HB   ALA  49          2HB       ALA  49   8.510   5.784  -0.362
  388   3HB   ALA  49          3HB       ALA  49   7.529   6.658  -1.539
  389    H    LEU  50           H        LEU  50   5.224   6.990   1.539
  390    HA   LEU  50           HA       LEU  50   3.786   9.015  -0.032
  391   1HB   LEU  50          2HB       LEU  50   3.050   6.379   1.105
  392   2HB   LEU  50          1HB       LEU  50   1.805   7.613   1.123
  393    HG   LEU  50           HG       LEU  50   3.207   7.248  -1.453
  394   1HD1  LEU  50          1HD1      LEU  50   1.789   5.056  -0.074
  395   2HD1  LEU  50          2HD1      LEU  50   3.034   4.999  -1.322
  396   3HD1  LEU  50          3HD1      LEU  50   1.359   5.333  -1.762
  397   1HD2  LEU  50          1HD2      LEU  50   1.290   8.080  -2.306
  398   2HD2  LEU  50          2HD2      LEU  50   1.057   8.652  -0.655
  399   3HD2  LEU  50          3HD2      LEU  50   0.270   7.169  -1.193
  400    H    LYS  51           H        LYS  51   1.637   9.598   1.378
  401    HA   LYS  51           HA       LYS  51   2.492  10.328   4.086
  402   1HB   LYS  51          2HB       LYS  51   1.549  12.620   3.730
  403   2HB   LYS  51          1HB       LYS  51   3.013  12.288   2.815
  404   1HG   LYS  51          2HG       LYS  51   1.990  12.574   0.855
  405   2HG   LYS  51          1HG       LYS  51   0.572  11.649   1.355
  406   1HD   LYS  51          2HD       LYS  51  -0.272  13.795   1.026
  407   2HD   LYS  51          1HD       LYS  51  -0.010  13.724   2.770
  408   1HE   LYS  51          2HE       LYS  51   2.405  14.630   1.852
  409   2HE   LYS  51          1HE       LYS  51   1.271  15.394   0.739
  410   1HZ   LYS  51          1HZ       LYS  51   0.047  15.889   3.019
  411   2HZ   LYS  51          2HZ       LYS  51   1.230  16.921   2.386
  412   3HZ   LYS  51          3HZ       LYS  51   1.635  15.815   3.600
  413    H    TYR  52           H        TYR  52   1.009   9.643   5.467
  414    HA   TYR  52           HA       TYR  52  -1.514   8.667   4.732
  415   1HB   TYR  52          2HB       TYR  52  -0.171   8.132   6.833
  416   2HB   TYR  52          1HB       TYR  52  -0.799   9.636   7.498
  417    HD1  TYR  52           1HD      TYR  52  -3.183   9.865   8.022
  418    HD2  TYR  52           2HD      TYR  52  -1.582   6.196   6.581
  419    HE1  TYR  52           1HE      TYR  52  -5.217   8.696   8.756
  420    HE2  TYR  52           2HE      TYR  52  -3.614   5.017   7.309
  421    HH   TYR  52           HH       TYR  52  -5.434   5.276   8.860
  422    H    GLN  53           H        GLN  53  -3.588   9.491   4.949
  423    HA   GLN  53           HA       GLN  53  -3.808  12.362   5.539
  424   1HB   GLN  53          2HB       GLN  53  -5.259  10.983   3.276
  425   2HB   GLN  53          1HB       GLN  53  -5.278  12.700   3.657
  426   1HG   GLN  53          2HG       GLN  53  -3.030  12.971   2.975
  427   2HG   GLN  53          1HG       GLN  53  -2.775  11.228   2.890
  428   1HE2  GLN  53          1HE2      GLN  53  -2.057  11.486   0.739
  429   2HE2  GLN  53          2HE2      GLN  53  -3.177  11.716  -0.555
  430    H    GLU  54           H        GLU  54  -4.667  11.886   7.572
  431    HA   GLU  54           HA       GLU  54  -6.737  10.091   8.110
  432   1HB   GLU  54          2HB       GLU  54  -7.105  11.430  10.163
  433   2HB   GLU  54          1HB       GLU  54  -5.412  11.037   9.894
  434   1HG   GLU  54          2HG       GLU  54  -4.999  13.268   9.047
  435   2HG   GLU  54          1HG       GLU  54  -6.707  13.670   9.226
  436    H    ASN  55           H        ASN  55  -6.813  13.140   6.531
  437    HA   ASN  55           HA       ASN  55  -9.325  14.121   7.105
  438   1HB   ASN  55          2HB       ASN  55  -7.329  14.717   5.281
  439   2HB   ASN  55          1HB       ASN  55  -8.700  14.305   4.258
  440   1HD2  ASN  55          1HD2      ASN  55  -8.848  16.450   3.559
  441   2HD2  ASN  55          2HD2      ASN  55  -9.518  17.686   4.562
  442    H    ALA  56           H        ALA  56  -8.464  11.742   4.599
  443    HA   ALA  56           HA       ALA  56 -11.250  11.292   3.976
  444   1HB   ALA  56          1HB       ALA  56 -10.100   9.451   2.491
  445   2HB   ALA  56          2HB       ALA  56  -8.663  10.406   2.823
  446   3HB   ALA  56          3HB       ALA  56 -10.050  11.155   2.037
  447    H    TYR  57           H        TYR  57  -9.515  10.364   6.513
  448    HA   TYR  57           HA       TYR  57 -10.650   7.649   6.581
  449   1HB   TYR  57          2HB       TYR  57  -8.220   8.739   8.003
  450   2HB   TYR  57          1HB       TYR  57  -8.890   7.131   8.255
  451    HD1  TYR  57           1HD      TYR  57  -9.369   5.943   5.795
  452    HD2  TYR  57           2HD      TYR  57  -6.311   8.750   6.725
  453    HE1  TYR  57           1HE      TYR  57  -8.024   5.089   3.923
  454    HE2  TYR  57           2HE      TYR  57  -4.956   7.903   4.856
  455    HH   TYR  57           HH       TYR  57  -5.852   5.041   3.080
  456    H    ARG  58           H        ARG  58 -10.700  10.759   7.998
  457    HA   ARG  58           HA       ARG  58 -11.660   9.929  10.580
  458   1HB   ARG  58          2HB       ARG  58 -12.160  12.404  10.829
  459   2HB   ARG  58          1HB       ARG  58 -10.470  11.978  10.562
  460   1HG   ARG  58          2HG       ARG  58 -10.370  13.131   8.661
  461   2HG   ARG  58          1HG       ARG  58 -11.910  12.482   8.084
  462   1HD   ARG  58          2HD       ARG  58 -13.070  14.085   9.588
  463   2HD   ARG  58          1HD       ARG  58 -11.510  14.788   9.986
  464    HE   ARG  58           HE       ARG  58 -11.590  14.905   7.278
  465   1HH1  ARG  58          1HH1      ARG  58 -13.740  15.989   9.802
  466   2HH1  ARG  58          2HH1      ARG  58 -14.350  17.325   8.883
  467   1HH2  ARG  58          1HH2      ARG  58 -12.390  16.661   6.068
  468   2HH2  ARG  58          2HH2      ARG  58 -13.580  17.707   6.762
  469    H    GLN  59           H        GLN  59 -13.600   9.042  10.775
  470    HA   GLN  59           HA       GLN  59 -15.900  10.431   9.627
  471   1HB   GLN  59          2HB       GLN  59 -15.020   8.447   8.153
  472   2HB   GLN  59          1HB       GLN  59 -15.810   7.449   9.370
  473   1HG   GLN  59          2HG       GLN  59 -17.720   9.331   8.763
  474   2HG   GLN  59          1HG       GLN  59 -16.960   9.000   7.209
  475   1HE2  GLN  59          1HE2      GLN  59 -16.440   6.466   7.104
  476   2HE2  GLN  59          2HE2      GLN  59 -17.830   5.479   7.367
  477    H    ALA  60           H        ALA  60 -17.540  10.552  11.023
  478    HA   ALA  60           HA       ALA  60 -17.710   8.589  13.202
  479   1HB   ALA  60          1HB       ALA  60 -18.340  11.369  13.949
  480   2HB   ALA  60          2HB       ALA  60 -16.640  11.014  13.674
  481   3HB   ALA  60          3HB       ALA  60 -17.550  10.095  14.874
  482    H    ALA  61           H        ALA  61 -19.470   7.673  12.080
  483    HA   ALA  61           HA       ALA  61 -21.960   9.180  12.432
  484   1HB   ALA  61          1HB       ALA  61 -20.870   8.143   9.888
  485   2HB   ALA  61          2HB       ALA  61 -21.930   9.520  10.194
  486   3HB   ALA  61          3HB       ALA  61 -22.590   7.885  10.173
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  -5.692   7.531   1.250
    2   2H    MET   1          2HT       MET   1  -5.508   8.698   0.006
    3   3H    MET   1          3HT       MET   1  -4.413   8.670   1.326
    4    HA   MET   1           HA       MET   1  -3.452   7.742  -0.647
    5   1HB   MET   1          2HB       MET   1  -3.694   6.561   1.956
    6   2HB   MET   1          1HB       MET   1  -3.529   5.278   0.765
    7   1HG   MET   1          2HG       MET   1  -1.469   6.197  -0.033
    8   2HG   MET   1          1HG       MET   1  -1.666   7.629   0.976
    9   1HE   MET   1          1HE       MET   1  -0.553   6.790   4.344
   10   2HE   MET   1          2HE       MET   1  -1.385   7.870   3.225
   11   3HE   MET   1          3HE       MET   1   0.342   7.565   3.036
   12    H    TYR   2           H        TYR   2  -4.045   7.015  -2.576
   13    HA   TYR   2           HA       TYR   2  -6.411   5.349  -2.853
   14   1HB   TYR   2          2HB       TYR   2  -4.755   7.021  -4.665
   15   2HB   TYR   2          1HB       TYR   2  -5.564   5.633  -5.386
   16    HD1  TYR   2           1HD      TYR   2  -6.639   8.038  -2.735
   17    HD2  TYR   2           2HD      TYR   2  -7.380   6.403  -6.592
   18    HE1  TYR   2           1HE      TYR   2  -8.722   9.336  -2.878
   19    HE2  TYR   2           2HE      TYR   2  -9.465   7.698  -6.747
   20    HH   TYR   2           HH       TYR   2 -11.040   8.938  -4.320
   21    H    LYS   3           H        LYS   3  -6.447   3.306  -3.787
   22    HA   LYS   3           HA       LYS   3  -4.365   1.568  -3.139
   23   1HB   LYS   3          2HB       LYS   3  -6.654   0.795  -3.421
   24   2HB   LYS   3          1HB       LYS   3  -6.615   1.214  -5.128
   25   1HG   LYS   3          2HG       LYS   3  -4.786  -0.463  -5.416
   26   2HG   LYS   3          1HG       LYS   3  -5.058  -0.956  -3.744
   27   1HD   LYS   3          2HD       LYS   3  -7.062  -1.944  -4.219
   28   2HD   LYS   3          1HD       LYS   3  -7.412  -0.842  -5.551
   29   1HE   LYS   3          2HE       LYS   3  -5.915  -1.995  -7.001
   30   2HE   LYS   3          1HE       LYS   3  -5.272  -2.956  -5.670
   31   1HZ   LYS   3          1HZ       LYS   3  -7.385  -4.063  -5.458
   32   2HZ   LYS   3          2HZ       LYS   3  -6.847  -4.194  -7.055
   33   3HZ   LYS   3          3HZ       LYS   3  -8.067  -3.090  -6.664
   34    H    LYS   4           H        LYS   4  -5.222   3.035  -6.251
   35    HA   LYS   4           HA       LYS   4  -3.451   1.740  -7.919
   36   1HB   LYS   4          2HB       LYS   4  -5.203   3.421  -8.577
   37   2HB   LYS   4          1HB       LYS   4  -4.091   4.686  -8.070
   38   1HG   LYS   4          2HG       LYS   4  -2.491   4.003  -9.746
   39   2HG   LYS   4          1HG       LYS   4  -3.519   2.647 -10.212
   40   1HD   LYS   4          2HD       LYS   4  -4.982   5.139 -10.281
   41   2HD   LYS   4          1HD       LYS   4  -3.535   5.224 -11.286
   42   1HE   LYS   4          2HE       LYS   4  -5.363   2.859 -11.450
   43   2HE   LYS   4          1HE       LYS   4  -5.749   4.347 -12.314
   44   1HZ   LYS   4          1HZ       LYS   4  -3.888   4.149 -13.652
   45   2HZ   LYS   4          2HZ       LYS   4  -4.406   2.546 -13.515
   46   3HZ   LYS   4          3HZ       LYS   4  -3.095   3.091 -12.595
   47    H    ASP   5           H        ASP   5  -2.840   4.516  -5.812
   48    HA   ASP   5           HA       ASP   5  -0.225   5.065  -6.676
   49   1HB   ASP   5          2HB       ASP   5  -1.925   6.262  -4.947
   50   2HB   ASP   5          1HB       ASP   5  -0.826   5.493  -3.807
   51    H    VAL   6           H        VAL   6  -1.341   3.148  -3.882
   52    HA   VAL   6           HA       VAL   6   1.138   2.322  -2.964
   53    HB   VAL   6           HB       VAL   6  -1.267   0.528  -2.854
   54   1HG1  VAL   6          1HG1      VAL   6   0.949  -0.118  -1.891
   55   2HG1  VAL   6          2HG1      VAL   6  -0.391  -0.108  -0.744
   56   3HG1  VAL   6          3HG1      VAL   6   0.767   1.221  -0.761
   57   1HG2  VAL   6          1HG2      VAL   6  -0.899   3.189  -1.532
   58   2HG2  VAL   6          2HG2      VAL   6  -1.792   1.906  -0.715
   59   3HG2  VAL   6          3HG2      VAL   6  -2.340   2.503  -2.282
   60    H    ILE   7           H        ILE   7  -0.950   0.937  -5.452
   61    HA   ILE   7           HA       ILE   7   0.611  -1.410  -5.847
   62    HB   ILE   7           HB       ILE   7  -1.389  -0.090  -7.687
   63   1HG1  ILE   7          2HG1      ILE   7  -2.299  -0.782  -5.487
   64   2HG1  ILE   7          1HG1      ILE   7  -2.977  -1.712  -6.819
   65   1HG2  ILE   7          1HG2      ILE   7  -1.517  -2.259  -8.809
   66   2HG2  ILE   7          2HG2      ILE   7  -0.237  -2.876  -7.764
   67   3HG2  ILE   7          3HG2      ILE   7   0.106  -1.575  -8.906
   68   1HD1  ILE   7          1HD1      ILE   7  -1.764  -2.670  -4.485
   69   2HD1  ILE   7          2HD1      ILE   7  -0.658  -3.041  -5.807
   70   3HD1  ILE   7          3HD1      ILE   7  -2.330  -3.600  -5.873
   71    H    ASP   8           H        ASP   8   0.566   1.792  -7.303
   72    HA   ASP   8           HA       ASP   8   2.405   1.130  -9.398
   73   1HB   ASP   8          2HB       ASP   8   0.709   3.293  -8.795
   74   2HB   ASP   8          1HB       ASP   8   2.342   3.952  -8.784
   75    H    HIS   9           H        HIS   9   2.631   2.128  -6.102
   76    HA   HIS   9           HA       HIS   9   5.365   3.016  -6.305
   77   1HB   HIS   9          2HB       HIS   9   4.012   4.119  -4.663
   78   2HB   HIS   9          1HB       HIS   9   3.509   2.586  -3.961
   79    HD1  HIS   9           1HD      HIS   9   5.705   5.285  -3.308
   80    HD2  HIS   9           2HD      HIS   9   5.981   1.160  -2.892
   81    HE1  HIS   9           1HE      HIS   9   7.558   4.898  -1.651
   82    HE2  HIS   9           2HE      HIS   9   7.648   2.398  -1.352
   83    H    PHE  10           H        PHE  10   3.645   0.091  -5.582
   84    HA   PHE  10           HA       PHE  10   6.055  -1.199  -4.563
   85   1HB   PHE  10          2HB       PHE  10   3.161  -2.023  -4.682
   86   2HB   PHE  10          1HB       PHE  10   4.434  -3.174  -4.289
   87    HD1  PHE  10           1HD      PHE  10   4.200  -3.675  -2.049
   88    HD2  PHE  10           2HD      PHE  10   4.000   0.387  -3.295
   89    HE1  PHE  10           1HE      PHE  10   4.119  -2.958   0.303
   90    HE2  PHE  10           2HE      PHE  10   3.917   1.111  -0.949
   91    HZ   PHE  10           HZ       PHE  10   3.978  -0.562   0.856
   92    H    GLY  11           H        GLY  11   3.733  -1.464  -7.226
   93   1HA   GLY  11          2HA       GLY  11   4.570  -1.976  -9.444
   94   2HA   GLY  11          1HA       GLY  11   5.756  -3.033  -8.694
   95    H    THR  12           H        THR  12   3.759  -4.162  -6.841
   96    HA   THR  12           HA       THR  12   1.954  -5.573  -8.656
   97    HB   THR  12           HB       THR  12   2.648  -7.749  -7.512
   98    HG1  THR  12           1HG      THR  12   3.977  -7.324  -5.921
   99   1HG2  THR  12          1HG2      THR  12   4.271  -8.273  -9.080
  100   2HG2  THR  12          2HG2      THR  12   4.908  -6.630  -9.113
  101   3HG2  THR  12          3HG2      THR  12   3.349  -6.985  -9.854
  102    H    GLN  13           H        GLN  13   0.516  -7.118  -7.328
  103    HA   GLN  13           HA       GLN  13  -0.599  -5.558  -5.159
  104   1HB   GLN  13          2HB       GLN  13  -1.513  -8.116  -6.485
  105   2HB   GLN  13          1HB       GLN  13  -2.398  -7.299  -5.204
  106   1HG   GLN  13          2HG       GLN  13  -1.898  -5.337  -7.126
  107   2HG   GLN  13          1HG       GLN  13  -2.363  -6.777  -8.029
  108   1HE2  GLN  13          1HE2      GLN  13  -4.270  -7.967  -6.837
  109   2HE2  GLN  13          2HE2      GLN  13  -5.609  -6.945  -6.454
  110    H    ARG  14           H        ARG  14   0.562  -8.898  -5.586
  111    HA   ARG  14           HA       ARG  14   0.282  -9.785  -2.981
  112   1HB   ARG  14          2HB       ARG  14   1.511 -10.712  -5.350
  113   2HB   ARG  14          1HB       ARG  14   2.725 -10.827  -4.084
  114   1HG   ARG  14          2HG       ARG  14   1.041 -12.057  -2.701
  115   2HG   ARG  14          1HG       ARG  14  -0.002 -12.091  -4.124
  116   1HD   ARG  14          2HD       ARG  14   2.775 -13.009  -4.519
  117   2HD   ARG  14          1HD       ARG  14   1.753 -14.036  -3.514
  118    HE   ARG  14           HE       ARG  14   0.414 -13.320  -5.905
  119   1HH1  ARG  14          1HH1      ARG  14   2.933 -15.405  -4.685
  120   2HH1  ARG  14          2HH1      ARG  14   2.725 -16.592  -5.928
  121   1HH2  ARG  14          1HH2      ARG  14   0.140 -14.881  -7.542
  122   2HH2  ARG  14          2HH2      ARG  14   1.140 -16.294  -7.549
  123    H    ALA  15           H        ALA  15   2.681  -7.661  -4.343
  124    HA   ALA  15           HA       ALA  15   4.634  -7.865  -2.320
  125   1HB   ALA  15          1HB       ALA  15   5.401  -5.647  -3.166
  126   2HB   ALA  15          2HB       ALA  15   3.987  -5.617  -4.220
  127   3HB   ALA  15          3HB       ALA  15   5.211  -6.873  -4.420
  128    H    VAL  16           H        VAL  16   1.912  -5.622  -2.751
  129    HA   VAL  16           HA       VAL  16   2.381  -4.021  -0.516
  130    HB   VAL  16           HB       VAL  16  -0.459  -4.554  -1.168
  131   1HG1  VAL  16          1HG1      VAL  16  -0.031  -2.743   0.256
  132   2HG1  VAL  16          2HG1      VAL  16  -0.371  -2.019  -1.315
  133   3HG1  VAL  16          3HG1      VAL  16   1.293  -2.160  -0.750
  134   1HG2  VAL  16          1HG2      VAL  16  -0.065  -2.983  -3.232
  135   2HG2  VAL  16          2HG2      VAL  16   0.107  -4.730  -3.393
  136   3HG2  VAL  16          3HG2      VAL  16   1.539  -3.716  -3.221
  137    H    ALA  17           H        ALA  17   0.868  -7.155  -0.823
  138    HA   ALA  17           HA       ALA  17  -0.307  -7.184   1.779
  139   1HB   ALA  17          1HB       ALA  17  -1.231  -9.116   1.124
  140   2HB   ALA  17          2HB       ALA  17   0.313  -9.790   0.603
  141   3HB   ALA  17          3HB       ALA  17  -0.585  -8.714  -0.467
  142    H    LYS  18           H        LYS  18   2.832  -7.936   0.496
  143    HA   LYS  18           HA       LYS  18   3.711  -9.522   2.706
  144   1HB   LYS  18          2HB       LYS  18   4.645  -9.109   0.184
  145   2HB   LYS  18          1HB       LYS  18   5.755  -8.113   1.114
  146   1HG   LYS  18          2HG       LYS  18   6.323 -10.042   2.504
  147   2HG   LYS  18          1HG       LYS  18   5.213 -11.042   1.562
  148   1HD   LYS  18          2HD       LYS  18   7.649  -9.616   0.495
  149   2HD   LYS  18          1HD       LYS  18   7.525 -11.345   0.827
  150   1HE   LYS  18          2HE       LYS  18   5.342 -10.735  -0.815
  151   2HE   LYS  18          1HE       LYS  18   6.708  -9.858  -1.503
  152   1HZ   LYS  18          1HZ       LYS  18   7.964 -11.971  -1.453
  153   2HZ   LYS  18          2HZ       LYS  18   6.614 -12.024  -2.470
  154   3HZ   LYS  18          3HZ       LYS  18   6.559 -12.771  -0.953
  155    H    ALA  19           H        ALA  19   3.931  -6.117   1.823
  156    HA   ALA  19           HA       ALA  19   5.733  -5.337   3.850
  157   1HB   ALA  19          1HB       ALA  19   4.420  -3.059   3.429
  158   2HB   ALA  19          2HB       ALA  19   3.873  -3.950   2.010
  159   3HB   ALA  19          3HB       ALA  19   5.597  -3.699   2.284
  160    H    LEU  20           H        LEU  20   2.177  -5.196   3.698
  161    HA   LEU  20           HA       LEU  20   1.977  -4.304   6.427
  162   1HB   LEU  20          2HB       LEU  20  -0.175  -5.289   4.553
  163   2HB   LEU  20          1HB       LEU  20  -0.439  -4.465   6.079
  164    HG   LEU  20           HG       LEU  20   1.147  -3.108   3.936
  165   1HD1  LEU  20          1HD1      LEU  20  -0.620  -2.584   2.640
  166   2HD1  LEU  20          2HD1      LEU  20  -1.746  -2.558   4.000
  167   3HD1  LEU  20          3HD1      LEU  20  -1.271  -4.094   3.276
  168   1HD2  LEU  20          1HD2      LEU  20  -0.835  -1.856   5.786
  169   2HD2  LEU  20          2HD2      LEU  20   0.618  -1.168   5.064
  170   3HD2  LEU  20          3HD2      LEU  20   0.754  -2.325   6.387
  171    H    GLY  21           H        GLY  21   1.914  -7.341   4.739
  172   1HA   GLY  21          2HA       GLY  21   2.315  -9.411   5.810
  173   2HA   GLY  21          1HA       GLY  21   1.732  -8.716   7.316
  174    H    ILE  22           H        ILE  22  -0.060  -8.288   4.371
  175    HA   ILE  22           HA       ILE  22  -2.124 -10.109   5.423
  176    HB   ILE  22           HB       ILE  22  -3.743  -8.782   4.102
  177   1HG1  ILE  22          2HG1      ILE  22  -1.365  -6.974   3.613
  178   2HG1  ILE  22          1HG1      ILE  22  -2.202  -7.931   2.394
  179   1HG2  ILE  22          1HG2      ILE  22  -3.746  -6.816   5.563
  180   2HG2  ILE  22          2HG2      ILE  22  -2.094  -7.186   6.056
  181   3HG2  ILE  22          3HG2      ILE  22  -3.403  -8.296   6.458
  182   1HD1  ILE  22          1HD1      ILE  22  -3.629  -5.853   4.011
  183   2HD1  ILE  22          2HD1      ILE  22  -4.100  -6.576   2.472
  184   3HD1  ILE  22          3HD1      ILE  22  -2.743  -5.450   2.539
  185    H    SER  23           H        SER  23  -3.707 -10.632   3.408
  186    HA   SER  23           HA       SER  23  -2.003 -12.104   1.549
  187   1HB   SER  23          2HB       SER  23  -4.768 -12.415   2.584
  188   2HB   SER  23          1HB       SER  23  -4.485 -12.952   0.928
  189    HG   SER  23           HG       SER  23  -3.938 -14.264   3.115
  190    H    ASP  24           H        ASP  24  -2.716 -12.256  -0.743
  191    HA   ASP  24           HA       ASP  24  -2.770  -9.737  -1.953
  192   1HB   ASP  24          2HB       ASP  24  -3.281 -10.994  -4.054
  193   2HB   ASP  24          1HB       ASP  24  -1.913 -11.641  -3.155
  194    H    ALA  25           H        ALA  25  -5.353 -11.873  -0.974
  195    HA   ALA  25           HA       ALA  25  -7.462 -10.807  -2.464
  196   1HB   ALA  25          1HB       ALA  25  -8.166 -12.695  -1.434
  197   2HB   ALA  25          2HB       ALA  25  -8.742 -11.545  -0.228
  198   3HB   ALA  25          3HB       ALA  25  -7.215 -12.391   0.019
  199    H    ALA  26           H        ALA  26  -6.235  -9.884   0.739
  200    HA   ALA  26           HA       ALA  26  -8.122  -7.907   1.319
  201   1HB   ALA  26          1HB       ALA  26  -5.313  -8.402   2.219
  202   2HB   ALA  26          2HB       ALA  26  -6.818  -8.532   3.127
  203   3HB   ALA  26          3HB       ALA  26  -6.167  -6.944   2.724
  204    H    VAL  27           H        VAL  27  -5.161  -7.787  -0.574
  205    HA   VAL  27           HA       VAL  27  -5.125  -4.948  -0.863
  206    HB   VAL  27           HB       VAL  27  -3.804  -7.021  -2.622
  207   1HG1  VAL  27          1HG1      VAL  27  -3.897  -4.822  -3.653
  208   2HG1  VAL  27          2HG1      VAL  27  -2.243  -5.204  -3.171
  209   3HG1  VAL  27          3HG1      VAL  27  -3.211  -4.093  -2.201
  210   1HG2  VAL  27          1HG2      VAL  27  -3.167  -7.310  -0.282
  211   2HG2  VAL  27          2HG2      VAL  27  -2.731  -5.603  -0.184
  212   3HG2  VAL  27          3HG2      VAL  27  -1.820  -6.687  -1.235
  213    H    SER  28           H        SER  28  -6.219  -7.626  -2.921
  214    HA   SER  28           HA       SER  28  -7.024  -5.990  -5.091
  215   1HB   SER  28          2HB       SER  28  -6.585  -8.356  -5.431
  216   2HB   SER  28          1HB       SER  28  -7.874  -8.789  -4.310
  217    HG   SER  28           HG       SER  28  -8.282  -7.309  -6.695
  218    H    GLN  29           H        GLN  29  -8.568  -6.991  -2.132
  219    HA   GLN  29           HA       GLN  29 -11.220  -6.276  -2.938
  220   1HB   GLN  29          2HB       GLN  29 -10.270  -7.832  -0.965
  221   2HB   GLN  29          1HB       GLN  29 -10.520  -6.347  -0.057
  222   1HG   GLN  29          2HG       GLN  29 -12.840  -6.310  -0.615
  223   2HG   GLN  29          1HG       GLN  29 -12.640  -7.655  -1.738
  224   1HE2  GLN  29          1HE2      GLN  29 -11.570  -7.073   1.596
  225   2HE2  GLN  29          2HE2      GLN  29 -12.270  -8.515   2.250
  226    H    TRP  30           H        TRP  30  -8.496  -4.521  -1.846
  227    HA   TRP  30           HA       TRP  30  -9.577  -2.434  -0.395
  228   1HB   TRP  30          2HB       TRP  30  -7.275  -2.547  -2.329
  229   2HB   TRP  30          1HB       TRP  30  -7.702  -1.051  -1.508
  230    HD1  TRP  30           HD       TRP  30  -8.462  -3.207   1.137
  231    HE1  TRP  30           1HE      TRP  30  -6.461  -3.698   2.679
  232    HE3  TRP  30           3HE      TRP  30  -4.672  -1.734  -1.959
  233    HZ2  TRP  30           2HZ      TRP  30  -3.646  -3.489   2.592
  234    HZ3  TRP  30           3HZ      TRP  30  -2.354  -1.911  -1.155
  235    HH2  TRP  30           HH       TRP  30  -1.854  -2.771   1.075
  236    H    LYS  31           H        LYS  31 -10.310  -0.352  -0.933
  237    HA   LYS  31           HA       LYS  31 -11.620  -0.213  -3.565
  238   1HB   LYS  31          2HB       LYS  31 -12.410   0.552  -0.848
  239   2HB   LYS  31          1HB       LYS  31 -12.730   1.801  -2.043
  240   1HG   LYS  31          2HG       LYS  31 -13.560  -0.982  -2.667
  241   2HG   LYS  31          1HG       LYS  31 -14.490  -0.070  -1.480
  242   1HD   LYS  31          2HD       LYS  31 -15.460   1.160  -3.069
  243   2HD   LYS  31          1HD       LYS  31 -13.910   1.529  -3.821
  244   1HE   LYS  31          2HE       LYS  31 -15.000  -1.201  -4.213
  245   2HE   LYS  31          1HE       LYS  31 -15.810   0.119  -5.051
  246   1HZ   LYS  31          1HZ       LYS  31 -14.070   0.441  -6.417
  247   2HZ   LYS  31          2HZ       LYS  31 -13.700  -1.165  -6.034
  248   3HZ   LYS  31          3HZ       LYS  31 -12.910   0.094  -5.233
  249    H    GLU  32           H        GLU  32 -12.150   2.456  -3.765
  250    HA   GLU  32           HA       GLU  32  -9.936   3.541  -4.949
  251   1HB   GLU  32          2HB       GLU  32 -12.540   4.398  -4.371
  252   2HB   GLU  32          1HB       GLU  32 -11.490   5.648  -3.719
  253   1HG   GLU  32          2HG       GLU  32 -10.320   5.581  -6.001
  254   2HG   GLU  32          1HG       GLU  32 -11.750   4.700  -6.546
  255    H    VAL  33           H        VAL  33 -10.730   3.505  -1.561
  256    HA   VAL  33           HA       VAL  33  -8.188   4.862  -0.989
  257    HB   VAL  33           HB       VAL  33 -10.680   5.137   0.684
  258   1HG1  VAL  33          1HG1      VAL  33  -9.343   7.001   1.719
  259   2HG1  VAL  33          2HG1      VAL  33  -7.945   6.363   0.854
  260   3HG1  VAL  33          3HG1      VAL  33  -8.769   5.369   2.056
  261   1HG2  VAL  33          1HG2      VAL  33 -10.340   6.315  -1.732
  262   2HG2  VAL  33          2HG2      VAL  33  -9.596   7.508  -0.669
  263   3HG2  VAL  33          3HG2      VAL  33 -11.270   7.019  -0.405
  264    H    ILE  34           H        ILE  34  -6.844   3.471  -0.058
  265    HA   ILE  34           HA       ILE  34  -7.478   0.945   0.882
  266    HB   ILE  34           HB       ILE  34  -5.279   1.110   2.171
  267   1HG1  ILE  34          2HG1      ILE  34  -5.015   3.694   0.629
  268   2HG1  ILE  34          1HG1      ILE  34  -5.411   3.634   2.343
  269   1HG2  ILE  34          1HG2      ILE  34  -5.643   1.400  -0.769
  270   2HG2  ILE  34          2HG2      ILE  34  -5.071   0.020   0.168
  271   3HG2  ILE  34          3HG2      ILE  34  -4.008   1.401  -0.106
  272   1HD1  ILE  34          1HD1      ILE  34  -3.266   2.293   2.617
  273   2HD1  ILE  34          2HD1      ILE  34  -3.111   4.013   2.261
  274   3HD1  ILE  34          3HD1      ILE  34  -2.870   2.823   0.982
  275    HA   PRO  35           HA       PRO  35  -9.190   1.104   4.921
  276   1HB   PRO  35          2HB       PRO  35  -6.845  -0.439   5.919
  277   2HB   PRO  35          1HB       PRO  35  -8.570  -0.786   6.073
  278   1HG   PRO  35          2HG       PRO  35  -7.077  -2.145   4.347
  279   2HG   PRO  35          1HG       PRO  35  -8.725  -1.650   3.924
  280   1HD   PRO  35          2HD       PRO  35  -6.113  -0.482   3.060
  281   2HD   PRO  35          1HD       PRO  35  -7.615  -0.692   2.137
  282    H    GLU  36           H        GLU  36  -8.827   1.821   7.145
  283    HA   GLU  36           HA       GLU  36  -7.232   4.174   7.236
  284   1HB   GLU  36          2HB       GLU  36  -9.428   3.862   8.401
  285   2HB   GLU  36          1HB       GLU  36  -8.623   2.779   9.526
  286   1HG   GLU  36          2HG       GLU  36  -7.725   5.610   9.111
  287   2HG   GLU  36          1HG       GLU  36  -8.977   5.173  10.272
  288    H    LYS  37           H        LYS  37  -6.844   0.906   8.454
  289    HA   LYS  37           HA       LYS  37  -4.483   1.642   9.983
  290   1HB   LYS  37          2HB       LYS  37  -6.229  -0.742   9.781
  291   2HB   LYS  37          1HB       LYS  37  -4.542  -1.044  10.169
  292   1HG   LYS  37          2HG       LYS  37  -4.737   0.543  12.057
  293   2HG   LYS  37          1HG       LYS  37  -6.456   0.705  11.696
  294   1HD   LYS  37          2HD       LYS  37  -5.917  -2.058  11.832
  295   2HD   LYS  37          1HD       LYS  37  -5.106  -1.317  13.214
  296   1HE   LYS  37          2HE       LYS  37  -8.012  -0.986  12.471
  297   2HE   LYS  37          1HE       LYS  37  -7.385  -1.989  13.779
  298   1HZ   LYS  37          1HZ       LYS  37  -7.079  -0.218  15.098
  299   2HZ   LYS  37          2HZ       LYS  37  -8.205   0.535  14.085
  300   3HZ   LYS  37          3HZ       LYS  37  -6.550   0.783  13.842
  301    H    ASP  38           H        ASP  38  -5.238   0.433   6.852
  302    HA   ASP  38           HA       ASP  38  -2.693  -0.849   6.433
  303   1HB   ASP  38          2HB       ASP  38  -5.164  -0.426   4.875
  304   2HB   ASP  38          1HB       ASP  38  -3.685  -0.474   3.921
  305    H    ALA  39           H        ALA  39  -4.192   2.234   5.583
  306    HA   ALA  39           HA       ALA  39  -2.100   3.199   3.956
  307   1HB   ALA  39          1HB       ALA  39  -4.307   4.197   3.907
  308   2HB   ALA  39          2HB       ALA  39  -3.104   5.414   4.330
  309   3HB   ALA  39          3HB       ALA  39  -4.135   4.719   5.580
  310    H    TYR  40           H        TYR  40  -2.486   2.981   7.398
  311    HA   TYR  40           HA       TYR  40  -0.621   4.976   8.143
  312   1HB   TYR  40          2HB       TYR  40  -2.265   4.078   9.721
  313   2HB   TYR  40          1HB       TYR  40  -1.499   2.489   9.631
  314    HD1  TYR  40           1HD      TYR  40  -0.710   6.035  10.493
  315    HD2  TYR  40           2HD      TYR  40   0.097   1.920  11.208
  316    HE1  TYR  40           1HE      TYR  40   0.782   6.658  12.345
  317    HE2  TYR  40           2HE      TYR  40   1.592   2.529  13.066
  318    HH   TYR  40           HH       TYR  40   2.998   5.126  13.516
  319    H    ARG  41           H        ARG  41  -0.198   1.455   8.509
  320    HA   ARG  41           HA       ARG  41   2.558   1.497   8.816
  321   1HB   ARG  41          2HB       ARG  41   0.910  -0.711   7.572
  322   2HB   ARG  41          1HB       ARG  41   2.513  -0.883   8.273
  323   1HG   ARG  41          2HG       ARG  41   1.640  -0.304  10.465
  324   2HG   ARG  41          1HG       ARG  41   0.032  -0.074   9.774
  325   1HD   ARG  41          2HD       ARG  41  -0.303  -2.217  10.340
  326   2HD   ARG  41          1HD       ARG  41   0.658  -2.583   8.907
  327    HE   ARG  41           HE       ARG  41   2.455  -2.236  10.975
  328   1HH1  ARG  41          1HH1      ARG  41  -0.203  -4.376  10.241
  329   2HH1  ARG  41          2HH1      ARG  41   0.454  -5.702  11.139
  330   1HH2  ARG  41          1HH2      ARG  41   3.321  -3.981  12.156
  331   2HH2  ARG  41          2HH2      ARG  41   2.455  -5.479  12.225
  332    H    LEU  42           H        LEU  42   0.649   1.706   5.919
  333    HA   LEU  42           HA       LEU  42   2.538   0.914   4.018
  334   1HB   LEU  42          2HB       LEU  42   0.063   2.516   4.027
  335   2HB   LEU  42          1HB       LEU  42   1.158   2.843   2.696
  336    HG   LEU  42           HG       LEU  42   0.079   0.111   3.391
  337   1HD1  LEU  42          1HD1      LEU  42  -0.963   0.738   0.970
  338   2HD1  LEU  42          2HD1      LEU  42  -0.993   2.309   1.770
  339   3HD1  LEU  42          3HD1      LEU  42  -1.812   0.930   2.504
  340   1HD2  LEU  42          1HD2      LEU  42   2.040  -0.316   2.260
  341   2HD2  LEU  42          2HD2      LEU  42   1.930   1.157   1.296
  342   3HD2  LEU  42          3HD2      LEU  42   0.885  -0.216   0.932
  343    H    GLU  43           H        GLU  43   2.104   3.955   5.712
  344    HA   GLU  43           HA       GLU  43   3.860   5.491   4.098
  345   1HB   GLU  43          2HB       GLU  43   2.143   6.455   5.614
  346   2HB   GLU  43          1HB       GLU  43   3.106   5.934   6.990
  347   1HG   GLU  43          2HG       GLU  43   4.724   7.456   5.176
  348   2HG   GLU  43          1HG       GLU  43   3.265   8.354   5.597
  349    H    ILE  44           H        ILE  44   4.388   3.167   6.587
  350    HA   ILE  44           HA       ILE  44   7.058   4.102   7.211
  351    HB   ILE  44           HB       ILE  44   5.775   1.507   8.046
  352   1HG1  ILE  44          2HG1      ILE  44   5.443   4.298   9.030
  353   2HG1  ILE  44          1HG1      ILE  44   4.285   2.974   8.998
  354   1HG2  ILE  44          1HG2      ILE  44   8.332   1.995   8.211
  355   2HG2  ILE  44          2HG2      ILE  44   7.484   1.275   9.579
  356   3HG2  ILE  44          3HG2      ILE  44   7.858   2.998   9.583
  357   1HD1  ILE  44          1HD1      ILE  44   4.847   3.587  11.269
  358   2HD1  ILE  44          2HD1      ILE  44   6.555   3.298  10.943
  359   3HD1  ILE  44          3HD1      ILE  44   5.412   1.955  10.912
  360    H    VAL  45           H        VAL  45   5.612   1.236   5.674
  361    HA   VAL  45           HA       VAL  45   7.975  -0.082   5.005
  362    HB   VAL  45           HB       VAL  45   6.573  -1.031   3.063
  363   1HG1  VAL  45          1HG1      VAL  45   4.957  -2.009   5.035
  364   2HG1  VAL  45          2HG1      VAL  45   6.332  -1.397   5.954
  365   3HG1  VAL  45          3HG1      VAL  45   6.585  -2.585   4.676
  366   1HG2  VAL  45          1HG2      VAL  45   4.310   0.260   4.562
  367   2HG2  VAL  45          2HG2      VAL  45   4.249  -0.631   3.042
  368   3HG2  VAL  45          3HG2      VAL  45   5.006   0.959   3.102
  369    H    THR  46           H        THR  46   6.242   2.476   3.326
  370    HA   THR  46           HA       THR  46   7.942   2.365   1.008
  371    HB   THR  46           HB       THR  46   6.672   4.509   0.445
  372    HG1  THR  46           1HG      THR  46   4.774   4.801   1.696
  373   1HG2  THR  46          1HG2      THR  46   4.655   2.410   0.965
  374   2HG2  THR  46          2HG2      THR  46   6.008   2.008  -0.092
  375   3HG2  THR  46          3HG2      THR  46   4.955   3.366  -0.487
  376    H    ALA  47           H        ALA  47   8.761   3.247   3.961
  377    HA   ALA  47           HA       ALA  47  10.398   4.554   4.842
  378   1HB   ALA  47          1HB       ALA  47  11.727   5.852   2.871
  379   2HB   ALA  47          2HB       ALA  47  11.029   4.505   1.973
  380   3HB   ALA  47          3HB       ALA  47  12.058   4.192   3.369
  381    H    GLY  48           H        GLY  48   7.728   5.597   4.432
  382   1HA   GLY  48          2HA       GLY  48   6.708   7.601   4.968
  383   2HA   GLY  48          1HA       GLY  48   8.292   8.361   4.971
  384    H    ALA  49           H        ALA  49   7.160   6.553   2.215
  385    HA   ALA  49           HA       ALA  49   7.487   8.826   0.505
  386   1HB   ALA  49          1HB       ALA  49   6.167   6.276  -0.344
  387   2HB   ALA  49          2HB       ALA  49   7.901   6.339  -0.031
  388   3HB   ALA  49          3HB       ALA  49   7.192   7.364  -1.278
  389    H    LEU  50           H        LEU  50   4.691   6.839   1.460
  390    HA   LEU  50           HA       LEU  50   2.881   8.809   0.294
  391   1HB   LEU  50          2HB       LEU  50   2.656   5.992   1.203
  392   2HB   LEU  50          1HB       LEU  50   1.217   6.985   1.331
  393    HG   LEU  50           HG       LEU  50   2.759   6.679  -1.239
  394   1HD1  LEU  50          1HD1      LEU  50   1.581   4.831  -1.827
  395   2HD1  LEU  50          2HD1      LEU  50   0.193   5.260  -0.826
  396   3HD1  LEU  50          3HD1      LEU  50   1.634   4.565  -0.084
  397   1HD2  LEU  50          1HD2      LEU  50   1.201   8.641  -0.871
  398   2HD2  LEU  50          2HD2      LEU  50  -0.112   7.465  -0.819
  399   3HD2  LEU  50          3HD2      LEU  50   0.866   7.630  -2.277
  400    H    LYS  51           H        LYS  51   2.241  10.463   1.492
  401    HA   LYS  51           HA       LYS  51   2.479  10.425   4.361
  402   1HB   LYS  51          2HB       LYS  51   1.538  12.754   4.172
  403   2HB   LYS  51          1HB       LYS  51   3.033  12.478   3.288
  404   1HG   LYS  51          2HG       LYS  51   2.042  12.709   1.258
  405   2HG   LYS  51          1HG       LYS  51   0.489  12.089   1.821
  406   1HD   LYS  51          2HD       LYS  51   0.032  14.336   1.492
  407   2HD   LYS  51          1HD       LYS  51   0.408  14.278   3.214
  408   1HE   LYS  51          2HE       LYS  51   2.555  14.835   1.202
  409   2HE   LYS  51          1HE       LYS  51   1.479  16.123   1.742
  410   1HZ   LYS  51          1HZ       LYS  51   3.477  16.080   3.068
  411   2HZ   LYS  51          2HZ       LYS  51   3.220  14.460   3.480
  412   3HZ   LYS  51          3HZ       LYS  51   2.150  15.650   4.028
  413    H    TYR  52           H        TYR  52   0.961   9.849   5.761
  414    HA   TYR  52           HA       TYR  52  -1.572   8.901   4.938
  415   1HB   TYR  52          2HB       TYR  52  -0.211   8.236   7.014
  416   2HB   TYR  52          1HB       TYR  52  -0.884   9.678   7.767
  417    HD1  TYR  52           1HD      TYR  52  -3.382   9.860   8.028
  418    HD2  TYR  52           2HD      TYR  52  -1.475   6.248   6.836
  419    HE1  TYR  52           1HE      TYR  52  -5.398   8.598   8.645
  420    HE2  TYR  52           2HE      TYR  52  -3.488   4.978   7.449
  421    HH   TYR  52           HH       TYR  52  -6.230   5.859   7.645
  422    H    GLN  53           H        GLN  53  -3.651   9.726   5.357
  423    HA   GLN  53           HA       GLN  53  -3.866  12.503   6.224
  424   1HB   GLN  53          2HB       GLN  53  -4.756  11.490   3.525
  425   2HB   GLN  53          1HB       GLN  53  -5.363  12.979   4.235
  426   1HG   GLN  53          2HG       GLN  53  -3.254  14.010   4.136
  427   2HG   GLN  53          1HG       GLN  53  -2.433  12.481   3.830
  428   1HE2  GLN  53          1HE2      GLN  53  -2.244  11.750   1.781
  429   2HE2  GLN  53          2HE2      GLN  53  -2.819  12.598   0.390
  430    H    GLU  54           H        GLU  54  -5.242  12.316   7.865
  431    HA   GLU  54           HA       GLU  54  -7.148  10.279   8.180
  432   1HB   GLU  54          2HB       GLU  54  -7.977  11.565  10.062
  433   2HB   GLU  54          1HB       GLU  54  -6.218  11.594  10.045
  434   1HG   GLU  54          2HG       GLU  54  -6.220  13.802  10.033
  435   2HG   GLU  54          1HG       GLU  54  -7.192  13.825   8.562
  436    H    ASN  55           H        ASN  55  -7.245  13.078   6.242
  437    HA   ASN  55           HA       ASN  55  -9.813  13.975   6.273
  438   1HB   ASN  55          2HB       ASN  55  -7.640  14.124   4.492
  439   2HB   ASN  55          1HB       ASN  55  -9.017  13.608   3.523
  440   1HD2  ASN  55          1HD2      ASN  55 -10.790  14.965   3.317
  441   2HD2  ASN  55          2HD2      ASN  55 -10.710  16.645   3.710
  442    H    ALA  56           H        ALA  56  -8.668  11.194   4.356
  443    HA   ALA  56           HA       ALA  56 -11.330  10.489   3.560
  444   1HB   ALA  56          1HB       ALA  56  -9.202   8.483   3.264
  445   2HB   ALA  56          2HB       ALA  56  -8.924  10.029   2.462
  446   3HB   ALA  56          3HB       ALA  56 -10.360   9.087   2.087
  447    H    TYR  57           H        TYR  57  -9.225   9.693   6.179
  448    HA   TYR  57           HA       TYR  57 -10.940   7.445   6.965
  449   1HB   TYR  57          2HB       TYR  57  -8.405   8.113   8.394
  450   2HB   TYR  57          1HB       TYR  57  -9.173   6.547   8.152
  451    HD1  TYR  57           1HD      TYR  57  -9.172   5.616   5.740
  452    HD2  TYR  57           2HD      TYR  57  -6.617   8.757   7.047
  453    HE1  TYR  57           1HE      TYR  57  -7.665   5.169   3.851
  454    HE2  TYR  57           2HE      TYR  57  -5.102   8.316   5.161
  455    HH   TYR  57           HH       TYR  57  -5.496   5.542   3.090
  456    H    ARG  58           H        ARG  58 -11.910  10.087   7.249
  457    HA   ARG  58           HA       ARG  58 -11.730  10.564  10.141
  458   1HB   ARG  58          2HB       ARG  58 -12.690  12.774   9.669
  459   2HB   ARG  58          1HB       ARG  58 -11.220  12.499   8.749
  460   1HG   ARG  58          2HG       ARG  58 -12.450  13.310   7.056
  461   2HG   ARG  58          1HG       ARG  58 -13.040  11.652   6.966
  462   1HD   ARG  58          2HD       ARG  58 -14.900  12.320   8.503
  463   2HD   ARG  58          1HD       ARG  58 -14.340  13.987   8.366
  464    HE   ARG  58           HE       ARG  58 -15.850  12.507   6.433
  465   1HH1  ARG  58          1HH1      ARG  58 -13.560  15.112   6.855
  466   2HH1  ARG  58          2HH1      ARG  58 -14.020  15.917   5.392
  467   1HH2  ARG  58          1HH2      ARG  58 -16.450  13.562   4.508
  468   2HH2  ARG  58          2HH2      ARG  58 -15.660  15.038   4.059
  469    H    GLN  59           H        GLN  59 -14.010   9.995   7.514
  470    HA   GLN  59           HA       GLN  59 -16.140   9.639   9.518
  471   1HB   GLN  59          2HB       GLN  59 -16.620  11.421   7.905
  472   2HB   GLN  59          1HB       GLN  59 -16.380  10.293   6.575
  473   1HG   GLN  59          2HG       GLN  59 -18.710  10.534   6.864
  474   2HG   GLN  59          1HG       GLN  59 -18.290   8.951   7.515
  475   1HE2  GLN  59          1HE2      GLN  59 -20.030  11.689   8.061
  476   2HE2  GLN  59          2HE2      GLN  59 -20.220  11.567   9.774
  477    H    ALA  60           H        ALA  60 -14.590   8.265   6.676
  478    HA   ALA  60           HA       ALA  60 -16.260   6.033   6.341
  479   1HB   ALA  60          1HB       ALA  60 -14.570   5.142   4.936
  480   2HB   ALA  60          2HB       ALA  60 -13.310   6.100   5.723
  481   3HB   ALA  60          3HB       ALA  60 -14.530   6.891   4.720
  482    H    ALA  61           H        ALA  61 -15.610   3.751   6.728
  483    HA   ALA  61           HA       ALA  61 -14.100   3.416   9.229
  484   1HB   ALA  61          1HB       ALA  61 -16.600   1.838   8.692
  485   2HB   ALA  61          2HB       ALA  61 -16.660   3.409   9.491
  486   3HB   ALA  61          3HB       ALA  61 -15.750   2.087  10.218
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  -4.390   5.798   1.517
    2   2H    MET   1          2HT       MET   1  -5.607   6.975   1.795
    3   3H    MET   1          3HT       MET   1  -3.973   7.320   2.184
    4    HA   MET   1           HA       MET   1  -4.761   8.373   0.148
    5   1HB   MET   1          2HB       MET   1  -2.732   7.869  -1.060
    6   2HB   MET   1          1HB       MET   1  -2.382   7.856   0.662
    7   1HG   MET   1          2HG       MET   1  -2.969   5.247   0.238
    8   2HG   MET   1          1HG       MET   1  -2.256   5.691  -1.312
    9   1HE   MET   1          1HE       MET   1  -2.028   6.621   2.236
   10   2HE   MET   1          2HE       MET   1  -0.350   7.139   2.408
   11   3HE   MET   1          3HE       MET   1  -0.808   5.483   2.811
   12    H    TYR   2           H        TYR   2  -4.212   7.485  -2.350
   13    HA   TYR   2           HA       TYR   2  -6.552   5.890  -2.934
   14   1HB   TYR   2          2HB       TYR   2  -4.535   7.288  -4.696
   15   2HB   TYR   2          1HB       TYR   2  -5.880   6.343  -5.327
   16    HD1  TYR   2           1HD      TYR   2  -5.038   9.478  -5.331
   17    HD2  TYR   2           2HD      TYR   2  -8.037   7.118  -3.449
   18    HE1  TYR   2           1HE      TYR   2  -6.492  11.455  -5.178
   19    HE2  TYR   2           2HE      TYR   2  -9.499   9.089  -3.292
   20    HH   TYR   2           HH       TYR   2  -9.157  11.635  -3.225
   21    H    LYS   3           H        LYS   3  -6.606   3.836  -3.668
   22    HA   LYS   3           HA       LYS   3  -4.513   2.078  -3.127
   23   1HB   LYS   3          2HB       LYS   3  -6.903   1.436  -3.326
   24   2HB   LYS   3          1HB       LYS   3  -6.793   1.655  -5.066
   25   1HG   LYS   3          2HG       LYS   3  -4.751  -0.058  -4.669
   26   2HG   LYS   3          1HG       LYS   3  -5.839  -0.547  -3.368
   27   1HD   LYS   3          2HD       LYS   3  -7.654  -0.491  -5.236
   28   2HD   LYS   3          1HD       LYS   3  -6.271  -0.607  -6.326
   29   1HE   LYS   3          2HE       LYS   3  -6.232  -2.802  -5.995
   30   2HE   LYS   3          1HE       LYS   3  -5.862  -2.516  -4.295
   31   1HZ   LYS   3          1HZ       LYS   3  -7.777  -3.618  -3.987
   32   2HZ   LYS   3          2HZ       LYS   3  -8.362  -3.289  -5.541
   33   3HZ   LYS   3          3HZ       LYS   3  -8.501  -2.124  -4.323
   34    H    LYS   4           H        LYS   4  -5.230   3.929  -5.984
   35    HA   LYS   4           HA       LYS   4  -3.756   2.486  -7.879
   36   1HB   LYS   4          2HB       LYS   4  -5.344   4.356  -8.367
   37   2HB   LYS   4          1HB       LYS   4  -4.127   5.483  -7.785
   38   1HG   LYS   4          2HG       LYS   4  -3.887   5.522 -10.098
   39   2HG   LYS   4          1HG       LYS   4  -2.592   4.456  -9.552
   40   1HD   LYS   4          2HD       LYS   4  -3.420   2.734 -10.703
   41   2HD   LYS   4          1HD       LYS   4  -5.035   2.985 -10.039
   42   1HE   LYS   4          2HE       LYS   4  -3.977   4.760 -12.206
   43   2HE   LYS   4          1HE       LYS   4  -4.676   3.189 -12.594
   44   1HZ   LYS   4          1HZ       LYS   4  -6.553   4.176 -10.994
   45   2HZ   LYS   4          2HZ       LYS   4  -6.559   4.394 -12.671
   46   3HZ   LYS   4          3HZ       LYS   4  -5.970   5.617 -11.662
   47    H    ASP   5           H        ASP   5  -2.775   5.227  -5.830
   48    HA   ASP   5           HA       ASP   5  -0.139   5.424  -6.733
   49   1HB   ASP   5          2HB       ASP   5  -1.687   6.762  -4.894
   50   2HB   ASP   5          1HB       ASP   5  -0.478   5.987  -3.874
   51    H    VAL   6           H        VAL   6  -1.473   3.569  -4.008
   52    HA   VAL   6           HA       VAL   6   0.879   2.535  -2.992
   53    HB   VAL   6           HB       VAL   6  -1.645   0.909  -3.121
   54   1HG1  VAL   6          1HG1      VAL   6   0.494   1.299  -1.047
   55   2HG1  VAL   6          2HG1      VAL   6   0.263  -0.117  -2.071
   56   3HG1  VAL   6          3HG1      VAL   6  -0.937   0.291  -0.846
   57   1HG2  VAL   6          1HG2      VAL   6  -2.175   2.216  -0.928
   58   2HG2  VAL   6          2HG2      VAL   6  -2.615   2.913  -2.488
   59   3HG2  VAL   6          3HG2      VAL   6  -1.167   3.470  -1.651
   60    H    ILE   7           H        ILE   7  -1.325   1.004  -5.342
   61    HA   ILE   7           HA       ILE   7   0.237  -1.256  -5.850
   62    HB   ILE   7           HB       ILE   7  -1.734   0.159  -7.648
   63   1HG1  ILE   7          2HG1      ILE   7  -2.005  -2.260  -5.849
   64   2HG1  ILE   7          1HG1      ILE   7  -2.689  -0.666  -5.549
   65   1HG2  ILE   7          1HG2      ILE   7  -0.264  -1.203  -9.002
   66   2HG2  ILE   7          2HG2      ILE   7  -1.853  -1.964  -8.894
   67   3HG2  ILE   7          3HG2      ILE   7  -0.512  -2.583  -7.930
   68   1HD1  ILE   7          1HD1      ILE   7  -3.417  -2.506  -7.815
   69   2HD1  ILE   7          2HD1      ILE   7  -4.097  -0.904  -7.530
   70   3HD1  ILE   7          3HD1      ILE   7  -4.375  -2.200  -6.366
   71    H    ASP   8           H        ASP   8   0.403   1.990  -7.138
   72    HA   ASP   8           HA       ASP   8   2.193   1.332  -9.279
   73   1HB   ASP   8          2HB       ASP   8   0.749   3.660  -8.367
   74   2HB   ASP   8          1HB       ASP   8   2.425   4.080  -8.704
   75    H    HIS   9           H        HIS   9   2.483   2.108  -5.927
   76    HA   HIS   9           HA       HIS   9   5.277   2.813  -6.102
   77   1HB   HIS   9          2HB       HIS   9   3.950   3.929  -4.416
   78   2HB   HIS   9          1HB       HIS   9   3.435   2.388  -3.741
   79    HD1  HIS   9           1HD      HIS   9   6.130   4.895  -3.591
   80    HD2  HIS   9           2HD      HIS   9   5.490   0.999  -2.293
   81    HE1  HIS   9           1HE      HIS   9   7.923   4.450  -1.885
   82    HE2  HIS   9           2HE      HIS   9   7.467   2.116  -1.056
   83    H    PHE  10           H        PHE  10   3.312   0.034  -5.336
   84    HA   PHE  10           HA       PHE  10   5.619  -1.514  -4.460
   85   1HB   PHE  10          2HB       PHE  10   2.657  -1.955  -4.463
   86   2HB   PHE  10          1HB       PHE  10   3.747  -3.329  -4.301
   87    HD1  PHE  10           1HD      PHE  10   2.385  -0.369  -2.699
   88    HD2  PHE  10           2HD      PHE  10   5.207  -3.529  -2.364
   89    HE1  PHE  10           1HE      PHE  10   2.614   0.100  -0.295
   90    HE2  PHE  10           2HE      PHE  10   5.442  -3.072   0.044
   91    HZ   PHE  10           HZ       PHE  10   4.144  -1.255   1.083
   92    H    GLY  11           H        GLY  11   3.366  -1.293  -7.154
   93   1HA   GLY  11          2HA       GLY  11   3.886  -1.912  -9.368
   94   2HA   GLY  11          1HA       GLY  11   5.195  -2.913  -8.757
   95    H    THR  12           H        THR  12   3.900  -4.479  -6.912
   96    HA   THR  12           HA       THR  12   1.803  -5.841  -8.462
   97    HB   THR  12           HB       THR  12   2.788  -8.015  -7.733
   98    HG1  THR  12           1HG      THR  12   4.850  -6.314  -6.805
   99   1HG2  THR  12          1HG2      THR  12   3.418  -7.680  -9.895
  100   2HG2  THR  12          2HG2      THR  12   4.997  -7.721  -9.113
  101   3HG2  THR  12          3HG2      THR  12   4.262  -6.175  -9.535
  102    H    GLN  13           H        GLN  13   0.228  -6.925  -7.259
  103    HA   GLN  13           HA       GLN  13  -0.508  -5.772  -4.827
  104   1HB   GLN  13          2HB       GLN  13  -1.373  -8.282  -6.238
  105   2HB   GLN  13          1HB       GLN  13  -2.047  -7.837  -4.677
  106   1HG   GLN  13          2HG       GLN  13  -2.439  -5.535  -5.929
  107   2HG   GLN  13          1HG       GLN  13  -2.431  -6.597  -7.337
  108   1HE2  GLN  13          1HE2      GLN  13  -3.574  -8.864  -6.184
  109   2HE2  GLN  13          2HE2      GLN  13  -5.225  -8.520  -5.811
  110    H    ARG  14           H        ARG  14   0.762  -9.051  -5.415
  111    HA   ARG  14           HA       ARG  14   0.908 -10.023  -2.874
  112   1HB   ARG  14          2HB       ARG  14   1.681 -11.027  -5.167
  113   2HB   ARG  14          1HB       ARG  14   3.260 -10.424  -4.683
  114   1HG   ARG  14          2HG       ARG  14   3.371 -12.540  -3.853
  115   2HG   ARG  14          1HG       ARG  14   2.692 -11.705  -2.454
  116   1HD   ARG  14          2HD       ARG  14   0.460 -12.405  -3.085
  117   2HD   ARG  14          1HD       ARG  14   1.085 -13.162  -4.549
  118    HE   ARG  14           HE       ARG  14   2.266 -14.175  -2.133
  119   1HH1  ARG  14          1HH1      ARG  14  -0.415 -14.468  -4.348
  120   2HH1  ARG  14          2HH1      ARG  14  -0.749 -16.113  -3.922
  121   1HH2  ARG  14          1HH2      ARG  14   1.829 -16.339  -1.572
  122   2HH2  ARG  14          2HH2      ARG  14   0.524 -17.175  -2.346
  123    H    ALA  15           H        ALA  15   2.991  -7.613  -4.331
  124    HA   ALA  15           HA       ALA  15   5.067  -7.640  -2.438
  125   1HB   ALA  15          1HB       ALA  15   5.650  -5.445  -3.283
  126   2HB   ALA  15          2HB       ALA  15   4.067  -5.292  -4.046
  127   3HB   ALA  15          3HB       ALA  15   5.210  -6.508  -4.621
  128    H    VAL  16           H        VAL  16   2.229  -5.493  -2.666
  129    HA   VAL  16           HA       VAL  16   2.647  -4.081  -0.309
  130    HB   VAL  16           HB       VAL  16  -0.165  -4.690  -1.069
  131   1HG1  VAL  16          1HG1      VAL  16  -0.114  -2.096  -0.930
  132   2HG1  VAL  16          2HG1      VAL  16   1.441  -2.360  -0.144
  133   3HG1  VAL  16          3HG1      VAL  16  -0.024  -3.056   0.546
  134   1HG2  VAL  16          1HG2      VAL  16   1.852  -3.542  -2.925
  135   2HG2  VAL  16          2HG2      VAL  16   0.259  -2.787  -2.870
  136   3HG2  VAL  16          3HG2      VAL  16   0.412  -4.498  -3.270
  137    H    ALA  17           H        ALA  17   0.965  -7.134  -0.879
  138    HA   ALA  17           HA       ALA  17  -0.069  -7.411   1.747
  139   1HB   ALA  17          1HB       ALA  17  -0.481  -8.705  -0.600
  140   2HB   ALA  17          2HB       ALA  17  -1.017  -9.296   0.972
  141   3HB   ALA  17          3HB       ALA  17   0.489  -9.891   0.274
  142    H    LYS  18           H        LYS  18   2.987  -8.221   0.260
  143    HA   LYS  18           HA       LYS  18   3.872  -9.887   2.433
  144   1HB   LYS  18          2HB       LYS  18   4.614  -9.768  -0.130
  145   2HB   LYS  18          1HB       LYS  18   5.823  -8.681   0.542
  146   1HG   LYS  18          2HG       LYS  18   6.929 -10.339   1.594
  147   2HG   LYS  18          1HG       LYS  18   5.456 -11.239   1.960
  148   1HD   LYS  18          2HD       LYS  18   5.396 -12.230  -0.156
  149   2HD   LYS  18          1HD       LYS  18   6.494 -11.033  -0.847
  150   1HE   LYS  18          2HE       LYS  18   8.024 -12.666  -0.587
  151   2HE   LYS  18          1HE       LYS  18   8.070 -12.082   1.075
  152   1HZ   LYS  18          1HZ       LYS  18   6.506 -13.785   1.706
  153   2HZ   LYS  18          2HZ       LYS  18   7.832 -14.500   0.937
  154   3HZ   LYS  18          3HZ       LYS  18   6.370 -14.316   0.105
  155    H    ALA  19           H        ALA  19   4.304  -6.543   1.424
  156    HA   ALA  19           HA       ALA  19   6.288  -5.939   3.392
  157   1HB   ALA  19          1HB       ALA  19   5.928  -4.715   1.211
  158   2HB   ALA  19          2HB       ALA  19   6.152  -3.704   2.637
  159   3HB   ALA  19          3HB       ALA  19   4.536  -3.948   1.975
  160    H    LEU  20           H        LEU  20   2.789  -5.477   3.148
  161    HA   LEU  20           HA       LEU  20   2.622  -4.153   5.699
  162   1HB   LEU  20          2HB       LEU  20   0.575  -5.161   3.741
  163   2HB   LEU  20          1HB       LEU  20   0.118  -4.509   5.303
  164    HG   LEU  20           HG       LEU  20   1.623  -3.011   3.157
  165   1HD1  LEU  20          1HD1      LEU  20  -0.493  -1.668   3.074
  166   2HD1  LEU  20          2HD1      LEU  20  -1.251  -2.931   4.045
  167   3HD1  LEU  20          3HD1      LEU  20  -0.623  -3.309   2.440
  168   1HD2  LEU  20          1HD2      LEU  20   2.331  -2.009   5.110
  169   2HD2  LEU  20          2HD2      LEU  20   0.820  -2.343   5.955
  170   3HD2  LEU  20          3HD2      LEU  20   0.885  -1.073   4.734
  171    H    GLY  21           H        GLY  21   2.162  -7.397   4.453
  172   1HA   GLY  21          2HA       GLY  21   2.492  -9.311   5.844
  173   2HA   GLY  21          1HA       GLY  21   1.973  -8.356   7.225
  174    H    ILE  22           H        ILE  22   0.209  -8.269   4.225
  175    HA   ILE  22           HA       ILE  22  -1.948  -9.820   5.506
  176    HB   ILE  22           HB       ILE  22  -3.539  -8.505   4.148
  177   1HG1  ILE  22          2HG1      ILE  22  -1.117  -6.825   3.462
  178   2HG1  ILE  22          1HG1      ILE  22  -1.965  -7.885   2.341
  179   1HG2  ILE  22          1HG2      ILE  22  -3.560  -7.580   6.206
  180   2HG2  ILE  22          2HG2      ILE  22  -2.825  -6.217   5.362
  181   3HG2  ILE  22          3HG2      ILE  22  -1.812  -7.360   6.244
  182   1HD1  ILE  22          1HD1      ILE  22  -3.591  -5.844   3.718
  183   2HD1  ILE  22          2HD1      ILE  22  -3.674  -6.442   2.059
  184   3HD1  ILE  22          3HD1      ILE  22  -2.435  -5.272   2.516
  185    H    SER  23           H        SER  23  -3.618 -10.426   3.611
  186    HA   SER  23           HA       SER  23  -2.087 -12.155   1.844
  187   1HB   SER  23          2HB       SER  23  -3.906 -13.205   3.035
  188   2HB   SER  23          1HB       SER  23  -5.046 -11.992   2.454
  189    HG   SER  23           HG       SER  23  -5.084 -14.011   1.282
  190    H    ASP  24           H        ASP  24  -2.720 -12.386  -0.433
  191    HA   ASP  24           HA       ASP  24  -2.594  -9.948  -1.809
  192   1HB   ASP  24          2HB       ASP  24  -1.969 -12.340  -2.593
  193   2HB   ASP  24          1HB       ASP  24  -3.659 -12.460  -3.075
  194    H    ALA  25           H        ALA  25  -5.305 -11.913  -0.808
  195    HA   ALA  25           HA       ALA  25  -7.280 -10.735  -2.450
  196   1HB   ALA  25          1HB       ALA  25  -8.813 -11.572  -0.522
  197   2HB   ALA  25          2HB       ALA  25  -7.337 -12.333   0.072
  198   3HB   ALA  25          3HB       ALA  25  -7.955 -12.738  -1.530
  199    H    ALA  26           H        ALA  26  -6.132  -9.986   0.816
  200    HA   ALA  26           HA       ALA  26  -8.004  -8.009   1.455
  201   1HB   ALA  26          1HB       ALA  26  -6.780  -7.692   3.325
  202   2HB   ALA  26          2HB       ALA  26  -5.256  -7.597   2.443
  203   3HB   ALA  26          3HB       ALA  26  -5.978  -9.168   2.791
  204    H    VAL  27           H        VAL  27  -5.123  -7.900  -0.515
  205    HA   VAL  27           HA       VAL  27  -4.966  -5.042  -0.632
  206    HB   VAL  27           HB       VAL  27  -3.745  -7.062  -2.519
  207   1HG1  VAL  27          1HG1      VAL  27  -2.104  -5.256  -2.941
  208   2HG1  VAL  27          2HG1      VAL  27  -3.089  -4.173  -1.958
  209   3HG1  VAL  27          3HG1      VAL  27  -3.740  -4.842  -3.456
  210   1HG2  VAL  27          1HG2      VAL  27  -1.726  -6.862  -1.144
  211   2HG2  VAL  27          2HG2      VAL  27  -3.078  -7.517  -0.220
  212   3HG2  VAL  27          3HG2      VAL  27  -2.601  -5.831  -0.012
  213    H    SER  28           H        SER  28  -6.136  -7.572  -2.838
  214    HA   SER  28           HA       SER  28  -6.939  -5.800  -4.893
  215   1HB   SER  28          2HB       SER  28  -6.785  -8.563  -4.578
  216   2HB   SER  28          1HB       SER  28  -8.509  -8.250  -4.783
  217    HG   SER  28           HG       SER  28  -7.989  -8.193  -6.822
  218    H    GLN  29           H        GLN  29  -8.595  -7.156  -2.096
  219    HA   GLN  29           HA       GLN  29 -11.200  -6.381  -2.732
  220   1HB   GLN  29          2HB       GLN  29  -9.752  -7.092  -0.243
  221   2HB   GLN  29          1HB       GLN  29 -11.280  -6.250  -0.059
  222   1HG   GLN  29          2HG       GLN  29 -12.440  -7.974  -1.258
  223   2HG   GLN  29          1HG       GLN  29 -10.920  -8.775  -1.652
  224   1HE2  GLN  29          1HE2      GLN  29 -10.510 -10.483  -0.463
  225   2HE2  GLN  29          2HE2      GLN  29 -11.010 -10.737   1.171
  226    H    TRP  30           H        TRP  30  -8.498  -4.496  -1.783
  227    HA   TRP  30           HA       TRP  30  -9.621  -2.361  -0.441
  228   1HB   TRP  30          2HB       TRP  30  -7.337  -2.485  -2.406
  229   2HB   TRP  30          1HB       TRP  30  -7.774  -0.996  -1.574
  230    HD1  TRP  30           HD       TRP  30  -8.443  -3.271   1.037
  231    HE1  TRP  30           1HE      TRP  30  -6.412  -3.692   2.560
  232    HE3  TRP  30           3HE      TRP  30  -4.751  -1.488  -2.019
  233    HZ2  TRP  30           2HZ      TRP  30  -3.614  -3.318   2.477
  234    HZ3  TRP  30           3HZ      TRP  30  -2.425  -1.555  -1.222
  235    HH2  TRP  30           HH       TRP  30  -1.870  -2.451   0.980
  236    H    LYS  31           H        LYS  31 -10.190  -0.215  -1.180
  237    HA   LYS  31           HA       LYS  31 -11.470  -0.227  -3.833
  238   1HB   LYS  31          2HB       LYS  31 -13.260   1.108  -2.943
  239   2HB   LYS  31          1HB       LYS  31 -13.070  -0.314  -1.929
  240   1HG   LYS  31          2HG       LYS  31 -11.490   1.411  -0.607
  241   2HG   LYS  31          1HG       LYS  31 -12.660   2.531  -1.298
  242   1HD   LYS  31          2HD       LYS  31 -14.450   0.943  -0.392
  243   2HD   LYS  31          1HD       LYS  31 -13.150   0.212   0.551
  244   1HE   LYS  31          2HE       LYS  31 -13.000   1.974   1.956
  245   2HE   LYS  31          1HE       LYS  31 -13.320   3.149   0.682
  246   1HZ   LYS  31          1HZ       LYS  31 -15.110   3.105   2.291
  247   2HZ   LYS  31          2HZ       LYS  31 -15.350   1.451   2.030
  248   3HZ   LYS  31          3HZ       LYS  31 -15.670   2.558   0.791
  249    H    GLU  32           H        GLU  32 -12.230   2.477  -3.834
  250    HA   GLU  32           HA       GLU  32 -10.110   3.758  -4.978
  251   1HB   GLU  32          2HB       GLU  32 -12.740   4.434  -4.300
  252   2HB   GLU  32          1HB       GLU  32 -11.750   5.668  -3.529
  253   1HG   GLU  32          2HG       GLU  32 -10.840   6.373  -5.571
  254   2HG   GLU  32          1HG       GLU  32 -11.400   4.928  -6.412
  255    H    VAL  33           H        VAL  33 -10.940   3.651  -1.559
  256    HA   VAL  33           HA       VAL  33  -8.389   4.996  -0.970
  257    HB   VAL  33           HB       VAL  33 -10.850   5.093   0.772
  258   1HG1  VAL  33          1HG1      VAL  33  -9.680   6.558   2.159
  259   2HG1  VAL  33          2HG1      VAL  33  -8.452   6.880   0.935
  260   3HG1  VAL  33          3HG1      VAL  33  -8.491   5.320   1.756
  261   1HG2  VAL  33          1HG2      VAL  33 -11.250   7.307   0.009
  262   2HG2  VAL  33          2HG2      VAL  33 -11.080   6.297  -1.426
  263   3HG2  VAL  33          3HG2      VAL  33  -9.755   7.333  -0.914
  264    H    ILE  34           H        ILE  34  -6.976   3.645  -0.102
  265    HA   ILE  34           HA       ILE  34  -7.495   1.044   0.721
  266    HB   ILE  34           HB       ILE  34  -5.274   1.259   1.986
  267   1HG1  ILE  34          2HG1      ILE  34  -5.143   3.876   0.481
  268   2HG1  ILE  34          1HG1      ILE  34  -5.492   3.772   2.203
  269   1HG2  ILE  34          1HG2      ILE  34  -5.746   0.500  -0.440
  270   2HG2  ILE  34          2HG2      ILE  34  -4.089   0.869   0.038
  271   3HG2  ILE  34          3HG2      ILE  34  -5.022   2.045  -0.886
  272   1HD1  ILE  34          1HD1      ILE  34  -3.290   2.493   2.381
  273   2HD1  ILE  34          2HD1      ILE  34  -3.215   4.231   2.086
  274   3HD1  ILE  34          3HD1      ILE  34  -2.960   3.100   0.759
  275    HA   PRO  35           HA       PRO  35  -9.142   0.974   4.791
  276   1HB   PRO  35          2HB       PRO  35  -6.747  -0.573   5.653
  277   2HB   PRO  35          1HB       PRO  35  -8.462  -0.960   5.831
  278   1HG   PRO  35          2HG       PRO  35  -6.980  -2.199   4.001
  279   2HG   PRO  35          1HG       PRO  35  -8.653  -1.725   3.648
  280   1HD   PRO  35          2HD       PRO  35  -6.096  -0.463   2.762
  281   2HD   PRO  35          1HD       PRO  35  -7.627  -0.650   1.884
  282    H    GLU  36           H        GLU  36  -8.881   1.790   6.915
  283    HA   GLU  36           HA       GLU  36  -7.209   4.067   7.095
  284   1HB   GLU  36          2HB       GLU  36  -9.501   3.280   8.317
  285   2HB   GLU  36          1HB       GLU  36  -8.337   2.990   9.601
  286   1HG   GLU  36          2HG       GLU  36  -7.554   5.329   9.344
  287   2HG   GLU  36          1HG       GLU  36  -8.848   5.586   8.176
  288    H    LYS  37           H        LYS  37  -6.932   0.785   8.304
  289    HA   LYS  37           HA       LYS  37  -4.611   1.463   9.918
  290   1HB   LYS  37          2HB       LYS  37  -4.652  -0.888  10.606
  291   2HB   LYS  37          1HB       LYS  37  -6.226  -0.132  10.815
  292   1HG   LYS  37          2HG       LYS  37  -7.072  -1.210   8.848
  293   2HG   LYS  37          1HG       LYS  37  -5.473  -1.845   8.459
  294   1HD   LYS  37          2HD       LYS  37  -5.518  -3.122  10.584
  295   2HD   LYS  37          1HD       LYS  37  -7.167  -2.555  10.851
  296   1HE   LYS  37          2HE       LYS  37  -7.372  -3.546   8.342
  297   2HE   LYS  37          1HE       LYS  37  -6.142  -4.613   9.014
  298   1HZ   LYS  37          1HZ       LYS  37  -7.590  -5.490  10.519
  299   2HZ   LYS  37          2HZ       LYS  37  -8.678  -5.141   9.271
  300   3HZ   LYS  37          3HZ       LYS  37  -8.553  -4.099  10.597
  301    H    ASP  38           H        ASP  38  -5.299   0.204   6.775
  302    HA   ASP  38           HA       ASP  38  -2.728  -1.053   6.444
  303   1HB   ASP  38          2HB       ASP  38  -5.058  -0.505   4.632
  304   2HB   ASP  38          1HB       ASP  38  -3.513  -1.005   3.955
  305    H    ALA  39           H        ALA  39  -4.251   1.985   5.496
  306    HA   ALA  39           HA       ALA  39  -2.136   2.943   3.893
  307   1HB   ALA  39          1HB       ALA  39  -4.483   3.831   3.938
  308   2HB   ALA  39          2HB       ALA  39  -3.218   5.061   3.976
  309   3HB   ALA  39          3HB       ALA  39  -4.075   4.633   5.457
  310    H    TYR  40           H        TYR  40  -2.655   2.862   7.332
  311    HA   TYR  40           HA       TYR  40  -0.790   4.872   8.052
  312   1HB   TYR  40          2HB       TYR  40  -2.504   4.101   9.611
  313   2HB   TYR  40          1HB       TYR  40  -1.792   2.485   9.621
  314    HD1  TYR  40           1HD      TYR  40  -0.223   1.935  11.240
  315    HD2  TYR  40           2HD      TYR  40  -0.968   6.038  10.400
  316    HE1  TYR  40           1HE      TYR  40   1.223   2.578  13.125
  317    HE2  TYR  40           2HE      TYR  40   0.475   6.694  12.279
  318    HH   TYR  40           HH       TYR  40   1.231   5.038  14.683
  319    H    ARG  41           H        ARG  41  -0.515   1.316   8.173
  320    HA   ARG  41           HA       ARG  41   2.224   1.266   8.793
  321   1HB   ARG  41          2HB       ARG  41   0.644  -0.845   7.315
  322   2HB   ARG  41          1HB       ARG  41   2.153  -1.085   8.187
  323   1HG   ARG  41          2HG       ARG  41   1.137  -0.874  10.262
  324   2HG   ARG  41          1HG       ARG  41  -0.274  -0.049   9.596
  325   1HD   ARG  41          2HD       ARG  41  -1.328  -2.001   9.506
  326   2HD   ARG  41          1HD       ARG  41  -0.141  -2.560   8.329
  327    HE   ARG  41           HE       ARG  41   0.846  -3.821   9.969
  328   1HH1  ARG  41          1HH1      ARG  41  -1.343  -1.542  11.448
  329   2HH1  ARG  41          2HH1      ARG  41  -1.221  -2.255  13.021
  330   1HH2  ARG  41          1HH2      ARG  41   1.010  -4.761  12.036
  331   2HH2  ARG  41          2HH2      ARG  41   0.115  -4.084  13.355
  332    H    LEU  42           H        LEU  42   0.526   1.580   5.766
  333    HA   LEU  42           HA       LEU  42   2.520   0.829   3.971
  334   1HB   LEU  42          2HB       LEU  42   0.200   2.707   3.843
  335   2HB   LEU  42          1HB       LEU  42   1.356   2.695   2.524
  336    HG   LEU  42           HG       LEU  42  -0.136   0.253   3.480
  337   1HD1  LEU  42          1HD1      LEU  42  -0.796   1.333   0.852
  338   2HD1  LEU  42          2HD1      LEU  42  -1.254   2.390   2.187
  339   3HD1  LEU  42          3HD1      LEU  42  -1.850   0.731   2.132
  340   1HD2  LEU  42          1HD2      LEU  42   2.174   0.370   2.049
  341   2HD2  LEU  42          2HD2      LEU  42   0.964   0.374   0.767
  342   3HD2  LEU  42          3HD2      LEU  42   0.992  -0.935   1.948
  343    H    GLU  43           H        GLU  43   1.826   4.064   5.298
  344    HA   GLU  43           HA       GLU  43   3.794   5.505   4.009
  345   1HB   GLU  43          2HB       GLU  43   1.936   6.095   5.885
  346   2HB   GLU  43          1HB       GLU  43   3.395   6.169   6.864
  347   1HG   GLU  43          2HG       GLU  43   4.012   7.572   4.537
  348   2HG   GLU  43          1HG       GLU  43   2.367   8.054   4.948
  349    H    ILE  44           H        ILE  44   4.060   3.722   7.072
  350    HA   ILE  44           HA       ILE  44   6.803   4.363   7.478
  351    HB   ILE  44           HB       ILE  44   5.275   2.038   8.644
  352   1HG1  ILE  44          2HG1      ILE  44   5.248   4.959   9.233
  353   2HG1  ILE  44          1HG1      ILE  44   3.953   3.774   9.366
  354   1HG2  ILE  44          1HG2      ILE  44   7.712   3.513   9.637
  355   2HG2  ILE  44          2HG2      ILE  44   7.708   1.913   8.895
  356   3HG2  ILE  44          3HG2      ILE  44   6.908   2.168  10.446
  357   1HD1  ILE  44          1HD1      ILE  44   6.249   4.100  11.280
  358   2HD1  ILE  44          2HD1      ILE  44   4.947   2.919  11.421
  359   3HD1  ILE  44          3HD1      ILE  44   4.591   4.642  11.539
  360    H    VAL  45           H        VAL  45   5.125   1.513   6.189
  361    HA   VAL  45           HA       VAL  45   7.378  -0.109   5.831
  362    HB   VAL  45           HB       VAL  45   4.709  -0.468   5.483
  363   1HG1  VAL  45          1HG1      VAL  45   5.844  -0.691   2.705
  364   2HG1  VAL  45          2HG1      VAL  45   4.836   0.648   3.250
  365   3HG1  VAL  45          3HG1      VAL  45   4.184  -0.989   3.221
  366   1HG2  VAL  45          1HG2      VAL  45   6.643  -2.096   5.915
  367   2HG2  VAL  45          2HG2      VAL  45   6.665  -2.317   4.165
  368   3HG2  VAL  45          3HG2      VAL  45   5.212  -2.709   5.086
  369    H    THR  46           H        THR  46   5.945   2.350   3.757
  370    HA   THR  46           HA       THR  46   7.805   1.795   1.608
  371    HB   THR  46           HB       THR  46   6.620   3.748   0.537
  372    HG1  THR  46           1HG      THR  46   4.968   4.679   1.548
  373   1HG2  THR  46          1HG2      THR  46   4.871   2.501  -0.208
  374   2HG2  THR  46          2HG2      THR  46   4.506   1.859   1.394
  375   3HG2  THR  46          3HG2      THR  46   5.882   1.231   0.486
  376    H    ALA  47           H        ALA  47   9.048   2.604   4.042
  377    HA   ALA  47           HA       ALA  47  10.516   4.113   4.927
  378   1HB   ALA  47          1HB       ALA  47  11.283   5.110   2.259
  379   2HB   ALA  47          2HB       ALA  47  11.362   3.363   2.491
  380   3HB   ALA  47          3HB       ALA  47  12.275   4.437   3.552
  381    H    GLY  48           H        GLY  48   7.794   5.141   4.428
  382   1HA   GLY  48          2HA       GLY  48   6.729   7.154   4.774
  383   2HA   GLY  48          1HA       GLY  48   8.311   7.880   5.005
  384    H    ALA  49           H        ALA  49   7.388   6.160   2.093
  385    HA   ALA  49           HA       ALA  49   8.136   8.337   0.431
  386   1HB   ALA  49          1HB       ALA  49   8.446   6.387  -0.697
  387   2HB   ALA  49          2HB       ALA  49   6.836   6.788  -1.295
  388   3HB   ALA  49          3HB       ALA  49   7.025   5.620   0.015
  389    H    LEU  50           H        LEU  50   4.998   6.958   1.347
  390    HA   LEU  50           HA       LEU  50   3.617   9.131  -0.032
  391   1HB   LEU  50          2HB       LEU  50   2.700   6.573   1.255
  392   2HB   LEU  50          1HB       LEU  50   1.563   7.822   0.788
  393    HG   LEU  50           HG       LEU  50   3.422   7.035  -1.347
  394   1HD1  LEU  50          1HD1      LEU  50   1.641   5.013  -1.626
  395   2HD1  LEU  50          2HD1      LEU  50   1.871   5.020   0.123
  396   3HD1  LEU  50          3HD1      LEU  50   3.259   4.830  -0.948
  397   1HD2  LEU  50          1HD2      LEU  50   0.996   6.786  -2.392
  398   2HD2  LEU  50          2HD2      LEU  50   1.755   8.359  -2.155
  399   3HD2  LEU  50          3HD2      LEU  50   0.568   7.768  -0.991
  400    H    LYS  51           H        LYS  51   1.554   9.878   1.273
  401    HA   LYS  51           HA       LYS  51   2.396  10.523   4.020
  402   1HB   LYS  51          2HB       LYS  51   1.289  12.757   3.679
  403   2HB   LYS  51          1HB       LYS  51   2.765  12.510   2.757
  404   1HG   LYS  51          2HG       LYS  51   1.633  12.333   0.743
  405   2HG   LYS  51          1HG       LYS  51   0.101  11.942   1.527
  406   1HD   LYS  51          2HD       LYS  51   1.422  14.605   1.933
  407   2HD   LYS  51          1HD       LYS  51   0.400  14.297   0.527
  408   1HE   LYS  51          2HE       LYS  51  -1.509  14.166   1.771
  409   2HE   LYS  51          1HE       LYS  51  -0.666  13.565   3.199
  410   1HZ   LYS  51          1HZ       LYS  51   0.270  15.833   3.462
  411   2HZ   LYS  51          2HZ       LYS  51  -1.410  15.765   3.641
  412   3HZ   LYS  51          3HZ       LYS  51  -0.738  16.361   2.209
  413    H    TYR  52           H        TYR  52   0.958  10.001   5.528
  414    HA   TYR  52           HA       TYR  52  -1.651   9.032   4.740
  415   1HB   TYR  52          2HB       TYR  52  -0.197   7.900   6.465
  416   2HB   TYR  52          1HB       TYR  52  -0.530   9.257   7.537
  417    HD1  TYR  52           1HD      TYR  52  -3.112   9.789   7.849
  418    HD2  TYR  52           2HD      TYR  52  -1.544   6.032   6.617
  419    HE1  TYR  52           1HE      TYR  52  -5.173   8.690   8.606
  420    HE2  TYR  52           2HE      TYR  52  -3.603   4.920   7.370
  421    HH   TYR  52           HH       TYR  52  -6.390   6.746   8.466
  422    H    GLN  53           H        GLN  53  -3.318  10.352   4.521
  423    HA   GLN  53           HA       GLN  53  -3.433  12.779   6.183
  424   1HB   GLN  53          2HB       GLN  53  -4.918  13.710   4.471
  425   2HB   GLN  53          1HB       GLN  53  -3.380  13.216   3.775
  426   1HG   GLN  53          2HG       GLN  53  -4.893  10.971   3.450
  427   2HG   GLN  53          1HG       GLN  53  -6.083  12.254   3.241
  428   1HE2  GLN  53          1HE2      GLN  53  -6.266  13.080   1.286
  429   2HE2  GLN  53          2HE2      GLN  53  -5.084  12.990   0.029
  430    H    GLU  54           H        GLU  54  -5.179  13.176   7.459
  431    HA   GLU  54           HA       GLU  54  -6.989  10.943   7.894
  432   1HB   GLU  54          2HB       GLU  54  -5.877  13.063   9.506
  433   2HB   GLU  54          1HB       GLU  54  -7.626  13.019   9.680
  434   1HG   GLU  54          2HG       GLU  54  -7.465  10.607  10.211
  435   2HG   GLU  54          1HG       GLU  54  -5.709  10.751  10.157
  436    H    ASN  55           H        ASN  55  -7.503  12.135   5.475
  437    HA   ASN  55           HA       ASN  55  -9.731  13.968   5.842
  438   1HB   ASN  55          2HB       ASN  55  -8.293  12.908   3.416
  439   2HB   ASN  55          1HB       ASN  55  -9.793  13.821   3.280
  440   1HD2  ASN  55          1HD2      ASN  55  -6.639  14.143   2.940
  441   2HD2  ASN  55          2HD2      ASN  55  -6.415  15.784   3.430
  442    H    ALA  56           H        ALA  56  -9.414  11.159   3.687
  443    HA   ALA  56           HA       ALA  56 -12.180  10.561   3.793
  444   1HB   ALA  56          1HB       ALA  56  -9.777   9.299   2.601
  445   2HB   ALA  56          2HB       ALA  56 -11.290   9.779   1.847
  446   3HB   ALA  56          3HB       ALA  56 -11.210   8.298   2.801
  447    H    TYR  57           H        TYR  57  -9.649   9.905   5.949
  448    HA   TYR  57           HA       TYR  57 -10.830   7.480   7.025
  449   1HB   TYR  57          2HB       TYR  57  -8.451   9.075   7.988
  450   2HB   TYR  57          1HB       TYR  57  -8.924   7.476   8.552
  451    HD1  TYR  57           1HD      TYR  57  -6.405   8.808   6.927
  452    HD2  TYR  57           2HD      TYR  57  -9.551   6.080   6.061
  453    HE1  TYR  57           1HE      TYR  57  -5.029   7.790   5.158
  454    HE2  TYR  57           2HE      TYR  57  -8.186   5.055   4.292
  455    HH   TYR  57           HH       TYR  57  -6.326   5.491   2.914
  456    H    ARG  58           H        ARG  58 -11.910  10.438   7.182
  457    HA   ARG  58           HA       ARG  58 -12.530  10.315  10.058
  458   1HB   ARG  58          2HB       ARG  58 -11.170  12.349   8.781
  459   2HB   ARG  58          1HB       ARG  58 -12.830  12.947   8.808
  460   1HG   ARG  58          2HG       ARG  58 -11.530  13.691  10.747
  461   2HG   ARG  58          1HG       ARG  58 -12.920  12.698  11.211
  462   1HD   ARG  58          2HD       ARG  58 -10.380  11.261  10.758
  463   2HD   ARG  58          1HD       ARG  58 -10.420  12.334  12.156
  464    HE   ARG  58           HE       ARG  58 -11.790   9.837  11.857
  465   1HH1  ARG  58          1HH1      ARG  58 -11.870  12.941  13.451
  466   2HH1  ARG  58          2HH1      ARG  58 -12.820  12.374  14.782
  467   1HH2  ARG  58          1HH2      ARG  58 -13.040   9.091  13.607
  468   2HH2  ARG  58          2HH2      ARG  58 -13.490  10.189  14.871
  469    H    GLN  59           H        GLN  59 -14.460   9.244   9.896
  470    HA   GLN  59           HA       GLN  59 -16.490  10.200   8.047
  471   1HB   GLN  59          2HB       GLN  59 -17.840   8.315   9.043
  472   2HB   GLN  59          1HB       GLN  59 -16.370   7.832   8.220
  473   1HG   GLN  59          2HG       GLN  59 -15.460   6.992  10.081
  474   2HG   GLN  59          1HG       GLN  59 -16.020   8.333  11.078
  475   1HE2  GLN  59          1HE2      GLN  59 -16.220   6.232  12.435
  476   2HE2  GLN  59          2HE2      GLN  59 -17.790   5.510  12.438
  477    H    ALA  60           H        ALA  60 -16.170  12.301   9.453
  478    HA   ALA  60           HA       ALA  60 -18.000  12.239  11.753
  479   1HB   ALA  60          1HB       ALA  60 -16.580  14.743  11.167
  480   2HB   ALA  60          2HB       ALA  60 -15.540  13.369  11.555
  481   3HB   ALA  60          3HB       ALA  60 -16.790  13.883  12.694
  482    H    ALA  61           H        ALA  61 -18.930  12.116   8.997
  483    HA   ALA  61           HA       ALA  61 -20.780  14.361   9.120
  484   1HB   ALA  61          1HB       ALA  61 -18.600  14.661   7.530
  485   2HB   ALA  61          2HB       ALA  61 -20.160  15.436   7.246
  486   3HB   ALA  61          3HB       ALA  61 -19.750  13.944   6.401
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  -5.910   7.220   1.861
    2   2H    MET   1          2HT       MET   1  -6.028   8.291   0.524
    3   3H    MET   1          3HT       MET   1  -4.819   8.534   1.718
    4    HA   MET   1           HA       MET   1  -3.752   7.608  -0.089
    5   1HB   MET   1          2HB       MET   1  -3.970   6.348   2.419
    6   2HB   MET   1          1HB       MET   1  -3.963   5.049   1.234
    7   1HG   MET   1          2HG       MET   1  -1.739   5.228   1.477
    8   2HG   MET   1          1HG       MET   1  -1.935   6.516   0.289
    9   1HE   MET   1          1HE       MET   1   0.140   6.514   3.972
   10   2HE   MET   1          2HE       MET   1   0.884   7.112   2.490
   11   3HE   MET   1          3HE       MET   1   0.050   5.558   2.491
   12    H    TYR   2           H        TYR   2  -4.221   7.003  -2.092
   13    HA   TYR   2           HA       TYR   2  -6.539   5.326  -2.608
   14   1HB   TYR   2          2HB       TYR   2  -4.799   7.113  -4.235
   15   2HB   TYR   2          1HB       TYR   2  -5.619   5.795  -5.066
   16    HD1  TYR   2           1HD      TYR   2  -6.793   7.921  -2.237
   17    HD2  TYR   2           2HD      TYR   2  -7.303   6.811  -6.314
   18    HE1  TYR   2           1HE      TYR   2  -8.843   9.273  -2.343
   19    HE2  TYR   2           2HE      TYR   2  -9.355   8.161  -6.430
   20    HH   TYR   2           HH       TYR   2 -10.860   9.458  -3.637
   21    H    LYS   3           H        LYS   3  -6.495   3.346  -3.636
   22    HA   LYS   3           HA       LYS   3  -4.348   1.641  -3.045
   23   1HB   LYS   3          2HB       LYS   3  -6.651   0.848  -3.311
   24   2HB   LYS   3          1HB       LYS   3  -6.603   1.255  -5.021
   25   1HG   LYS   3          2HG       LYS   3  -4.460  -0.373  -4.849
   26   2HG   LYS   3          1HG       LYS   3  -5.491  -1.058  -3.592
   27   1HD   LYS   3          2HD       LYS   3  -7.354  -0.973  -5.359
   28   2HD   LYS   3          1HD       LYS   3  -6.048  -0.757  -6.526
   29   1HE   LYS   3          2HE       LYS   3  -5.603  -2.941  -4.630
   30   2HE   LYS   3          1HE       LYS   3  -7.019  -3.163  -5.655
   31   1HZ   LYS   3          1HZ       LYS   3  -5.626  -3.860  -7.215
   32   2HZ   LYS   3          2HZ       LYS   3  -4.267  -3.398  -6.322
   33   3HZ   LYS   3          3HZ       LYS   3  -5.029  -2.282  -7.337
   34    H    LYS   4           H        LYS   4  -5.306   3.216  -6.069
   35    HA   LYS   4           HA       LYS   4  -3.540   2.007  -7.820
   36   1HB   LYS   4          2HB       LYS   4  -5.387   3.694  -8.322
   37   2HB   LYS   4          1HB       LYS   4  -4.214   4.942  -7.928
   38   1HG   LYS   4          2HG       LYS   4  -2.814   4.314  -9.739
   39   2HG   LYS   4          1HG       LYS   4  -3.751   2.849 -10.037
   40   1HD   LYS   4          2HD       LYS   4  -5.674   4.758 -10.235
   41   2HD   LYS   4          1HD       LYS   4  -4.266   5.625 -10.852
   42   1HE   LYS   4          2HE       LYS   4  -4.812   2.861 -11.829
   43   2HE   LYS   4          1HE       LYS   4  -5.786   4.194 -12.450
   44   1HZ   LYS   4          1HZ       LYS   4  -2.860   3.812 -12.673
   45   2HZ   LYS   4          2HZ       LYS   4  -3.590   5.312 -12.951
   46   3HZ   LYS   4          3HZ       LYS   4  -3.993   3.985 -13.918
   47    H    ASP   5           H        ASP   5  -2.891   4.318  -5.320
   48    HA   ASP   5           HA       ASP   5  -0.349   5.167  -6.335
   49   1HB   ASP   5          2HB       ASP   5  -1.604   5.411  -3.595
   50   2HB   ASP   5          1HB       ASP   5  -0.064   6.140  -4.043
   51    H    VAL   6           H        VAL   6  -1.383   2.931  -3.768
   52    HA   VAL   6           HA       VAL   6   1.094   2.167  -2.823
   53    HB   VAL   6           HB       VAL   6  -1.162   0.204  -3.102
   54   1HG1  VAL   6          1HG1      VAL   6   1.044   0.711  -1.148
   55   2HG1  VAL   6          2HG1      VAL   6   0.703  -0.749  -2.075
   56   3HG1  VAL   6          3HG1      VAL   6  -0.347  -0.289  -0.736
   57   1HG2  VAL   6          1HG2      VAL   6  -1.893   1.243  -0.832
   58   2HG2  VAL   6          2HG2      VAL   6  -2.413   1.998  -2.337
   59   3HG2  VAL   6          3HG2      VAL   6  -1.065   2.683  -1.429
   60    H    ILE   7           H        ILE   7  -0.875   0.472  -5.277
   61    HA   ILE   7           HA       ILE   7   1.048  -1.448  -5.943
   62    HB   ILE   7           HB       ILE   7  -1.272  -0.322  -7.501
   63   1HG1  ILE   7          2HG1      ILE   7  -2.054  -2.747  -7.104
   64   2HG1  ILE   7          1HG1      ILE   7  -0.747  -2.835  -5.926
   65   1HG2  ILE   7          1HG2      ILE   7  -0.967  -2.228  -9.067
   66   2HG2  ILE   7          2HG2      ILE   7   0.600  -2.538  -8.319
   67   3HG2  ILE   7          3HG2      ILE   7   0.312  -1.017  -9.165
   68   1HD1  ILE   7          1HD1      ILE   7  -2.729  -0.617  -5.774
   69   2HD1  ILE   7          2HD1      ILE   7  -1.760  -1.350  -4.495
   70   3HD1  ILE   7          3HD1      ILE   7  -3.143  -2.218  -5.164
   71    H    ASP   8           H        ASP   8   0.764   1.885  -6.843
   72    HA   ASP   8           HA       ASP   8   2.454   1.724  -9.154
   73   1HB   ASP   8          2HB       ASP   8   0.898   3.760  -7.792
   74   2HB   ASP   8          1HB       ASP   8   2.495   4.368  -8.221
   75    H    HIS   9           H        HIS   9   2.861   2.156  -5.738
   76    HA   HIS   9           HA       HIS   9   5.633   2.967  -6.013
   77   1HB   HIS   9          2HB       HIS   9   4.493   4.089  -4.256
   78   2HB   HIS   9          1HB       HIS   9   3.803   2.591  -3.646
   79    HD1  HIS   9           1HD      HIS   9   6.249   4.950  -2.761
   80    HD2  HIS   9           2HD      HIS   9   6.157   0.795  -2.781
   81    HE1  HIS   9           1HE      HIS   9   8.052   4.227  -1.162
   82    HE2  HIS   9           2HE      HIS   9   7.915   1.714  -1.121
   83    H    PHE  10           H        PHE  10   3.728   0.144  -5.291
   84    HA   PHE  10           HA       PHE  10   6.060  -1.368  -4.439
   85   1HB   PHE  10          2HB       PHE  10   3.121  -2.012  -4.581
   86   2HB   PHE  10          1HB       PHE  10   4.333  -3.242  -4.231
   87    HD1  PHE  10           1HD      PHE  10   4.060   0.296  -3.114
   88    HD2  PHE  10           2HD      PHE  10   4.092  -3.810  -2.005
   89    HE1  PHE  10           1HE      PHE  10   4.018   0.943  -0.745
   90    HE2  PHE  10           2HE      PHE  10   4.051  -3.171   0.371
   91    HZ   PHE  10           HZ       PHE  10   4.014  -0.789   1.004
   92    H    GLY  11           H        GLY  11   3.644  -1.424  -7.041
   93   1HA   GLY  11          2HA       GLY  11   4.346  -1.849  -9.312
   94   2HA   GLY  11          1HA       GLY  11   5.596  -2.909  -8.676
   95    H    THR  12           H        THR  12   4.011  -4.373  -6.855
   96    HA   THR  12           HA       THR  12   2.115  -5.732  -8.653
   97    HB   THR  12           HB       THR  12   2.868  -7.865  -7.433
   98    HG1  THR  12           1HG      THR  12   5.009  -7.745  -6.640
   99   1HG2  THR  12          1HG2      THR  12   5.194  -7.713  -8.785
  100   2HG2  THR  12          2HG2      THR  12   4.269  -6.435  -9.575
  101   3HG2  THR  12          3HG2      THR  12   3.635  -8.080  -9.524
  102    H    GLN  13           H        GLN  13   0.789  -7.400  -7.274
  103    HA   GLN  13           HA       GLN  13  -0.470  -5.841  -5.170
  104   1HB   GLN  13          2HB       GLN  13  -1.240  -8.430  -6.523
  105   2HB   GLN  13          1HB       GLN  13  -2.176  -7.690  -5.233
  106   1HG   GLN  13          2HG       GLN  13  -2.255  -5.618  -6.725
  107   2HG   GLN  13          1HG       GLN  13  -1.705  -6.688  -8.015
  108   1HE2  GLN  13          1HE2      GLN  13  -4.185  -6.451  -5.498
  109   2HE2  GLN  13          2HE2      GLN  13  -5.448  -7.173  -6.429
  110    H    ARG  14           H        ARG  14   0.881  -9.114  -5.552
  111    HA   ARG  14           HA       ARG  14   0.577  -9.999  -2.943
  112   1HB   ARG  14          2HB       ARG  14   1.550 -11.127  -5.155
  113   2HB   ARG  14          1HB       ARG  14   3.079 -10.735  -4.378
  114   1HG   ARG  14          2HG       ARG  14   2.863 -12.372  -2.877
  115   2HG   ARG  14          1HG       ARG  14   1.164 -12.005  -2.583
  116   1HD   ARG  14          2HD       ARG  14   0.539 -13.206  -4.607
  117   2HD   ARG  14          1HD       ARG  14   2.236 -13.537  -4.950
  118    HE   ARG  14           HE       ARG  14   1.416 -14.493  -2.380
  119   1HH1  ARG  14          1HH1      ARG  14   1.459 -15.235  -5.790
  120   2HH1  ARG  14          2HH1      ARG  14   1.376 -16.947  -5.547
  121   1HH2  ARG  14          1HH2      ARG  14   1.309 -16.744  -2.057
  122   2HH2  ARG  14          2HH2      ARG  14   1.293 -17.804  -3.427
  123    H    ALA  15           H        ALA  15   2.929  -7.805  -4.297
  124    HA   ALA  15           HA       ALA  15   4.852  -7.887  -2.251
  125   1HB   ALA  15          1HB       ALA  15   4.155  -5.458  -3.886
  126   2HB   ALA  15          2HB       ALA  15   5.101  -6.809  -4.510
  127   3HB   ALA  15          3HB       ALA  15   5.706  -5.861  -3.151
  128    H    VAL  16           H        VAL  16   1.992  -5.831  -2.679
  129    HA   VAL  16           HA       VAL  16   2.350  -4.222  -0.422
  130    HB   VAL  16           HB       VAL  16  -0.444  -4.911  -1.143
  131   1HG1  VAL  16          1HG1      VAL  16  -0.376  -2.313  -1.304
  132   2HG1  VAL  16          2HG1      VAL  16   1.169  -2.499  -0.478
  133   3HG1  VAL  16          3HG1      VAL  16  -0.310  -3.105   0.268
  134   1HG2  VAL  16          1HG2      VAL  16   1.554  -3.939  -3.128
  135   2HG2  VAL  16          2HG2      VAL  16  -0.065  -3.239  -3.151
  136   3HG2  VAL  16          3HG2      VAL  16   0.148  -4.978  -3.357
  137    H    ALA  17           H        ALA  17   0.768  -7.350  -0.828
  138    HA   ALA  17           HA       ALA  17  -0.364  -7.506   1.752
  139   1HB   ALA  17          1HB       ALA  17  -0.461  -9.038  -0.524
  140   2HB   ALA  17          2HB       ALA  17  -1.187  -9.454   1.028
  141   3HB   ALA  17          3HB       ALA  17   0.411 -10.073   0.606
  142    H    LYS  18           H        LYS  18   2.838  -8.124   0.535
  143    HA   LYS  18           HA       LYS  18   3.668  -9.466   2.979
  144   1HB   LYS  18          2HB       LYS  18   4.866  -8.990   0.299
  145   2HB   LYS  18          1HB       LYS  18   5.969  -9.199   1.653
  146   1HG   LYS  18          2HG       LYS  18   3.803 -11.187   1.435
  147   2HG   LYS  18          1HG       LYS  18   5.028 -11.223   0.165
  148   1HD   LYS  18          2HD       LYS  18   6.745 -11.192   2.050
  149   2HD   LYS  18          1HD       LYS  18   5.397 -11.557   3.130
  150   1HE   LYS  18          2HE       LYS  18   5.185 -13.679   2.367
  151   2HE   LYS  18          1HE       LYS  18   5.636 -13.246   0.719
  152   1HZ   LYS  18          1HZ       LYS  18   7.210 -14.620   2.354
  153   2HZ   LYS  18          2HZ       LYS  18   7.745 -13.055   2.709
  154   3HZ   LYS  18          3HZ       LYS  18   7.804 -13.627   1.118
  155    H    ALA  19           H        ALA  19   2.903  -6.475   2.664
  156    HA   ALA  19           HA       ALA  19   5.367  -5.361   3.830
  157   1HB   ALA  19          1HB       ALA  19   4.017  -3.147   3.286
  158   2HB   ALA  19          2HB       ALA  19   3.256  -4.201   2.095
  159   3HB   ALA  19          3HB       ALA  19   5.003  -3.959   2.071
  160    H    LEU  20           H        LEU  20   1.845  -5.490   4.158
  161    HA   LEU  20           HA       LEU  20   2.039  -4.312   6.830
  162   1HB   LEU  20          2HB       LEU  20  -0.514  -5.101   5.469
  163   2HB   LEU  20          1HB       LEU  20  -0.267  -3.900   6.721
  164    HG   LEU  20           HG       LEU  20   1.263  -2.957   4.607
  165   1HD1  LEU  20          1HD1      LEU  20   0.072  -3.127   2.627
  166   2HD1  LEU  20          2HD1      LEU  20  -1.399  -3.661   3.439
  167   3HD1  LEU  20          3HD1      LEU  20  -0.029  -4.760   3.286
  168   1HD2  LEU  20          1HD2      LEU  20   0.007  -1.105   4.887
  169   2HD2  LEU  20          2HD2      LEU  20  -0.598  -1.986   6.291
  170   3HD2  LEU  20          3HD2      LEU  20  -1.515  -1.990   4.785
  171    H    GLY  21           H        GLY  21   1.320  -7.303   5.187
  172   1HA   GLY  21          2HA       GLY  21   1.769  -9.357   6.434
  173   2HA   GLY  21          1HA       GLY  21   1.012  -8.595   7.826
  174    H    ILE  22           H        ILE  22  -0.328  -8.280   4.624
  175    HA   ILE  22           HA       ILE  22  -2.561 -10.020   5.449
  176    HB   ILE  22           HB       ILE  22  -3.987  -8.688   3.934
  177   1HG1  ILE  22          2HG1      ILE  22  -1.560  -6.889   3.721
  178   2HG1  ILE  22          1HG1      ILE  22  -2.207  -7.890   2.423
  179   1HG2  ILE  22          1HG2      ILE  22  -4.373  -7.887   6.007
  180   2HG2  ILE  22          2HG2      ILE  22  -3.570  -6.451   5.373
  181   3HG2  ILE  22          3HG2      ILE  22  -2.663  -7.616   6.339
  182   1HD1  ILE  22          1HD1      ILE  22  -4.091  -6.001   3.676
  183   2HD1  ILE  22          2HD1      ILE  22  -3.892  -6.461   1.986
  184   3HD1  ILE  22          3HD1      ILE  22  -2.785  -5.300   2.720
  185    H    SER  23           H        SER  23  -3.890 -10.561   3.279
  186    HA   SER  23           HA       SER  23  -1.978 -12.017   1.610
  187   1HB   SER  23          2HB       SER  23  -4.124 -13.184   0.810
  188   2HB   SER  23          1HB       SER  23  -3.617 -13.482   2.473
  189    HG   SER  23           HG       SER  23  -5.784 -13.008   2.511
  190    H    ASP  24           H        ASP  24  -2.545 -12.243  -0.732
  191    HA   ASP  24           HA       ASP  24  -2.571  -9.738  -1.983
  192   1HB   ASP  24          2HB       ASP  24  -2.983 -11.098  -4.093
  193   2HB   ASP  24          1HB       ASP  24  -1.562 -11.541  -3.152
  194    H    ALA  25           H        ALA  25  -5.156 -11.935  -1.155
  195    HA   ALA  25           HA       ALA  25  -7.175 -10.926  -2.818
  196   1HB   ALA  25          1HB       ALA  25  -7.973 -11.825  -0.122
  197   2HB   ALA  25          2HB       ALA  25  -7.041 -12.972  -1.083
  198   3HB   ALA  25          3HB       ALA  25  -8.558 -12.327  -1.708
  199    H    ALA  26           H        ALA  26  -6.235 -10.015   0.486
  200    HA   ALA  26           HA       ALA  26  -8.224  -8.103   0.935
  201   1HB   ALA  26          1HB       ALA  26  -7.151  -8.535   2.882
  202   2HB   ALA  26          2HB       ALA  26  -6.228  -7.107   2.414
  203   3HB   ALA  26          3HB       ALA  26  -5.580  -8.718   2.104
  204    H    VAL  27           H        VAL  27  -5.103  -7.853  -0.675
  205    HA   VAL  27           HA       VAL  27  -5.122  -5.018  -0.926
  206    HB   VAL  27           HB       VAL  27  -3.625  -7.049  -2.591
  207   1HG1  VAL  27          1HG1      VAL  27  -3.110  -4.106  -2.167
  208   2HG1  VAL  27          2HG1      VAL  27  -3.749  -4.840  -3.638
  209   3HG1  VAL  27          3HG1      VAL  27  -2.109  -5.211  -3.107
  210   1HG2  VAL  27          1HG2      VAL  27  -1.729  -6.495  -1.068
  211   2HG2  VAL  27          2HG2      VAL  27  -3.054  -7.354  -0.285
  212   3HG2  VAL  27          3HG2      VAL  27  -2.868  -5.617  -0.048
  213    H    SER  28           H        SER  28  -6.185  -7.678  -2.987
  214    HA   SER  28           HA       SER  28  -6.761  -6.080  -5.260
  215   1HB   SER  28          2HB       SER  28  -7.958  -8.758  -4.514
  216   2HB   SER  28          1HB       SER  28  -7.914  -8.038  -6.122
  217    HG   SER  28           HG       SER  28  -5.637  -8.749  -4.583
  218    H    GLN  29           H        GLN  29  -8.521  -6.878  -2.364
  219    HA   GLN  29           HA       GLN  29 -11.070  -6.034  -3.374
  220   1HB   GLN  29          2HB       GLN  29 -10.030  -7.227  -0.930
  221   2HB   GLN  29          1HB       GLN  29 -11.240  -5.992  -0.602
  222   1HG   GLN  29          2HG       GLN  29 -12.920  -7.204  -1.491
  223   2HG   GLN  29          1HG       GLN  29 -11.890  -7.947  -2.713
  224   1HE2  GLN  29          1HE2      GLN  29 -11.250  -9.970  -2.407
  225   2HE2  GLN  29          2HE2      GLN  29 -11.410 -10.862  -0.936
  226    H    TRP  30           H        TRP  30  -8.333  -4.442  -2.109
  227    HA   TRP  30           HA       TRP  30  -9.375  -2.290  -0.724
  228   1HB   TRP  30          2HB       TRP  30  -6.958  -2.594  -2.480
  229   2HB   TRP  30          1HB       TRP  30  -7.352  -1.032  -1.770
  230    HD1  TRP  30           HD       TRP  30  -8.419  -3.243   0.819
  231    HE1  TRP  30           1HE      TRP  30  -6.583  -3.665   2.572
  232    HE3  TRP  30           3HE      TRP  30  -4.376  -1.566  -1.823
  233    HZ2  TRP  30           2HZ      TRP  30  -3.789  -3.334   2.803
  234    HZ3  TRP  30           3HZ      TRP  30  -2.158  -1.652  -0.764
  235    HH2  TRP  30           HH       TRP  30  -1.871  -2.519   1.501
  236    H    LYS  31           H        LYS  31 -10.670  -0.669  -1.237
  237    HA   LYS  31           HA       LYS  31 -11.440  -0.274  -4.009
  238   1HB   LYS  31          2HB       LYS  31 -13.240   1.068  -3.146
  239   2HB   LYS  31          1HB       LYS  31 -13.140  -0.399  -2.184
  240   1HG   LYS  31          2HG       LYS  31 -11.580   1.212  -0.710
  241   2HG   LYS  31          1HG       LYS  31 -12.670   2.409  -1.422
  242   1HD   LYS  31          2HD       LYS  31 -14.600   1.183  -0.598
  243   2HD   LYS  31          1HD       LYS  31 -13.540  -0.070   0.061
  244   1HE   LYS  31          2HE       LYS  31 -13.160   2.773   0.891
  245   2HE   LYS  31          1HE       LYS  31 -14.470   1.830   1.602
  246   1HZ   LYS  31          1HZ       LYS  31 -11.620   0.983   1.591
  247   2HZ   LYS  31          2HZ       LYS  31 -12.900   0.238   2.409
  248   3HZ   LYS  31          3HZ       LYS  31 -12.370   1.771   2.887
  249    H    GLU  32           H        GLU  32 -12.140   2.440  -3.945
  250    HA   GLU  32           HA       GLU  32  -9.898   3.698  -4.895
  251   1HB   GLU  32          2HB       GLU  32 -12.580   4.465  -4.192
  252   2HB   GLU  32          1HB       GLU  32 -11.460   5.737  -3.729
  253   1HG   GLU  32          2HG       GLU  32 -10.600   5.864  -5.980
  254   2HG   GLU  32          1HG       GLU  32 -11.610   4.504  -6.469
  255    H    VAL  33           H        VAL  33 -10.880   3.280  -1.586
  256    HA   VAL  33           HA       VAL  33  -8.438   4.672  -0.730
  257    HB   VAL  33           HB       VAL  33 -11.030   4.752   0.807
  258   1HG1  VAL  33          1HG1      VAL  33  -9.171   4.971   2.269
  259   2HG1  VAL  33          2HG1      VAL  33  -9.827   6.590   2.023
  260   3HG1  VAL  33          3HG1      VAL  33  -8.364   6.096   1.174
  261   1HG2  VAL  33          1HG2      VAL  33 -11.250   7.065   0.104
  262   2HG2  VAL  33          2HG2      VAL  33 -11.220   6.002  -1.303
  263   3HG2  VAL  33          3HG2      VAL  33  -9.790   6.929  -0.871
  264    H    ILE  34           H        ILE  34  -7.122   3.334   0.305
  265    HA   ILE  34           HA       ILE  34  -7.928   0.725   1.114
  266    HB   ILE  34           HB       ILE  34  -5.617   0.604   2.119
  267   1HG1  ILE  34          2HG1      ILE  34  -5.235   3.283   0.772
  268   2HG1  ILE  34          1HG1      ILE  34  -5.469   3.097   2.508
  269   1HG2  ILE  34          1HG2      ILE  34  -4.538   0.385   0.011
  270   2HG2  ILE  34          2HG2      ILE  34  -5.657   1.517  -0.749
  271   3HG2  ILE  34          3HG2      ILE  34  -6.227  -0.066  -0.214
  272   1HD1  ILE  34          1HD1      ILE  34  -3.444   1.777   2.659
  273   2HD1  ILE  34          2HD1      ILE  34  -3.114   3.338   1.909
  274   3HD1  ILE  34          3HD1      ILE  34  -3.224   1.886   0.913
  275    HA   PRO  35           HA       PRO  35  -9.236   0.981   5.300
  276   1HB   PRO  35          2HB       PRO  35  -6.848  -0.660   6.030
  277   2HB   PRO  35          1HB       PRO  35  -8.549  -0.900   6.448
  278   1HG   PRO  35          2HG       PRO  35  -7.412  -2.379   4.558
  279   2HG   PRO  35          1HG       PRO  35  -9.072  -1.788   4.367
  280   1HD   PRO  35          2HD       PRO  35  -6.561  -0.839   3.070
  281   2HD   PRO  35          1HD       PRO  35  -8.211  -0.911   2.420
  282    H    GLU  36           H        GLU  36  -8.745   1.906   7.347
  283    HA   GLU  36           HA       GLU  36  -6.932   4.081   7.231
  284   1HB   GLU  36          2HB       GLU  36  -8.995   4.235   8.500
  285   2HB   GLU  36          1HB       GLU  36  -8.486   2.917   9.547
  286   1HG   GLU  36          2HG       GLU  36  -6.504   4.428  10.152
  287   2HG   GLU  36          1HG       GLU  36  -7.451   5.723   9.424
  288    H    LYS  37           H        LYS  37  -6.720   0.845   8.509
  289    HA   LYS  37           HA       LYS  37  -4.276   1.436   9.971
  290   1HB   LYS  37          2HB       LYS  37  -5.793  -1.150   9.591
  291   2HB   LYS  37          1HB       LYS  37  -4.361  -0.968  10.596
  292   1HG   LYS  37          2HG       LYS  37  -5.882  -0.684  12.225
  293   2HG   LYS  37          1HG       LYS  37  -5.896   0.978  11.632
  294   1HD   LYS  37          2HD       LYS  37  -8.166   0.247  11.848
  295   2HD   LYS  37          1HD       LYS  37  -7.786   0.346  10.126
  296   1HE   LYS  37          2HE       LYS  37  -8.684  -1.714  10.052
  297   2HE   LYS  37          1HE       LYS  37  -7.106  -2.221  10.653
  298   1HZ   LYS  37          1HZ       LYS  37  -8.361  -3.182  12.235
  299   2HZ   LYS  37          2HZ       LYS  37  -9.666  -2.129  12.019
  300   3HZ   LYS  37          3HZ       LYS  37  -8.332  -1.642  12.936
  301    H    ASP  38           H        ASP  38  -5.224   0.206   6.888
  302    HA   ASP  38           HA       ASP  38  -2.740  -1.159   6.379
  303   1HB   ASP  38          2HB       ASP  38  -5.237  -0.611   4.855
  304   2HB   ASP  38          1HB       ASP  38  -3.776  -0.915   3.920
  305    H    ALA  39           H        ALA  39  -4.230   1.907   5.410
  306    HA   ALA  39           HA       ALA  39  -2.113   2.767   3.747
  307   1HB   ALA  39          1HB       ALA  39  -3.361   4.614   3.412
  308   2HB   ALA  39          2HB       ALA  39  -3.667   4.849   5.132
  309   3HB   ALA  39          3HB       ALA  39  -4.612   3.671   4.221
  310    H    TYR  40           H        TYR  40  -2.549   2.736   7.182
  311    HA   TYR  40           HA       TYR  40  -0.731   4.794   7.866
  312   1HB   TYR  40          2HB       TYR  40  -2.367   3.946   9.464
  313   2HB   TYR  40          1HB       TYR  40  -1.604   2.355   9.432
  314    HD1  TYR  40           1HD      TYR  40  -0.094   1.834  11.097
  315    HD2  TYR  40           2HD      TYR  40  -0.750   5.926  10.137
  316    HE1  TYR  40           1HE      TYR  40   1.381   2.499  12.951
  317    HE2  TYR  40           2HE      TYR  40   0.722   6.604  11.985
  318    HH   TYR  40           HH       TYR  40   1.570   5.706  14.088
  319    H    ARG  41           H        ARG  41  -0.316   1.249   7.986
  320    HA   ARG  41           HA       ARG  41   2.415   1.254   8.543
  321   1HB   ARG  41          2HB       ARG  41   0.874  -0.812   6.964
  322   2HB   ARG  41          1HB       ARG  41   2.422  -1.061   7.759
  323   1HG   ARG  41          2HG       ARG  41   1.464  -0.922   9.902
  324   2HG   ARG  41          1HG       ARG  41  -0.040  -0.251   9.270
  325   1HD   ARG  41          2HD       ARG  41   0.668  -2.849   8.131
  326   2HD   ARG  41          1HD       ARG  41   0.398  -2.886   9.872
  327    HE   ARG  41           HE       ARG  41  -1.686  -1.457   8.632
  328   1HH1  ARG  41          1HH1      ARG  41  -0.471  -4.713   8.949
  329   2HH1  ARG  41          2HH1      ARG  41  -2.026  -5.447   8.740
  330   1HH2  ARG  41          1HH2      ARG  41  -3.731  -2.420   8.358
  331   2HH2  ARG  41          2HH2      ARG  41  -3.876  -4.146   8.405
  332    H    LEU  42           H        LEU  42   0.705   1.419   5.471
  333    HA   LEU  42           HA       LEU  42   2.782   0.948   3.702
  334   1HB   LEU  42          2HB       LEU  42   0.303   2.613   3.569
  335   2HB   LEU  42          1HB       LEU  42   1.463   2.696   2.257
  336    HG   LEU  42           HG       LEU  42   0.124   0.163   3.206
  337   1HD1  LEU  42          1HD1      LEU  42  -0.434   1.273   0.534
  338   2HD1  LEU  42          2HD1      LEU  42  -1.134   2.144   1.897
  339   3HD1  LEU  42          3HD1      LEU  42  -1.496   0.434   1.662
  340   1HD2  LEU  42          1HD2      LEU  42   2.005   0.771   0.938
  341   2HD2  LEU  42          2HD2      LEU  42   1.009  -0.683   1.003
  342   3HD2  LEU  42          3HD2      LEU  42   2.220  -0.386   2.251
  343    H    GLU  43           H        GLU  43   1.742   4.088   5.033
  344    HA   GLU  43           HA       GLU  43   3.568   5.743   3.814
  345   1HB   GLU  43          2HB       GLU  43   1.735   6.545   5.235
  346   2HB   GLU  43          1HB       GLU  43   2.565   5.928   6.660
  347   1HG   GLU  43          2HG       GLU  43   4.425   7.480   6.210
  348   2HG   GLU  43          1HG       GLU  43   3.518   8.132   4.846
  349    H    ILE  44           H        ILE  44   4.088   3.501   6.432
  350    HA   ILE  44           HA       ILE  44   6.749   4.531   6.990
  351    HB   ILE  44           HB       ILE  44   5.414   2.074   8.121
  352   1HG1  ILE  44          2HG1      ILE  44   5.217   4.969   8.801
  353   2HG1  ILE  44          1HG1      ILE  44   3.996   3.707   8.909
  354   1HG2  ILE  44          1HG2      ILE  44   7.856   2.108   8.317
  355   2HG2  ILE  44          2HG2      ILE  44   7.076   2.265   9.890
  356   3HG2  ILE  44          3HG2      ILE  44   7.769   3.682   9.105
  357   1HD1  ILE  44          1HD1      ILE  44   6.297   4.112  10.804
  358   2HD1  ILE  44          2HD1      ILE  44   5.083   2.839  10.917
  359   3HD1  ILE  44          3HD1      ILE  44   4.609   4.528  11.104
  360    H    VAL  45           H        VAL  45   5.251   1.610   5.652
  361    HA   VAL  45           HA       VAL  45   7.635   0.205   5.160
  362    HB   VAL  45           HB       VAL  45   5.087  -0.067   3.636
  363   1HG1  VAL  45          1HG1      VAL  45   6.741  -1.311   2.543
  364   2HG1  VAL  45          2HG1      VAL  45   5.883  -2.482   3.544
  365   3HG1  VAL  45          3HG1      VAL  45   7.448  -1.856   4.063
  366   1HG2  VAL  45          1HG2      VAL  45   5.193  -2.057   5.585
  367   2HG2  VAL  45          2HG2      VAL  45   4.103  -0.674   5.536
  368   3HG2  VAL  45          3HG2      VAL  45   5.627  -0.564   6.417
  369    H    THR  46           H        THR  46   6.144   2.823   3.501
  370    HA   THR  46           HA       THR  46   7.593   2.313   1.033
  371    HB   THR  46           HB       THR  46   6.429   4.495   0.367
  372    HG1  THR  46           1HG      THR  46   4.677   5.066   1.664
  373   1HG2  THR  46          1HG2      THR  46   4.070   3.199   0.636
  374   2HG2  THR  46          2HG2      THR  46   5.217   1.868   0.781
  375   3HG2  THR  46          3HG2      THR  46   5.240   2.901  -0.649
  376    H    ALA  47           H        ALA  47   8.930   3.054   3.633
  377    HA   ALA  47           HA       ALA  47  10.648   4.351   4.365
  378   1HB   ALA  47          1HB       ALA  47  11.998   5.452   2.452
  379   2HB   ALA  47          2HB       ALA  47  10.910   4.558   1.391
  380   3HB   ALA  47          3HB       ALA  47  11.924   3.693   2.544
  381    H    GLY  48           H        GLY  48   7.986   5.538   4.191
  382   1HA   GLY  48          2HA       GLY  48   7.077   7.588   4.716
  383   2HA   GLY  48          1HA       GLY  48   8.709   8.238   4.757
  384    H    ALA  49           H        ALA  49   7.548   6.611   1.916
  385    HA   ALA  49           HA       ALA  49   8.022   8.916   0.298
  386   1HB   ALA  49          1HB       ALA  49   6.652   6.357  -0.511
  387   2HB   ALA  49          2HB       ALA  49   8.402   6.565  -0.443
  388   3HB   ALA  49          3HB       ALA  49   7.442   7.529  -1.565
  389    H    LEU  50           H        LEU  50   5.077   7.041   1.027
  390    HA   LEU  50           HA       LEU  50   3.382   9.048  -0.157
  391   1HB   LEU  50          2HB       LEU  50   2.696   6.605   1.481
  392   2HB   LEU  50          1HB       LEU  50   1.536   7.610   0.632
  393    HG   LEU  50           HG       LEU  50   3.760   6.125  -0.760
  394   1HD1  LEU  50          1HD1      LEU  50   1.662   4.711  -1.479
  395   2HD1  LEU  50          2HD1      LEU  50   1.047   5.246   0.086
  396   3HD1  LEU  50          3HD1      LEU  50   2.555   4.335  -0.006
  397   1HD2  LEU  50          1HD2      LEU  50   1.240   6.877  -2.103
  398   2HD2  LEU  50          2HD2      LEU  50   2.896   6.876  -2.710
  399   3HD2  LEU  50          3HD2      LEU  50   2.333   8.198  -1.686
  400    H    LYS  51           H        LYS  51   1.514   9.944   1.103
  401    HA   LYS  51           HA       LYS  51   2.338  10.634   3.848
  402   1HB   LYS  51          2HB       LYS  51   2.619  12.486   2.150
  403   2HB   LYS  51          1HB       LYS  51   0.871  12.480   1.963
  404   1HG   LYS  51          2HG       LYS  51   1.393  14.224   3.464
  405   2HG   LYS  51          1HG       LYS  51   0.708  12.917   4.431
  406   1HD   LYS  51          2HD       LYS  51   3.110  12.183   4.852
  407   2HD   LYS  51          1HD       LYS  51   3.589  13.744   4.182
  408   1HE   LYS  51          2HE       LYS  51   1.677  14.481   5.975
  409   2HE   LYS  51          1HE       LYS  51   2.396  13.088   6.781
  410   1HZ   LYS  51          1HZ       LYS  51   4.207  15.078   5.638
  411   2HZ   LYS  51          2HZ       LYS  51   4.374  14.141   7.036
  412   3HZ   LYS  51          3HZ       LYS  51   3.371  15.503   7.047
  413    H    TYR  52           H        TYR  52   0.934   9.975   5.323
  414    HA   TYR  52           HA       TYR  52  -1.685   9.052   4.576
  415   1HB   TYR  52          2HB       TYR  52  -0.186   7.997   6.338
  416   2HB   TYR  52          1HB       TYR  52  -0.604   9.354   7.380
  417    HD1  TYR  52           1HD      TYR  52  -3.237   9.779   7.572
  418    HD2  TYR  52           2HD      TYR  52  -1.429   6.069   6.539
  419    HE1  TYR  52           1HE      TYR  52  -5.260   8.597   8.304
  420    HE2  TYR  52           2HE      TYR  52  -3.452   4.876   7.267
  421    HH   TYR  52           HH       TYR  52  -5.362   5.190   8.690
  422    H    GLN  53           H        GLN  53  -3.460  10.242   4.494
  423    HA   GLN  53           HA       GLN  53  -3.533  12.767   6.009
  424   1HB   GLN  53          2HB       GLN  53  -5.206  12.124   3.585
  425   2HB   GLN  53          1HB       GLN  53  -4.935  13.695   4.326
  426   1HG   GLN  53          2HG       GLN  53  -2.444  12.492   3.522
  427   2HG   GLN  53          1HG       GLN  53  -3.574  12.584   2.171
  428   1HE2  GLN  53          1HE2      GLN  53  -1.262  14.219   3.905
  429   2HE2  GLN  53          2HE2      GLN  53  -1.610  15.827   3.377
  430    H    GLU  54           H        GLU  54  -5.035  12.998   7.542
  431    HA   GLU  54           HA       GLU  54  -6.942  10.839   7.950
  432   1HB   GLU  54          2HB       GLU  54  -5.639  12.857   9.622
  433   2HB   GLU  54          1HB       GLU  54  -7.341  12.634  10.004
  434   1HG   GLU  54          2HG       GLU  54  -7.044  10.491  10.727
  435   2HG   GLU  54          1HG       GLU  54  -5.639  10.220   9.696
  436    H    ASN  55           H        ASN  55  -7.469  12.514   5.714
  437    HA   ASN  55           HA       ASN  55  -9.639  14.270   6.528
  438   1HB   ASN  55          2HB       ASN  55  -9.767  14.859   4.139
  439   2HB   ASN  55          1HB       ASN  55  -8.131  15.044   4.763
  440   1HD2  ASN  55          1HD2      ASN  55 -10.240  12.982   2.872
  441   2HD2  ASN  55          2HD2      ASN  55  -8.993  12.208   1.969
  442    H    ALA  56           H        ALA  56  -9.117  11.163   5.024
  443    HA   ALA  56           HA       ALA  56 -12.000  10.842   4.601
  444   1HB   ALA  56          1HB       ALA  56 -10.100  10.315   2.843
  445   2HB   ALA  56          2HB       ALA  56 -11.550   9.316   2.959
  446   3HB   ALA  56          3HB       ALA  56 -10.050   8.781   3.711
  447    H    TYR  57           H        TYR  57  -9.370   9.792   6.576
  448    HA   TYR  57           HA       TYR  57 -10.870   7.520   7.625
  449   1HB   TYR  57          2HB       TYR  57  -8.179   8.433   8.609
  450   2HB   TYR  57          1HB       TYR  57  -8.885   6.823   8.673
  451    HD1  TYR  57           1HD      TYR  57  -6.638   8.929   6.950
  452    HD2  TYR  57           2HD      TYR  57  -9.340   5.695   6.355
  453    HE1  TYR  57           1HE      TYR  57  -5.465   8.339   4.870
  454    HE2  TYR  57           2HE      TYR  57  -8.173   5.096   4.275
  455    HH   TYR  57           HH       TYR  57  -5.931   5.402   3.267
  456    H    ARG  58           H        ARG  58 -11.460  10.506   8.078
  457    HA   ARG  58           HA       ARG  58 -11.240  10.606  10.994
  458   1HB   ARG  58          2HB       ARG  58 -12.120  12.958  10.668
  459   2HB   ARG  58          1HB       ARG  58 -10.530  12.632   9.995
  460   1HG   ARG  58          2HG       ARG  58 -11.200  13.156   7.944
  461   2HG   ARG  58          1HG       ARG  58 -12.610  12.111   8.063
  462   1HD   ARG  58          2HD       ARG  58 -13.060  14.381   9.707
  463   2HD   ARG  58          1HD       ARG  58 -12.480  14.952   8.145
  464    HE   ARG  58           HE       ARG  58 -14.490  12.989   7.803
  465   1HH1  ARG  58          1HH1      ARG  58 -14.040  16.330   8.702
  466   2HH1  ARG  58          2HH1      ARG  58 -15.620  16.813   8.175
  467   1HH2  ARG  58          1HH2      ARG  58 -16.560  13.622   7.109
  468   2HH2  ARG  58          2HH2      ARG  58 -17.050  15.276   7.271
  469    H    GLN  59           H        GLN  59 -12.960   8.667  10.158
  470    HA   GLN  59           HA       GLN  59 -15.590   9.817  10.818
  471   1HB   GLN  59          2HB       GLN  59 -15.300   8.969   8.427
  472   2HB   GLN  59          1HB       GLN  59 -15.200   7.357   9.121
  473   1HG   GLN  59          2HG       GLN  59 -17.410   7.300   9.670
  474   2HG   GLN  59          1HG       GLN  59 -17.510   9.047   9.890
  475   1HE2  GLN  59          1HE2      GLN  59 -16.610   6.878   7.224
  476   2HE2  GLN  59          2HE2      GLN  59 -17.650   7.606   6.053
  477    H    ALA  60           H        ALA  60 -13.570   8.770  12.616
  478    HA   ALA  60           HA       ALA  60 -15.220   6.744  13.921
  479   1HB   ALA  60          1HB       ALA  60 -13.130   5.866  12.464
  480   2HB   ALA  60          2HB       ALA  60 -13.710   5.063  13.921
  481   3HB   ALA  60          3HB       ALA  60 -12.330   6.153  14.010
  482    H    ALA  61           H        ALA  61 -14.690   9.543  14.438
  483    HA   ALA  61           HA       ALA  61 -13.770   9.275  17.189
  484   1HB   ALA  61          1HB       ALA  61 -12.440  11.461  16.836
  485   2HB   ALA  61          2HB       ALA  61 -12.440  10.998  15.135
  486   3HB   ALA  61          3HB       ALA  61 -11.720   9.931  16.335
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  -5.836   6.839   1.571
    2   2H    MET   1          2HT       MET   1  -5.878   8.084   0.392
    3   3H    MET   1          3HT       MET   1  -4.756   8.165   1.688
    4    HA   MET   1           HA       MET   1  -3.611   7.511  -0.228
    5   1HB   MET   1          2HB       MET   1  -4.162   5.167   1.602
    6   2HB   MET   1          1HB       MET   1  -2.765   5.326   0.548
    7   1HG   MET   1          2HG       MET   1  -3.434   7.206   2.798
    8   2HG   MET   1          1HG       MET   1  -2.296   5.865   2.909
    9   1HE   MET   1          1HE       MET   1   0.618   7.950   2.802
   10   2HE   MET   1          2HE       MET   1   0.511   6.350   2.066
   11   3HE   MET   1          3HE       MET   1  -0.397   6.707   3.536
   12    H    TYR   2           H        TYR   2  -4.414   7.331  -2.249
   13    HA   TYR   2           HA       TYR   2  -6.490   5.496  -2.946
   14   1HB   TYR   2          2HB       TYR   2  -4.868   7.538  -4.328
   15   2HB   TYR   2          1HB       TYR   2  -5.405   6.201  -5.342
   16    HD1  TYR   2           1HD      TYR   2  -7.052   8.043  -2.537
   17    HD2  TYR   2           2HD      TYR   2  -7.180   6.916  -6.637
   18    HE1  TYR   2           1HE      TYR   2  -9.261   9.101  -2.753
   19    HE2  TYR   2           2HE      TYR   2  -9.388   7.973  -6.865
   20    HH   TYR   2           HH       TYR   2 -10.750   9.642  -5.792
   21    H    LYS   3           H        LYS   3  -6.321   3.420  -3.469
   22    HA   LYS   3           HA       LYS   3  -4.004   1.928  -3.241
   23   1HB   LYS   3          2HB       LYS   3  -6.310   1.009  -3.206
   24   2HB   LYS   3          1HB       LYS   3  -6.411   1.253  -4.945
   25   1HG   LYS   3          2HG       LYS   3  -4.793  -0.398  -5.378
   26   2HG   LYS   3          1HG       LYS   3  -4.285  -0.453  -3.688
   27   1HD   LYS   3          2HD       LYS   3  -5.632  -2.253  -3.584
   28   2HD   LYS   3          1HD       LYS   3  -6.923  -1.056  -3.462
   29   1HE   LYS   3          2HE       LYS   3  -7.058  -1.126  -5.980
   30   2HE   LYS   3          1HE       LYS   3  -5.984  -2.522  -5.917
   31   1HZ   LYS   3          1HZ       LYS   3  -7.584  -3.825  -4.949
   32   2HZ   LYS   3          2HZ       LYS   3  -8.539  -2.856  -5.954
   33   3HZ   LYS   3          3HZ       LYS   3  -8.438  -2.517  -4.299
   34    H    LYS   4           H        LYS   4  -5.217   3.711  -5.973
   35    HA   LYS   4           HA       LYS   4  -3.840   2.482  -8.062
   36   1HB   LYS   4          2HB       LYS   4  -5.594   4.308  -8.217
   37   2HB   LYS   4          1HB       LYS   4  -4.315   5.453  -7.832
   38   1HG   LYS   4          2HG       LYS   4  -3.260   5.165  -9.856
   39   2HG   LYS   4          1HG       LYS   4  -3.953   3.562 -10.108
   40   1HD   LYS   4          2HD       LYS   4  -5.625   4.434 -11.287
   41   2HD   LYS   4          1HD       LYS   4  -6.066   5.482  -9.938
   42   1HE   LYS   4          2HE       LYS   4  -5.600   7.062 -11.521
   43   2HE   LYS   4          1HE       LYS   4  -4.001   6.880 -10.799
   44   1HZ   LYS   4          1HZ       LYS   4  -3.748   6.818 -13.141
   45   2HZ   LYS   4          2HZ       LYS   4  -4.982   5.675 -13.326
   46   3HZ   LYS   4          3HZ       LYS   4  -3.524   5.233 -12.590
   47    H    ASP   5           H        ASP   5  -2.808   5.072  -5.871
   48    HA   ASP   5           HA       ASP   5  -0.253   5.419  -7.073
   49   1HB   ASP   5          2HB       ASP   5  -1.678   6.904  -5.349
   50   2HB   ASP   5          1HB       ASP   5  -0.619   6.090  -4.200
   51    H    VAL   6           H        VAL   6  -1.389   3.629  -4.226
   52    HA   VAL   6           HA       VAL   6   1.055   2.726  -3.283
   53    HB   VAL   6           HB       VAL   6  -1.408   1.010  -3.196
   54   1HG1  VAL   6          1HG1      VAL   6   0.999   1.472  -1.510
   55   2HG1  VAL   6          2HG1      VAL   6   0.305  -0.043  -2.084
   56   3HG1  VAL   6          3HG1      VAL   6  -0.477   0.848  -0.779
   57   1HG2  VAL   6          1HG2      VAL   6  -1.908   2.404  -1.062
   58   2HG2  VAL   6          2HG2      VAL   6  -2.423   3.018  -2.633
   59   3HG2  VAL   6          3HG2      VAL   6  -0.967   3.658  -1.873
   60    H    ILE   7           H        ILE   7  -1.219   1.090  -5.487
   61    HA   ILE   7           HA       ILE   7   0.281  -1.199  -5.975
   62    HB   ILE   7           HB       ILE   7  -1.661   0.254  -7.772
   63   1HG1  ILE   7          2HG1      ILE   7  -1.946  -2.200  -6.025
   64   2HG1  ILE   7          1HG1      ILE   7  -2.599  -0.603  -5.674
   65   1HG2  ILE   7          1HG2      ILE   7  -0.429  -2.476  -8.113
   66   2HG2  ILE   7          2HG2      ILE   7  -0.245  -1.084  -9.181
   67   3HG2  ILE   7          3HG2      ILE   7  -1.812  -1.876  -9.031
   68   1HD1  ILE   7          1HD1      ILE   7  -4.126  -2.441  -6.670
   69   2HD1  ILE   7          2HD1      ILE   7  -3.363  -1.997  -8.197
   70   3HD1  ILE   7          3HD1      ILE   7  -4.248  -0.786  -7.268
   71    H    ASP   8           H        ASP   8   0.618   2.027  -7.257
   72    HA   ASP   8           HA       ASP   8   2.368   1.276  -9.405
   73   1HB   ASP   8          2HB       ASP   8   0.898   3.551  -8.757
   74   2HB   ASP   8          1HB       ASP   8   2.573   4.055  -8.556
   75    H    HIS   9           H        HIS   9   2.678   2.208  -6.069
   76    HA   HIS   9           HA       HIS   9   5.528   2.631  -6.244
   77   1HB   HIS   9          2HB       HIS   9   4.327   3.988  -4.658
   78   2HB   HIS   9          1HB       HIS   9   3.612   2.565  -3.906
   79    HD1  HIS   9           1HD      HIS   9   6.852   4.460  -4.137
   80    HD2  HIS   9           2HD      HIS   9   5.180   1.318  -1.993
   81    HE1  HIS   9           1HE      HIS   9   8.465   3.989  -2.266
   82    HE2  HIS   9           2HE      HIS   9   7.475   2.028  -1.034
   83    H    PHE  10           H        PHE  10   3.298   0.111  -5.343
   84    HA   PHE  10           HA       PHE  10   5.413  -1.588  -4.292
   85   1HB   PHE  10          2HB       PHE  10   2.424  -1.768  -4.426
   86   2HB   PHE  10          1HB       PHE  10   3.379  -3.217  -4.126
   87    HD1  PHE  10           1HD      PHE  10   4.751  -3.399  -2.110
   88    HD2  PHE  10           2HD      PHE  10   2.172  -0.083  -2.763
   89    HE1  PHE  10           1HE      PHE  10   4.907  -2.815   0.276
   90    HE2  PHE  10           2HE      PHE  10   2.317   0.509  -0.379
   91    HZ   PHE  10           HZ       PHE  10   3.687  -0.858   1.144
   92    H    GLY  11           H        GLY  11   3.494  -1.178  -7.173
   93   1HA   GLY  11          2HA       GLY  11   4.127  -1.986  -9.295
   94   2HA   GLY  11          1HA       GLY  11   5.138  -3.190  -8.509
   95    H    THR  12           H        THR  12   3.339  -4.367  -6.782
   96    HA   THR  12           HA       THR  12   1.065  -5.239  -8.386
   97    HB   THR  12           HB       THR  12   1.868  -7.667  -7.561
   98    HG1  THR  12           1HG      THR  12   4.284  -6.322  -8.179
   99   1HG2  THR  12          1HG2      THR  12   2.604  -8.159  -9.745
  100   2HG2  THR  12          2HG2      THR  12   3.047  -6.479 -10.051
  101   3HG2  THR  12          3HG2      THR  12   1.348  -6.930  -9.905
  102    H    GLN  13           H        GLN  13  -0.015  -7.168  -6.971
  103    HA   GLN  13           HA       GLN  13  -0.830  -5.868  -4.554
  104   1HB   GLN  13          2HB       GLN  13  -1.533  -8.559  -5.733
  105   2HB   GLN  13          1HB       GLN  13  -2.261  -7.912  -4.270
  106   1HG   GLN  13          2HG       GLN  13  -3.354  -6.203  -5.430
  107   2HG   GLN  13          1HG       GLN  13  -2.340  -6.404  -6.858
  108   1HE2  GLN  13          1HE2      GLN  13  -5.191  -6.373  -6.780
  109   2HE2  GLN  13          2HE2      GLN  13  -5.739  -7.911  -7.346
  110    H    ARG  14           H        ARG  14   1.012  -8.790  -5.336
  111    HA   ARG  14           HA       ARG  14   1.332  -9.811  -2.770
  112   1HB   ARG  14          2HB       ARG  14   2.051 -10.740  -5.111
  113   2HB   ARG  14          1HB       ARG  14   3.575  -9.942  -4.752
  114   1HG   ARG  14          2HG       ARG  14   2.408 -11.740  -2.695
  115   2HG   ARG  14          1HG       ARG  14   3.155 -12.460  -4.123
  116   1HD   ARG  14          2HD       ARG  14   4.983 -10.552  -3.381
  117   2HD   ARG  14          1HD       ARG  14   4.379 -11.131  -1.828
  118    HE   ARG  14           HE       ARG  14   4.931 -13.375  -3.355
  119   1HH1  ARG  14          1HH1      ARG  14   6.695 -10.673  -2.026
  120   2HH1  ARG  14          2HH1      ARG  14   8.175 -11.558  -1.866
  121   1HH2  ARG  14          1HH2      ARG  14   6.878 -14.539  -3.147
  122   2HH2  ARG  14          2HH2      ARG  14   8.280 -13.753  -2.502
  123    H    ALA  15           H        ALA  15   3.140  -7.291  -4.446
  124    HA   ALA  15           HA       ALA  15   5.266  -7.024  -2.648
  125   1HB   ALA  15          1HB       ALA  15   3.950  -5.077  -4.521
  126   2HB   ALA  15          2HB       ALA  15   5.479  -5.934  -4.719
  127   3HB   ALA  15          3HB       ALA  15   5.343  -4.637  -3.533
  128    H    VAL  16           H        VAL  16   2.029  -5.625  -2.621
  129    HA   VAL  16           HA       VAL  16   2.535  -3.987  -0.319
  130    HB   VAL  16           HB       VAL  16  -0.286  -4.523  -0.756
  131   1HG1  VAL  16          1HG1      VAL  16   1.339  -2.448   0.063
  132   2HG1  VAL  16          2HG1      VAL  16  -0.405  -2.374  -0.193
  133   3HG1  VAL  16          3HG1      VAL  16   0.698  -1.896  -1.483
  134   1HG2  VAL  16          1HG2      VAL  16   1.383  -3.817  -3.149
  135   2HG2  VAL  16          2HG2      VAL  16  -0.283  -3.257  -2.997
  136   3HG2  VAL  16          3HG2      VAL  16   0.068  -4.984  -3.016
  137    H    ALA  17           H        ALA  17   0.908  -7.066  -0.945
  138    HA   ALA  17           HA       ALA  17  -0.201  -7.526   1.556
  139   1HB   ALA  17          1HB       ALA  17   0.440  -9.103  -0.788
  140   2HB   ALA  17          2HB       ALA  17  -0.918  -9.240   0.327
  141   3HB   ALA  17          3HB       ALA  17   0.613 -10.033   0.702
  142    H    LYS  18           H        LYS  18   3.101  -8.009   0.441
  143    HA   LYS  18           HA       LYS  18   3.946  -9.360   2.828
  144   1HB   LYS  18          2HB       LYS  18   6.189  -9.196   1.895
  145   2HB   LYS  18          1HB       LYS  18   5.057  -9.742   0.666
  146   1HG   LYS  18          2HG       LYS  18   5.365  -7.923  -0.612
  147   2HG   LYS  18          1HG       LYS  18   5.467  -6.836   0.774
  148   1HD   LYS  18          2HD       LYS  18   7.760  -8.145   1.123
  149   2HD   LYS  18          1HD       LYS  18   7.604  -8.348  -0.624
  150   1HE   LYS  18          2HE       LYS  18   7.737  -6.075  -1.030
  151   2HE   LYS  18          1HE       LYS  18   7.216  -5.650   0.599
  152   1HZ   LYS  18          1HZ       LYS  18   9.841  -6.861  -0.083
  153   2HZ   LYS  18          2HZ       LYS  18   9.342  -6.353   1.451
  154   3HZ   LYS  18          3HZ       LYS  18   9.583  -5.216   0.222
  155    H    ALA  19           H        ALA  19   3.714  -6.066   1.766
  156    HA   ALA  19           HA       ALA  19   5.564  -4.929   3.591
  157   1HB   ALA  19          1HB       ALA  19   3.714  -3.995   1.592
  158   2HB   ALA  19          2HB       ALA  19   5.177  -3.230   2.212
  159   3HB   ALA  19          3HB       ALA  19   3.638  -2.984   3.036
  160    H    LEU  20           H        LEU  20   1.993  -4.907   3.625
  161    HA   LEU  20           HA       LEU  20   1.942  -4.071   6.378
  162   1HB   LEU  20          2HB       LEU  20  -0.409  -5.084   4.802
  163   2HB   LEU  20          1HB       LEU  20  -0.407  -3.967   6.153
  164    HG   LEU  20           HG       LEU  20   0.842  -3.288   3.498
  165   1HD1  LEU  20          1HD1      LEU  20  -1.996  -3.199   4.369
  166   2HD1  LEU  20          2HD1      LEU  20  -1.309  -3.501   2.773
  167   3HD1  LEU  20          3HD1      LEU  20  -1.372  -1.858   3.408
  168   1HD2  LEU  20          1HD2      LEU  20   1.006  -1.132   4.283
  169   2HD2  LEU  20          2HD2      LEU  20   1.321  -2.061   5.750
  170   3HD2  LEU  20          3HD2      LEU  20  -0.272  -1.355   5.479
  171    H    GLY  21           H        GLY  21   1.866  -7.080   4.669
  172   1HA   GLY  21          2HA       GLY  21   2.319  -9.145   5.744
  173   2HA   GLY  21          1HA       GLY  21   1.681  -8.478   7.238
  174    H    ILE  22           H        ILE  22  -0.016  -8.135   4.212
  175    HA   ILE  22           HA       ILE  22  -2.074  -9.980   5.232
  176    HB   ILE  22           HB       ILE  22  -3.677  -8.732   3.820
  177   1HG1  ILE  22          2HG1      ILE  22  -1.350  -6.844   3.391
  178   2HG1  ILE  22          1HG1      ILE  22  -2.070  -7.878   2.161
  179   1HG2  ILE  22          1HG2      ILE  22  -3.940  -7.913   5.901
  180   2HG2  ILE  22          2HG2      ILE  22  -3.224  -6.460   5.203
  181   3HG2  ILE  22          3HG2      ILE  22  -2.218  -7.592   6.107
  182   1HD1  ILE  22          1HD1      ILE  22  -2.751  -5.260   2.752
  183   2HD1  ILE  22          2HD1      ILE  22  -4.059  -6.225   3.435
  184   3HD1  ILE  22          3HD1      ILE  22  -3.644  -6.383   1.728
  185    H    SER  23           H        SER  23  -3.558 -10.644   3.217
  186    HA   SER  23           HA       SER  23  -1.742 -12.047   1.407
  187   1HB   SER  23          2HB       SER  23  -4.681 -12.446   2.008
  188   2HB   SER  23          1HB       SER  23  -3.768 -13.402   0.840
  189    HG   SER  23           HG       SER  23  -3.908 -13.678   3.507
  190    H    ASP  24           H        ASP  24  -2.597 -12.380  -0.874
  191    HA   ASP  24           HA       ASP  24  -2.706  -9.927  -2.202
  192   1HB   ASP  24          2HB       ASP  24  -2.901 -12.758  -2.935
  193   2HB   ASP  24          1HB       ASP  24  -3.800 -11.693  -4.013
  194    H    ALA  25           H        ALA  25  -5.250 -11.971  -0.967
  195    HA   ALA  25           HA       ALA  25  -7.411 -10.874  -2.407
  196   1HB   ALA  25          1HB       ALA  25  -7.410 -12.136   0.333
  197   2HB   ALA  25          2HB       ALA  25  -7.572 -12.992  -1.200
  198   3HB   ALA  25          3HB       ALA  25  -8.826 -11.867  -0.682
  199    H    ALA  26           H        ALA  26  -6.004 -10.047   0.744
  200    HA   ALA  26           HA       ALA  26  -7.842  -8.097   1.515
  201   1HB   ALA  26          1HB       ALA  26  -6.451  -8.624   3.239
  202   2HB   ALA  26          2HB       ALA  26  -5.668  -7.143   2.692
  203   3HB   ALA  26          3HB       ALA  26  -5.022  -8.712   2.209
  204    H    VAL  27           H        VAL  27  -4.840  -7.769  -0.353
  205    HA   VAL  27           HA       VAL  27  -5.031  -4.956  -0.674
  206    HB   VAL  27           HB       VAL  27  -3.546  -6.954  -2.390
  207   1HG1  VAL  27          1HG1      VAL  27  -3.149  -3.978  -2.087
  208   2HG1  VAL  27          2HG1      VAL  27  -3.864  -4.783  -3.485
  209   3HG1  VAL  27          3HG1      VAL  27  -2.172  -5.065  -3.075
  210   1HG2  VAL  27          1HG2      VAL  27  -2.731  -5.426   0.075
  211   2HG2  VAL  27          2HG2      VAL  27  -1.582  -6.207  -1.013
  212   3HG2  VAL  27          3HG2      VAL  27  -2.777  -7.176  -0.149
  213    H    SER  28           H        SER  28  -6.146  -7.705  -2.571
  214    HA   SER  28           HA       SER  28  -6.957  -6.158  -4.828
  215   1HB   SER  28          2HB       SER  28  -6.432  -8.595  -4.938
  216   2HB   SER  28          1HB       SER  28  -7.896  -8.918  -4.010
  217    HG   SER  28           HG       SER  28  -7.599  -8.272  -6.663
  218    H    GLN  29           H        GLN  29  -8.510  -7.264  -1.883
  219    HA   GLN  29           HA       GLN  29 -11.160  -6.633  -2.639
  220   1HB   GLN  29          2HB       GLN  29 -10.160  -8.039  -0.619
  221   2HB   GLN  29          1HB       GLN  29 -10.330  -6.504   0.220
  222   1HG   GLN  29          2HG       GLN  29 -12.590  -6.595   0.230
  223   2HG   GLN  29          1HG       GLN  29 -12.670  -7.418  -1.327
  224   1HE2  GLN  29          1HE2      GLN  29 -13.120  -7.754   1.928
  225   2HE2  GLN  29          2HE2      GLN  29 -13.080  -9.476   2.043
  226    H    TRP  30           H        TRP  30  -8.507  -4.693  -1.702
  227    HA   TRP  30           HA       TRP  30  -9.668  -2.559  -0.388
  228   1HB   TRP  30          2HB       TRP  30  -7.353  -2.752  -2.291
  229   2HB   TRP  30          1HB       TRP  30  -7.849  -1.192  -1.645
  230    HD1  TRP  30           HD       TRP  30  -8.534  -3.266   1.155
  231    HE1  TRP  30           1HE      TRP  30  -6.549  -3.427   2.784
  232    HE3  TRP  30           3HE      TRP  30  -4.829  -1.526  -1.908
  233    HZ2  TRP  30           2HZ      TRP  30  -3.776  -2.888   2.772
  234    HZ3  TRP  30           3HZ      TRP  30  -2.539  -1.379  -1.023
  235    HH2  TRP  30           HH       TRP  30  -2.024  -2.045   1.269
  236    H    LYS  31           H        LYS  31  -9.602  -0.254  -1.603
  237    HA   LYS  31           HA       LYS  31 -11.030  -0.371  -4.137
  238   1HB   LYS  31          2HB       LYS  31 -12.230   1.148  -1.828
  239   2HB   LYS  31          1HB       LYS  31 -12.960   0.798  -3.393
  240   1HG   LYS  31          2HG       LYS  31 -13.130  -1.546  -2.829
  241   2HG   LYS  31          1HG       LYS  31 -12.310  -1.262  -1.292
  242   1HD   LYS  31          2HD       LYS  31 -14.170   0.319  -0.708
  243   2HD   LYS  31          1HD       LYS  31 -15.010  -0.242  -2.156
  244   1HE   LYS  31          2HE       LYS  31 -14.020  -2.263  -0.211
  245   2HE   LYS  31          1HE       LYS  31 -15.450  -1.334   0.207
  246   1HZ   LYS  31          1HZ       LYS  31 -15.520  -3.587  -1.193
  247   2HZ   LYS  31          2HZ       LYS  31 -15.410  -2.476  -2.462
  248   3HZ   LYS  31          3HZ       LYS  31 -16.680  -2.364  -1.354
  249    H    GLU  32           H        GLU  32 -11.900   2.301  -4.150
  250    HA   GLU  32           HA       GLU  32  -9.712   3.667  -5.094
  251   1HB   GLU  32          2HB       GLU  32 -12.450   4.302  -4.435
  252   2HB   GLU  32          1HB       GLU  32 -11.390   5.652  -4.044
  253   1HG   GLU  32          2HG       GLU  32 -10.460   5.483  -6.362
  254   2HG   GLU  32          1HG       GLU  32 -11.730   4.305  -6.709
  255    H    VAL  33           H        VAL  33 -10.710   3.246  -1.796
  256    HA   VAL  33           HA       VAL  33  -8.354   4.755  -0.927
  257    HB   VAL  33           HB       VAL  33 -10.920   4.892   0.638
  258   1HG1  VAL  33          1HG1      VAL  33  -8.368   5.551   1.305
  259   2HG1  VAL  33          2HG1      VAL  33  -9.812   6.264   2.026
  260   3HG1  VAL  33          3HG1      VAL  33  -8.984   7.092   0.707
  261   1HG2  VAL  33          1HG2      VAL  33  -9.984   6.819  -1.486
  262   2HG2  VAL  33          2HG2      VAL  33 -11.280   7.132  -0.341
  263   3HG2  VAL  33          3HG2      VAL  33 -11.440   5.835  -1.525
  264    H    ILE  34           H        ILE  34  -7.071   3.357   0.079
  265    HA   ILE  34           HA       ILE  34  -7.904   0.838   1.044
  266    HB   ILE  34           HB       ILE  34  -5.660   0.633   1.998
  267   1HG1  ILE  34          2HG1      ILE  34  -5.294   3.519   1.167
  268   2HG1  ILE  34          1HG1      ILE  34  -5.452   2.955   2.828
  269   1HG2  ILE  34          1HG2      ILE  34  -5.268   1.992  -0.630
  270   2HG2  ILE  34          2HG2      ILE  34  -6.218   0.509  -0.533
  271   3HG2  ILE  34          3HG2      ILE  34  -4.533   0.515  -0.010
  272   1HD1  ILE  34          1HD1      ILE  34  -3.372   1.904   2.788
  273   2HD1  ILE  34          2HD1      ILE  34  -3.112   3.431   1.944
  274   3HD1  ILE  34          3HD1      ILE  34  -3.289   1.936   1.025
  275    HA   PRO  35           HA       PRO  35  -9.321   1.328   5.180
  276   1HB   PRO  35          2HB       PRO  35  -7.036  -0.356   6.091
  277   2HB   PRO  35          1HB       PRO  35  -8.767  -0.544   6.400
  278   1HG   PRO  35          2HG       PRO  35  -7.533  -2.115   4.646
  279   2HG   PRO  35          1HG       PRO  35  -9.167  -1.503   4.325
  280   1HD   PRO  35          2HD       PRO  35  -6.552  -0.623   3.185
  281   2HD   PRO  35          1HD       PRO  35  -8.143  -0.734   2.404
  282    H    GLU  36           H        GLU  36  -8.771   2.204   7.293
  283    HA   GLU  36           HA       GLU  36  -6.889   4.340   7.104
  284   1HB   GLU  36          2HB       GLU  36  -8.998   4.567   8.340
  285   2HB   GLU  36          1HB       GLU  36  -8.467   3.340   9.481
  286   1HG   GLU  36          2HG       GLU  36  -6.435   4.983   9.788
  287   2HG   GLU  36          1HG       GLU  36  -7.599   6.164   9.187
  288    H    LYS  37           H        LYS  37  -6.868   1.153   8.533
  289    HA   LYS  37           HA       LYS  37  -4.446   1.657  10.038
  290   1HB   LYS  37          2HB       LYS  37  -6.363  -0.595   9.762
  291   2HB   LYS  37          1HB       LYS  37  -4.712  -1.008  10.204
  292   1HG   LYS  37          2HG       LYS  37  -4.820   0.209  12.200
  293   2HG   LYS  37          1HG       LYS  37  -6.263   1.087  11.686
  294   1HD   LYS  37          2HD       LYS  37  -7.212  -1.414  11.567
  295   2HD   LYS  37          1HD       LYS  37  -5.992  -1.633  12.823
  296   1HE   LYS  37          2HE       LYS  37  -8.247  -1.053  13.697
  297   2HE   LYS  37          1HE       LYS  37  -6.982   0.080  14.171
  298   1HZ   LYS  37          1HZ       LYS  37  -7.884   1.735  12.956
  299   2HZ   LYS  37          2HZ       LYS  37  -9.307   0.849  13.175
  300   3HZ   LYS  37          3HZ       LYS  37  -8.439   0.708  11.730
  301    H    ASP  38           H        ASP  38  -5.315   0.470   6.916
  302    HA   ASP  38           HA       ASP  38  -2.829  -0.916   6.468
  303   1HB   ASP  38          2HB       ASP  38  -5.062  -0.094   4.597
  304   2HB   ASP  38          1HB       ASP  38  -3.643  -1.004   4.086
  305    H    ALA  39           H        ALA  39  -4.295   2.140   5.428
  306    HA   ALA  39           HA       ALA  39  -2.162   3.054   3.858
  307   1HB   ALA  39          1HB       ALA  39  -3.961   4.365   3.466
  308   2HB   ALA  39          2HB       ALA  39  -3.221   5.367   4.715
  309   3HB   ALA  39          3HB       ALA  39  -4.533   4.265   5.130
  310    H    TYR  40           H        TYR  40  -2.585   2.903   7.294
  311    HA   TYR  40           HA       TYR  40  -0.730   4.916   8.027
  312   1HB   TYR  40          2HB       TYR  40  -2.372   4.110   9.617
  313   2HB   TYR  40          1HB       TYR  40  -1.710   2.476   9.526
  314    HD1  TYR  40           1HD      TYR  40  -0.063   5.804   9.934
  315    HD2  TYR  40           2HD      TYR  40  -0.807   1.958  11.589
  316    HE1  TYR  40           1HE      TYR  40   1.449   6.325  11.800
  317    HE2  TYR  40           2HE      TYR  40   0.701   2.467  13.465
  318    HH   TYR  40           HH       TYR  40   2.769   5.209  13.470
  319    H    ARG  41           H        ARG  41  -0.405   1.362   7.983
  320    HA   ARG  41           HA       ARG  41   2.288   1.228   8.644
  321   1HB   ARG  41          2HB       ARG  41   0.421  -0.577   7.167
  322   2HB   ARG  41          1HB       ARG  41   2.136  -0.962   7.189
  323   1HG   ARG  41          2HG       ARG  41   2.041  -1.717   9.278
  324   2HG   ARG  41          1HG       ARG  41   1.124  -0.314   9.829
  325   1HD   ARG  41          2HD       ARG  41  -0.910  -1.310   9.412
  326   2HD   ARG  41          1HD       ARG  41  -0.247  -2.394   8.189
  327    HE   ARG  41           HE       ARG  41   0.169  -3.919   9.834
  328   1HH1  ARG  41          1HH1      ARG  41  -0.278  -0.791  11.315
  329   2HH1  ARG  41          2HH1      ARG  41  -0.236  -1.411  12.932
  330   1HH2  ARG  41          1HH2      ARG  41   0.223  -4.736  11.959
  331   2HH2  ARG  41          2HH2      ARG  41   0.048  -3.651  13.298
  332    H    LEU  42           H        LEU  42   0.826   2.216   5.678
  333    HA   LEU  42           HA       LEU  42   2.742   1.601   3.788
  334   1HB   LEU  42          2HB       LEU  42   1.069   4.100   4.035
  335   2HB   LEU  42          1HB       LEU  42   1.988   3.668   2.606
  336    HG   LEU  42           HG       LEU  42  -0.379   2.196   3.756
  337   1HD1  LEU  42          1HD1      LEU  42  -1.207   2.669   1.379
  338   2HD1  LEU  42          2HD1      LEU  42   0.098   3.853   1.303
  339   3HD1  LEU  42          3HD1      LEU  42  -1.169   4.013   2.520
  340   1HD2  LEU  42          1HD2      LEU  42  -0.025   0.846   1.561
  341   2HD2  LEU  42          2HD2      LEU  42   0.907   0.431   3.000
  342   3HD2  LEU  42          3HD2      LEU  42   1.647   1.385   1.714
  343    H    GLU  43           H        GLU  43   2.551   4.650   5.635
  344    HA   GLU  43           HA       GLU  43   4.907   5.791   4.743
  345   1HB   GLU  43          2HB       GLU  43   3.393   6.048   7.325
  346   2HB   GLU  43          1HB       GLU  43   4.883   6.942   7.057
  347   1HG   GLU  43          2HG       GLU  43   3.338   7.371   4.771
  348   2HG   GLU  43          1HG       GLU  43   2.221   7.495   6.129
  349    H    ILE  44           H        ILE  44   4.482   3.160   6.949
  350    HA   ILE  44           HA       ILE  44   7.148   3.386   8.060
  351    HB   ILE  44           HB       ILE  44   5.211   1.098   8.363
  352   1HG1  ILE  44          2HG1      ILE  44   5.361   3.776   9.664
  353   2HG1  ILE  44          1HG1      ILE  44   3.953   2.794   9.279
  354   1HG2  ILE  44          1HG2      ILE  44   6.518   0.423  10.207
  355   2HG2  ILE  44          2HG2      ILE  44   7.413   1.943  10.228
  356   3HG2  ILE  44          3HG2      ILE  44   7.668   0.788   8.920
  357   1HD1  ILE  44          1HD1      ILE  44   5.867   2.337  11.552
  358   2HD1  ILE  44          2HD1      ILE  44   4.471   1.332  11.169
  359   3HD1  ILE  44          3HD1      ILE  44   4.241   3.007  11.673
  360    H    VAL  45           H        VAL  45   5.402   1.061   6.002
  361    HA   VAL  45           HA       VAL  45   7.703  -0.512   5.468
  362    HB   VAL  45           HB       VAL  45   5.135  -1.072   5.273
  363   1HG1  VAL  45          1HG1      VAL  45   5.793  -0.366   2.420
  364   2HG1  VAL  45          2HG1      VAL  45   4.697   0.537   3.467
  365   3HG1  VAL  45          3HG1      VAL  45   4.310  -1.118   3.005
  366   1HG2  VAL  45          1HG2      VAL  45   5.776  -3.092   4.462
  367   2HG2  VAL  45          2HG2      VAL  45   7.375  -2.426   4.790
  368   3HG2  VAL  45          3HG2      VAL  45   6.724  -2.388   3.152
  369    H    THR  46           H        THR  46   5.989   1.999   3.678
  370    HA   THR  46           HA       THR  46   7.740   1.846   1.413
  371    HB   THR  46           HB       THR  46   6.421   3.603   0.502
  372    HG1  THR  46           1HG      THR  46   5.622   4.054   3.165
  373   1HG2  THR  46          1HG2      THR  46   4.289   2.332   2.104
  374   2HG2  THR  46          2HG2      THR  46   5.286   1.298   1.081
  375   3HG2  THR  46          3HG2      THR  46   4.379   2.634   0.370
  376    H    ALA  47           H        ALA  47   8.368   2.937   4.409
  377    HA   ALA  47           HA       ALA  47   9.940   4.316   5.304
  378   1HB   ALA  47          1HB       ALA  47  11.671   3.614   4.007
  379   2HB   ALA  47          2HB       ALA  47  11.585   5.289   3.460
  380   3HB   ALA  47          3HB       ALA  47  10.848   4.008   2.498
  381    H    GLY  48           H        GLY  48   7.364   5.370   4.384
  382   1HA   GLY  48          2HA       GLY  48   6.399   7.469   4.597
  383   2HA   GLY  48          1HA       GLY  48   8.008   8.172   4.640
  384    H    ALA  49           H        ALA  49   7.070   6.021   2.068
  385    HA   ALA  49           HA       ALA  49   7.782   7.808   0.037
  386   1HB   ALA  49          1HB       ALA  49   6.761   6.219  -1.499
  387   2HB   ALA  49          2HB       ALA  49   5.939   5.428  -0.155
  388   3HB   ALA  49          3HB       ALA  49   7.698   5.377  -0.266
  389    H    LEU  50           H        LEU  50   4.549   6.851   1.181
  390    HA   LEU  50           HA       LEU  50   3.389   9.078  -0.327
  391   1HB   LEU  50          2HB       LEU  50   2.298   6.562   0.863
  392   2HB   LEU  50          1HB       LEU  50   1.219   7.919   0.597
  393    HG   LEU  50           HG       LEU  50   2.428   7.753  -1.833
  394   1HD1  LEU  50          1HD1      LEU  50   1.867   4.905  -1.491
  395   2HD1  LEU  50          2HD1      LEU  50   3.310   5.461  -0.641
  396   3HD1  LEU  50          3HD1      LEU  50   3.158   5.712  -2.381
  397   1HD2  LEU  50          1HD2      LEU  50   0.357   6.442  -2.492
  398   2HD2  LEU  50          2HD2      LEU  50   0.090   7.967  -1.648
  399   3HD2  LEU  50          3HD2      LEU  50  -0.063   6.441  -0.779
  400    H    LYS  51           H        LYS  51   1.271   9.881   0.986
  401    HA   LYS  51           HA       LYS  51   2.252  10.703   3.642
  402   1HB   LYS  51          2HB       LYS  51   0.934  12.811   3.268
  403   2HB   LYS  51          1HB       LYS  51   2.336  12.617   2.224
  404   1HG   LYS  51          2HG       LYS  51   0.020  11.482   0.971
  405   2HG   LYS  51          1HG       LYS  51  -0.310  13.141   1.471
  406   1HD   LYS  51          2HD       LYS  51   2.263  12.550   0.090
  407   2HD   LYS  51          1HD       LYS  51   0.783  12.610  -0.869
  408   1HE   LYS  51          2HE       LYS  51   1.617  14.803   1.017
  409   2HE   LYS  51          1HE       LYS  51   2.073  14.774  -0.686
  410   1HZ   LYS  51          1HZ       LYS  51   0.036  16.097  -0.119
  411   2HZ   LYS  51          2HZ       LYS  51  -0.745  14.636   0.221
  412   3HZ   LYS  51          3HZ       LYS  51  -0.171  14.944  -1.339
  413    H    TYR  52           H        TYR  52   1.135   9.474   5.038
  414    HA   TYR  52           HA       TYR  52  -1.548   8.622   4.594
  415   1HB   TYR  52          2HB       TYR  52  -0.133   7.229   5.935
  416   2HB   TYR  52          1HB       TYR  52   0.236   8.555   7.031
  417    HD1  TYR  52           1HD      TYR  52  -0.452   7.533   9.054
  418    HD2  TYR  52           2HD      TYR  52  -3.155   7.739   5.773
  419    HE1  TYR  52           1HE      TYR  52  -2.289   6.829  10.528
  420    HE2  TYR  52           2HE      TYR  52  -4.993   7.035   7.238
  421    HH   TYR  52           HH       TYR  52  -5.452   7.186   9.822
  422    H    GLN  53           H        GLN  53  -3.277   9.873   4.737
  423    HA   GLN  53           HA       GLN  53  -3.327  11.974   6.799
  424   1HB   GLN  53          2HB       GLN  53  -4.018  12.088   3.911
  425   2HB   GLN  53          1HB       GLN  53  -5.054  12.982   5.016
  426   1HG   GLN  53          2HG       GLN  53  -3.134  14.214   5.850
  427   2HG   GLN  53          1HG       GLN  53  -2.068  13.291   4.791
  428   1HE2  GLN  53          1HE2      GLN  53  -1.527  14.274   2.990
  429   2HE2  GLN  53          2HE2      GLN  53  -2.451  15.476   2.162
  430    H    GLU  54           H        GLU  54  -5.041  11.992   8.127
  431    HA   GLU  54           HA       GLU  54  -7.008   9.873   7.815
  432   1HB   GLU  54          2HB       GLU  54  -7.721  10.634  10.123
  433   2HB   GLU  54          1HB       GLU  54  -6.090   9.989   9.992
  434   1HG   GLU  54          2HG       GLU  54  -5.110  12.088  10.221
  435   2HG   GLU  54          1HG       GLU  54  -6.606  12.932   9.827
  436    H    ASN  55           H        ASN  55  -7.060  12.335   6.118
  437    HA   ASN  55           HA       ASN  55  -9.273  13.913   6.976
  438   1HB   ASN  55          2HB       ASN  55  -7.752  13.644   4.400
  439   2HB   ASN  55          1HB       ASN  55  -9.237  14.587   4.462
  440   1HD2  ASN  55          1HD2      ASN  55  -9.093  16.634   5.053
  441   2HD2  ASN  55          2HD2      ASN  55  -7.732  17.370   5.821
  442    H    ALA  56           H        ALA  56  -9.095  12.001   3.985
  443    HA   ALA  56           HA       ALA  56 -11.880  11.681   3.764
  444   1HB   ALA  56          1HB       ALA  56 -10.980   9.637   2.274
  445   2HB   ALA  56          2HB       ALA  56  -9.498  10.580   2.410
  446   3HB   ALA  56          3HB       ALA  56 -10.950  11.316   1.735
  447    H    TYR  57           H        TYR  57  -9.573  10.066   5.710
  448    HA   TYR  57           HA       TYR  57 -11.030   7.607   5.984
  449   1HB   TYR  57          2HB       TYR  57  -8.703   8.759   7.518
  450   2HB   TYR  57          1HB       TYR  57  -9.382   7.162   7.818
  451    HD1  TYR  57           1HD      TYR  57  -9.902   6.256   5.047
  452    HD2  TYR  57           2HD      TYR  57  -6.555   8.305   6.693
  453    HE1  TYR  57           1HE      TYR  57  -8.464   5.309   3.292
  454    HE2  TYR  57           2HE      TYR  57  -5.111   7.364   4.942
  455    HH   TYR  57           HH       TYR  57  -4.989   6.034   3.164
  456    H    ARG  58           H        ARG  58 -11.300  10.723   7.311
  457    HA   ARG  58           HA       ARG  58 -12.380   9.920   9.859
  458   1HB   ARG  58          2HB       ARG  58 -11.770  12.450   8.483
  459   2HB   ARG  58          1HB       ARG  58 -13.170  12.519   9.535
  460   1HG   ARG  58          2HG       ARG  58 -11.820  11.706  11.400
  461   2HG   ARG  58          1HG       ARG  58 -10.410  11.636  10.344
  462   1HD   ARG  58          2HD       ARG  58 -10.070  13.687  11.280
  463   2HD   ARG  58          1HD       ARG  58 -11.070  14.162   9.909
  464    HE   ARG  58           HE       ARG  58 -12.600  13.569  12.259
  465   1HH1  ARG  58          1HH1      ARG  58 -10.750  16.038  10.630
  466   2HH1  ARG  58          2HH1      ARG  58 -11.560  17.346  11.419
  467   1HH2  ARG  58          1HH2      ARG  58 -13.670  15.288  13.297
  468   2HH2  ARG  58          2HH2      ARG  58 -13.220  16.920  12.933
  469    H    GLN  59           H        GLN  59 -14.600  11.329  10.297
  470    HA   GLN  59           HA       GLN  59 -16.530  10.069   8.495
  471   1HB   GLN  59          2HB       GLN  59 -16.680  11.048  11.332
  472   2HB   GLN  59          1HB       GLN  59 -18.140  10.737  10.402
  473   1HG   GLN  59          2HG       GLN  59 -16.690   8.452  10.000
  474   2HG   GLN  59          1HG       GLN  59 -16.290   8.878  11.662
  475   1HE2  GLN  59          1HE2      GLN  59 -18.370   9.700  12.873
  476   2HE2  GLN  59          2HE2      GLN  59 -19.720   8.630  12.760
  477    H    ALA  60           H        ALA  60 -18.600  11.299   8.140
  478    HA   ALA  60           HA       ALA  60 -19.720  13.088   7.301
  479   1HB   ALA  60          1HB       ALA  60 -18.280  15.317   8.299
  480   2HB   ALA  60          2HB       ALA  60 -18.340  14.090   9.566
  481   3HB   ALA  60          3HB       ALA  60 -19.830  14.680   8.841
  482    H    ALA  61           H        ALA  61 -16.550  14.658   7.535
  483    HA   ALA  61           HA       ALA  61 -16.670  15.370   4.739
  484   1HB   ALA  61          1HB       ALA  61 -15.020  16.129   7.064
  485   2HB   ALA  61          2HB       ALA  61 -15.750  17.134   5.814
  486   3HB   ALA  61          3HB       ALA  61 -14.260  16.253   5.477
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  -5.699   6.740   1.692
    2   2H    MET   1          2HT       MET   1  -4.359   7.724   2.114
    3   3H    MET   1          3HT       MET   1  -4.155   6.033   1.913
    4    HA   MET   1           HA       MET   1  -4.645   8.098  -0.105
    5   1HB   MET   1          2HB       MET   1  -2.624   7.200  -1.068
    6   2HB   MET   1          1HB       MET   1  -2.336   7.533   0.633
    7   1HG   MET   1          2HG       MET   1  -3.167   4.912   0.643
    8   2HG   MET   1          1HG       MET   1  -2.214   5.027  -0.833
    9   1HE   MET   1          1HE       MET   1  -2.342   6.686   2.439
   10   2HE   MET   1          2HE       MET   1  -0.653   7.127   2.689
   11   3HE   MET   1          3HE       MET   1  -1.302   5.665   3.432
   12    H    TYR   2           H        TYR   2  -4.650   7.143  -2.358
   13    HA   TYR   2           HA       TYR   2  -6.820   5.275  -2.543
   14   1HB   TYR   2          2HB       TYR   2  -5.280   6.975  -4.432
   15   2HB   TYR   2          1HB       TYR   2  -6.061   5.548  -5.105
   16    HD1  TYR   2           1HD      TYR   2  -7.051   8.103  -2.553
   17    HD2  TYR   2           2HD      TYR   2  -8.026   6.093  -6.173
   18    HE1  TYR   2           1HE      TYR   2  -9.180   9.328  -2.652
   19    HE2  TYR   2           2HE      TYR   2 -10.150   7.312  -6.282
   20    HH   TYR   2           HH       TYR   2 -10.850   9.986  -4.262
   21    H    LYS   3           H        LYS   3  -6.756   3.327  -3.871
   22    HA   LYS   3           HA       LYS   3  -4.590   1.635  -3.133
   23   1HB   LYS   3          2HB       LYS   3  -6.880   0.791  -3.330
   24   2HB   LYS   3          1HB       LYS   3  -6.878   1.156  -5.051
   25   1HG   LYS   3          2HG       LYS   3  -4.704  -0.429  -4.894
   26   2HG   LYS   3          1HG       LYS   3  -5.686  -1.100  -3.592
   27   1HD   LYS   3          2HD       LYS   3  -7.581  -0.941  -5.436
   28   2HD   LYS   3          1HD       LYS   3  -6.194  -1.034  -6.521
   29   1HE   LYS   3          2HE       LYS   3  -5.516  -3.032  -4.952
   30   2HE   LYS   3          1HE       LYS   3  -7.242  -3.052  -4.593
   31   1HZ   LYS   3          1HZ       LYS   3  -5.851  -3.846  -6.996
   32   2HZ   LYS   3          2HZ       LYS   3  -7.227  -2.902  -7.277
   33   3HZ   LYS   3          3HZ       LYS   3  -7.355  -4.342  -6.401
   34    H    LYS   4           H        LYS   4  -5.419   3.440  -6.000
   35    HA   LYS   4           HA       LYS   4  -3.800   2.124  -7.868
   36   1HB   LYS   4          2HB       LYS   4  -5.560   3.933  -8.274
   37   2HB   LYS   4          1HB       LYS   4  -4.306   5.093  -7.862
   38   1HG   LYS   4          2HG       LYS   4  -2.909   4.075  -9.686
   39   2HG   LYS   4          1HG       LYS   4  -4.346   3.169 -10.169
   40   1HD   LYS   4          2HD       LYS   4  -4.705   6.076  -9.802
   41   2HD   LYS   4          1HD       LYS   4  -3.697   5.585 -11.166
   42   1HE   LYS   4          2HE       LYS   4  -5.427   4.515 -12.236
   43   2HE   LYS   4          1HE       LYS   4  -6.311   4.220 -10.738
   44   1HZ   LYS   4          1HZ       LYS   4  -6.385   6.866 -10.813
   45   2HZ   LYS   4          2HZ       LYS   4  -7.568   5.896 -11.533
   46   3HZ   LYS   4          3HZ       LYS   4  -6.327   6.553 -12.475
   47    H    ASP   5           H        ASP   5  -3.078   4.815  -5.675
   48    HA   ASP   5           HA       ASP   5  -0.475   5.329  -6.580
   49   1HB   ASP   5          2HB       ASP   5  -2.104   6.032  -4.242
   50   2HB   ASP   5          1HB       ASP   5  -0.376   5.966  -3.905
   51    H    VAL   6           H        VAL   6  -1.569   3.329  -3.837
   52    HA   VAL   6           HA       VAL   6   0.881   2.441  -2.951
   53    HB   VAL   6           HB       VAL   6  -1.527   0.642  -3.024
   54   1HG1  VAL   6          1HG1      VAL   6   0.454  -0.318  -2.089
   55   2HG1  VAL   6          2HG1      VAL   6  -0.668   0.040  -0.777
   56   3HG1  VAL   6          3HG1      VAL   6   0.710   1.098  -1.073
   57   1HG2  VAL   6          1HG2      VAL   6  -1.204   3.239  -1.632
   58   2HG2  VAL   6          2HG2      VAL   6  -1.898   1.911  -0.703
   59   3HG2  VAL   6          3HG2      VAL   6  -2.665   2.432  -2.203
   60    H    ILE   7           H        ILE   7  -1.283   0.830  -5.281
   61    HA   ILE   7           HA       ILE   7   0.378  -1.327  -5.882
   62    HB   ILE   7           HB       ILE   7  -1.691   0.058  -7.588
   63   1HG1  ILE   7          2HG1      ILE   7  -1.753  -2.466  -5.923
   64   2HG1  ILE   7          1HG1      ILE   7  -2.573  -0.953  -5.555
   65   1HG2  ILE   7          1HG2      ILE   7  -1.691  -2.019  -8.947
   66   2HG2  ILE   7          2HG2      ILE   7  -0.249  -2.544  -8.077
   67   3HG2  ILE   7          3HG2      ILE   7  -0.198  -1.091  -9.077
   68   1HD1  ILE   7          1HD1      ILE   7  -3.475  -1.615  -8.086
   69   2HD1  ILE   7          2HD1      ILE   7  -4.346  -1.812  -6.564
   70   3HD1  ILE   7          3HD1      ILE   7  -3.408  -3.153  -7.225
   71    H    ASP   8           H        ASP   8   0.454   1.975  -7.002
   72    HA   ASP   8           HA       ASP   8   2.214   1.471  -9.210
   73   1HB   ASP   8          2HB       ASP   8   0.666   3.656  -8.273
   74   2HB   ASP   8          1HB       ASP   8   2.341   4.199  -8.328
   75    H    HIS   9           H        HIS   9   2.533   2.141  -5.826
   76    HA   HIS   9           HA       HIS   9   5.338   2.810  -6.018
   77   1HB   HIS   9          2HB       HIS   9   4.074   3.955  -4.322
   78   2HB   HIS   9          1HB       HIS   9   3.482   2.435  -3.663
   79    HD1  HIS   9           1HD      HIS   9   6.220   4.853  -3.384
   80    HD2  HIS   9           2HD      HIS   9   5.522   0.907  -2.286
   81    HE1  HIS   9           1HE      HIS   9   7.987   4.307  -1.682
   82    HE2  HIS   9           2HE      HIS   9   7.490   1.944  -0.965
   83    H    PHE  10           H        PHE  10   3.334   0.056  -5.285
   84    HA   PHE  10           HA       PHE  10   5.625  -1.528  -4.412
   85   1HB   PHE  10          2HB       PHE  10   2.654  -1.943  -4.405
   86   2HB   PHE  10          1HB       PHE  10   3.742  -3.315  -4.218
   87    HD1  PHE  10           1HD      PHE  10   2.364  -0.341  -2.665
   88    HD2  PHE  10           2HD      PHE  10   5.206  -3.476  -2.273
   89    HE1  PHE  10           1HE      PHE  10   2.585   0.170  -0.270
   90    HE2  PHE  10           2HE      PHE  10   5.435  -2.975   0.127
   91    HZ   PHE  10           HZ       PHE  10   4.122  -1.150   1.133
   92    H    GLY  11           H        GLY  11   3.376  -1.247  -7.099
   93   1HA   GLY  11          2HA       GLY  11   3.874  -1.885  -9.313
   94   2HA   GLY  11          1HA       GLY  11   5.153  -2.926  -8.701
   95    H    THR  12           H        THR  12   3.808  -4.437  -6.846
   96    HA   THR  12           HA       THR  12   1.637  -5.721  -8.353
   97    HB   THR  12           HB       THR  12   2.549  -7.920  -7.898
   98    HG1  THR  12           1HG      THR  12   4.539  -6.477  -6.507
   99   1HG2  THR  12          1HG2      THR  12   5.052  -6.750  -8.847
  100   2HG2  THR  12          2HG2      THR  12   3.621  -6.247  -9.744
  101   3HG2  THR  12          3HG2      THR  12   4.005  -7.960  -9.587
  102    H    GLN  13           H        GLN  13  -0.039  -6.451  -7.136
  103    HA   GLN  13           HA       GLN  13  -0.549  -5.422  -4.636
  104   1HB   GLN  13          2HB       GLN  13  -2.287  -7.253  -4.458
  105   2HB   GLN  13          1HB       GLN  13  -2.375  -6.248  -5.897
  106   1HG   GLN  13          2HG       GLN  13  -0.788  -8.251  -6.778
  107   2HG   GLN  13          1HG       GLN  13  -1.797  -9.111  -5.617
  108   1HE2  GLN  13          1HE2      GLN  13  -4.200  -7.990  -5.839
  109   2HE2  GLN  13          2HE2      GLN  13  -4.829  -8.161  -7.438
  110    H    ARG  14           H        ARG  14   0.569  -8.720  -5.385
  111    HA   ARG  14           HA       ARG  14   0.680  -9.811  -2.882
  112   1HB   ARG  14          2HB       ARG  14   1.663 -10.479  -5.398
  113   2HB   ARG  14          1HB       ARG  14   3.093 -10.456  -4.374
  114   1HG   ARG  14          2HG       ARG  14   2.425 -12.629  -4.143
  115   2HG   ARG  14          1HG       ARG  14   1.598 -11.885  -2.772
  116   1HD   ARG  14          2HD       ARG  14  -0.108 -13.111  -3.701
  117   2HD   ARG  14          1HD       ARG  14  -0.336 -11.556  -4.497
  118    HE   ARG  14           HE       ARG  14   1.371 -13.236  -6.018
  119   1HH1  ARG  14          1HH1      ARG  14  -1.981 -12.731  -5.190
  120   2HH1  ARG  14          2HH1      ARG  14  -2.577 -13.437  -6.655
  121   1HH2  ARG  14          1HH2      ARG  14   0.589 -14.163  -7.943
  122   2HH2  ARG  14          2HH2      ARG  14  -1.120 -14.249  -8.219
  123    H    ALA  15           H        ALA  15   2.888  -7.473  -4.285
  124    HA   ALA  15           HA       ALA  15   4.947  -7.665  -2.373
  125   1HB   ALA  15          1HB       ALA  15   4.122  -5.262  -3.998
  126   2HB   ALA  15          2HB       ALA  15   5.220  -6.535  -4.530
  127   3HB   ALA  15          3HB       ALA  15   5.669  -5.488  -3.185
  128    H    VAL  16           H        VAL  16   2.200  -5.412  -2.592
  129    HA   VAL  16           HA       VAL  16   2.675  -3.947  -0.293
  130    HB   VAL  16           HB       VAL  16  -0.168  -4.573  -0.853
  131   1HG1  VAL  16          1HG1      VAL  16   1.018  -1.860  -0.936
  132   2HG1  VAL  16          2HG1      VAL  16   1.012  -2.715   0.605
  133   3HG1  VAL  16          3HG1      VAL  16  -0.504  -2.409  -0.241
  134   1HG2  VAL  16          1HG2      VAL  16   0.434  -4.640  -3.107
  135   2HG2  VAL  16          2HG2      VAL  16   1.684  -3.413  -2.910
  136   3HG2  VAL  16          3HG2      VAL  16  -0.017  -2.955  -2.850
  137    H    ALA  17           H        ALA  17   0.883  -6.979  -0.679
  138    HA   ALA  17           HA       ALA  17  -0.066  -7.212   1.941
  139   1HB   ALA  17          1HB       ALA  17   0.194  -8.941  -0.386
  140   2HB   ALA  17          2HB       ALA  17  -1.091  -8.844   0.817
  141   3HB   ALA  17          3HB       ALA  17   0.345  -9.813   1.139
  142    H    LYS  18           H        LYS  18   3.080  -7.828   0.583
  143    HA   LYS  18           HA       LYS  18   4.055  -9.408   2.754
  144   1HB   LYS  18          2HB       LYS  18   4.933  -8.883   0.215
  145   2HB   LYS  18          1HB       LYS  18   6.044  -7.921   1.180
  146   1HG   LYS  18          2HG       LYS  18   6.974 -10.108   0.768
  147   2HG   LYS  18          1HG       LYS  18   6.617  -9.918   2.486
  148   1HD   LYS  18          2HD       LYS  18   5.602 -11.912   2.278
  149   2HD   LYS  18          1HD       LYS  18   4.287 -10.983   1.558
  150   1HE   LYS  18          2HE       LYS  18   4.647 -12.660  -0.003
  151   2HE   LYS  18          1HE       LYS  18   5.574 -11.311  -0.656
  152   1HZ   LYS  18          1HZ       LYS  18   6.516 -13.810   0.540
  153   2HZ   LYS  18          2HZ       LYS  18   7.462 -12.426   0.760
  154   3HZ   LYS  18          3HZ       LYS  18   7.106 -12.966  -0.802
  155    H    ALA  19           H        ALA  19   3.906  -5.995   2.038
  156    HA   ALA  19           HA       ALA  19   5.744  -5.236   4.120
  157   1HB   ALA  19          1HB       ALA  19   4.122  -3.837   2.086
  158   2HB   ALA  19          2HB       ALA  19   5.801  -3.596   2.562
  159   3HB   ALA  19          3HB       ALA  19   4.500  -2.933   3.551
  160    H    LEU  20           H        LEU  20   2.255  -5.465   3.734
  161    HA   LEU  20           HA       LEU  20   1.781  -4.334   6.370
  162   1HB   LEU  20          2HB       LEU  20  -0.046  -5.344   4.200
  163   2HB   LEU  20          1HB       LEU  20  -0.636  -4.858   5.778
  164    HG   LEU  20           HG       LEU  20   1.030  -2.923   4.242
  165   1HD1  LEU  20          1HD1      LEU  20  -1.350  -2.148   3.388
  166   2HD1  LEU  20          2HD1      LEU  20  -1.670  -3.881   3.474
  167   3HD1  LEU  20          3HD1      LEU  20  -0.352  -3.276   2.470
  168   1HD2  LEU  20          1HD2      LEU  20  -0.142  -1.315   5.467
  169   2HD2  LEU  20          2HD2      LEU  20   0.113  -2.630   6.616
  170   3HD2  LEU  20          3HD2      LEU  20  -1.459  -2.428   5.841
  171    H    GLY  21           H        GLY  21   1.842  -7.438   4.768
  172   1HA   GLY  21          2HA       GLY  21   2.207  -9.484   5.883
  173   2HA   GLY  21          1HA       GLY  21   1.651  -8.742   7.377
  174    H    ILE  22           H        ILE  22  -0.165  -8.385   4.433
  175    HA   ILE  22           HA       ILE  22  -2.235 -10.158   5.556
  176    HB   ILE  22           HB       ILE  22  -3.869  -8.836   4.262
  177   1HG1  ILE  22          2HG1      ILE  22  -1.530  -7.004   3.690
  178   2HG1  ILE  22          1HG1      ILE  22  -2.294  -8.061   2.507
  179   1HG2  ILE  22          1HG2      ILE  22  -3.415  -6.622   5.598
  180   2HG2  ILE  22          2HG2      ILE  22  -2.153  -7.596   6.353
  181   3HG2  ILE  22          3HG2      ILE  22  -3.836  -8.116   6.437
  182   1HD1  ILE  22          1HD1      ILE  22  -3.109  -5.449   3.480
  183   2HD1  ILE  22          2HD1      ILE  22  -4.413  -6.636   3.500
  184   3HD1  ILE  22          3HD1      ILE  22  -3.550  -6.301   2.000
  185    H    SER  23           H        SER  23  -3.859 -10.692   3.580
  186    HA   SER  23           HA       SER  23  -2.267 -12.327   1.800
  187   1HB   SER  23          2HB       SER  23  -4.539 -13.158   1.043
  188   2HB   SER  23          1HB       SER  23  -4.175 -13.411   2.750
  189    HG   SER  23           HG       SER  23  -6.282 -12.273   1.829
  190    H    ASP  24           H        ASP  24  -2.765 -12.423  -0.532
  191    HA   ASP  24           HA       ASP  24  -2.498  -9.879  -1.729
  192   1HB   ASP  24          2HB       ASP  24  -2.657 -11.104  -3.872
  193   2HB   ASP  24          1HB       ASP  24  -1.530 -11.864  -2.751
  194    H    ALA  25           H        ALA  25  -5.241 -11.976  -1.171
  195    HA   ALA  25           HA       ALA  25  -7.071 -10.812  -2.949
  196   1HB   ALA  25          1HB       ALA  25  -8.704 -11.628  -0.988
  197   2HB   ALA  25          2HB       ALA  25  -7.246 -12.512  -0.538
  198   3HB   ALA  25          3HB       ALA  25  -7.951 -12.732  -2.139
  199    H    ALA  26           H        ALA  26  -6.289 -10.027   0.420
  200    HA   ALA  26           HA       ALA  26  -8.244  -8.069   0.830
  201   1HB   ALA  26          1HB       ALA  26  -6.368  -9.201   2.392
  202   2HB   ALA  26          2HB       ALA  26  -7.251  -7.738   2.828
  203   3HB   ALA  26          3HB       ALA  26  -5.637  -7.618   2.129
  204    H    VAL  27           H        VAL  27  -5.123  -7.917  -0.751
  205    HA   VAL  27           HA       VAL  27  -4.978  -5.070  -0.868
  206    HB   VAL  27           HB       VAL  27  -3.572  -7.093  -2.616
  207   1HG1  VAL  27          1HG1      VAL  27  -1.960  -5.335  -3.037
  208   2HG1  VAL  27          2HG1      VAL  27  -2.855  -4.230  -1.993
  209   3HG1  VAL  27          3HG1      VAL  27  -3.575  -4.794  -3.502
  210   1HG2  VAL  27          1HG2      VAL  27  -2.727  -5.838  -0.006
  211   2HG2  VAL  27          2HG2      VAL  27  -1.682  -6.804  -1.049
  212   3HG2  VAL  27          3HG2      VAL  27  -3.094  -7.540  -0.289
  213    H    SER  28           H        SER  28  -6.031  -7.590  -3.126
  214    HA   SER  28           HA       SER  28  -6.593  -5.793  -5.259
  215   1HB   SER  28          2HB       SER  28  -6.227  -8.395  -5.274
  216   2HB   SER  28          1HB       SER  28  -7.969  -8.442  -5.004
  217    HG   SER  28           HG       SER  28  -6.749  -6.980  -7.102
  218    H    GLN  29           H        GLN  29  -8.402  -6.984  -2.525
  219    HA   GLN  29           HA       GLN  29 -10.970  -6.189  -3.472
  220   1HB   GLN  29          2HB       GLN  29  -9.843  -7.149  -0.892
  221   2HB   GLN  29          1HB       GLN  29 -11.380  -6.300  -0.840
  222   1HG   GLN  29          2HG       GLN  29 -12.430  -7.907  -2.205
  223   2HG   GLN  29          1HG       GLN  29 -10.880  -8.629  -2.667
  224   1HE2  GLN  29          1HE2      GLN  29 -13.530  -9.027  -0.784
  225   2HE2  GLN  29          2HE2      GLN  29 -12.880 -10.084   0.419
  226    H    TRP  30           H        TRP  30  -8.322  -4.448  -2.263
  227    HA   TRP  30           HA       TRP  30  -9.471  -2.416  -0.767
  228   1HB   TRP  30          2HB       TRP  30  -7.071  -2.532  -2.565
  229   2HB   TRP  30          1HB       TRP  30  -7.551  -1.005  -1.835
  230    HD1  TRP  30           HD       TRP  30  -8.482  -3.000   0.862
  231    HE1  TRP  30           1HE      TRP  30  -6.580  -3.442   2.539
  232    HE3  TRP  30           3HE      TRP  30  -4.494  -1.772  -2.091
  233    HZ2  TRP  30           2HZ      TRP  30  -3.762  -3.293   2.598
  234    HZ3  TRP  30           3HZ      TRP  30  -2.229  -1.948  -1.148
  235    HH2  TRP  30           HH       TRP  30  -1.874  -2.693   1.149
  236    H    LYS  31           H        LYS  31 -10.760  -0.752  -1.198
  237    HA   LYS  31           HA       LYS  31 -11.790  -0.420  -3.882
  238   1HB   LYS  31          2HB       LYS  31 -12.700   0.113  -1.217
  239   2HB   LYS  31          1HB       LYS  31 -12.810   1.589  -2.164
  240   1HG   LYS  31          2HG       LYS  31 -14.090   0.345  -3.877
  241   2HG   LYS  31          1HG       LYS  31 -14.050  -1.074  -2.832
  242   1HD   LYS  31          2HD       LYS  31 -15.570  -0.217  -1.377
  243   2HD   LYS  31          1HD       LYS  31 -15.020   1.443  -1.623
  244   1HE   LYS  31          2HE       LYS  31 -16.260   0.207  -3.977
  245   2HE   LYS  31          1HE       LYS  31 -17.340   0.389  -2.599
  246   1HZ   LYS  31          1HZ       LYS  31 -16.400   2.776  -2.549
  247   2HZ   LYS  31          2HZ       LYS  31 -17.580   2.383  -3.690
  248   3HZ   LYS  31          3HZ       LYS  31 -15.960   2.468  -4.154
  249    H    GLU  32           H        GLU  32 -12.370   2.307  -3.922
  250    HA   GLU  32           HA       GLU  32 -10.210   3.429  -5.173
  251   1HB   GLU  32          2HB       GLU  32 -12.720   4.425  -4.034
  252   2HB   GLU  32          1HB       GLU  32 -11.450   5.639  -4.087
  253   1HG   GLU  32          2HG       GLU  32 -11.160   5.216  -6.482
  254   2HG   GLU  32          1HG       GLU  32 -12.450   4.026  -6.421
  255    H    VAL  33           H        VAL  33 -10.830   3.230  -1.754
  256    HA   VAL  33           HA       VAL  33  -8.225   4.474  -1.246
  257    HB   VAL  33           HB       VAL  33 -10.630   4.911   0.515
  258   1HG1  VAL  33          1HG1      VAL  33  -8.904   6.868   1.138
  259   2HG1  VAL  33          2HG1      VAL  33  -7.774   5.596   0.675
  260   3HG1  VAL  33          3HG1      VAL  33  -8.948   5.307   1.959
  261   1HG2  VAL  33          1HG2      VAL  33  -9.443   6.655  -1.625
  262   2HG2  VAL  33          2HG2      VAL  33 -10.470   7.285  -0.339
  263   3HG2  VAL  33          3HG2      VAL  33 -11.100   6.098  -1.477
  264    H    ILE  34           H        ILE  34  -6.928   3.176  -0.113
  265    HA   ILE  34           HA       ILE  34  -7.760   0.642   0.809
  266    HB   ILE  34           HB       ILE  34  -5.524   0.462   1.830
  267   1HG1  ILE  34          2HG1      ILE  34  -5.137   3.307   0.874
  268   2HG1  ILE  34          1HG1      ILE  34  -5.354   2.838   2.557
  269   1HG2  ILE  34          1HG2      ILE  34  -5.966   0.076  -0.610
  270   2HG2  ILE  34          2HG2      ILE  34  -4.294   0.461  -0.201
  271   3HG2  ILE  34          3HG2      ILE  34  -5.336   1.697  -0.908
  272   1HD1  ILE  34          1HD1      ILE  34  -3.279   1.785   2.649
  273   2HD1  ILE  34          2HD1      ILE  34  -2.981   3.252   1.718
  274   3HD1  ILE  34          3HD1      ILE  34  -3.140   1.702   0.893
  275    HA   PRO  35           HA       PRO  35  -9.300   1.051   4.898
  276   1HB   PRO  35          2HB       PRO  35  -7.031  -0.666   5.801
  277   2HB   PRO  35          1HB       PRO  35  -8.764  -0.842   6.101
  278   1HG   PRO  35          2HG       PRO  35  -7.549  -2.387   4.315
  279   2HG   PRO  35          1HG       PRO  35  -9.171  -1.743   4.000
  280   1HD   PRO  35          2HD       PRO  35  -6.540  -0.888   2.880
  281   2HD   PRO  35          1HD       PRO  35  -8.138  -0.935   2.106
  282    H    GLU  36           H        GLU  36  -8.717   1.721   7.123
  283    HA   GLU  36           HA       GLU  36  -7.047   4.002   7.084
  284   1HB   GLU  36          2HB       GLU  36  -9.121   3.264   8.609
  285   2HB   GLU  36          1HB       GLU  36  -7.813   2.796   9.688
  286   1HG   GLU  36          2HG       GLU  36  -7.111   4.955  10.000
  287   2HG   GLU  36          1HG       GLU  36  -7.785   5.509   8.468
  288    H    LYS  37           H        LYS  37  -6.755   0.999   8.992
  289    HA   LYS  37           HA       LYS  37  -4.156   1.571   9.925
  290   1HB   LYS  37          2HB       LYS  37  -5.944  -0.802   9.915
  291   2HB   LYS  37          1HB       LYS  37  -4.234  -1.089  10.199
  292   1HG   LYS  37          2HG       LYS  37  -4.403  -0.407  12.297
  293   2HG   LYS  37          1HG       LYS  37  -5.146   1.114  11.800
  294   1HD   LYS  37          2HD       LYS  37  -7.272  -0.395  11.485
  295   2HD   LYS  37          1HD       LYS  37  -6.427  -1.455  12.615
  296   1HE   LYS  37          2HE       LYS  37  -6.404   0.194  14.300
  297   2HE   LYS  37          1HE       LYS  37  -6.849   1.469  13.166
  298   1HZ   LYS  37          1HZ       LYS  37  -9.018   0.932  13.277
  299   2HZ   LYS  37          2HZ       LYS  37  -8.586   0.274  14.775
  300   3HZ   LYS  37          3HZ       LYS  37  -8.732  -0.731  13.422
  301    H    ASP  38           H        ASP  38  -5.222   0.483   6.873
  302    HA   ASP  38           HA       ASP  38  -2.825  -0.969   6.214
  303   1HB   ASP  38          2HB       ASP  38  -5.345  -0.242   4.824
  304   2HB   ASP  38          1HB       ASP  38  -3.932  -0.496   3.803
  305    H    ALA  39           H        ALA  39  -4.242   2.133   5.182
  306    HA   ALA  39           HA       ALA  39  -2.039   2.971   3.649
  307   1HB   ALA  39          1HB       ALA  39  -3.309   5.263   4.705
  308   2HB   ALA  39          2HB       ALA  39  -4.558   4.044   4.461
  309   3HB   ALA  39          3HB       ALA  39  -3.526   4.532   3.116
  310    H    TYR  40           H        TYR  40  -2.564   2.878   7.058
  311    HA   TYR  40           HA       TYR  40  -0.697   4.910   7.779
  312   1HB   TYR  40          2HB       TYR  40  -2.469   4.257   9.312
  313   2HB   TYR  40          1HB       TYR  40  -1.847   2.605   9.367
  314    HD1  TYR  40           1HD      TYR  40  -0.816   6.118  10.089
  315    HD2  TYR  40           2HD      TYR  40  -0.393   1.999  11.065
  316    HE1  TYR  40           1HE      TYR  40   0.602   6.727  12.000
  317    HE2  TYR  40           2HE      TYR  40   1.028   2.596  12.985
  318    HH   TYR  40           HH       TYR  40   2.530   4.567  13.622
  319    H    ARG  41           H        ARG  41  -0.521   1.374   8.221
  320    HA   ARG  41           HA       ARG  41   2.186   1.263   8.852
  321   1HB   ARG  41          2HB       ARG  41   0.539  -0.850   7.458
  322   2HB   ARG  41          1HB       ARG  41   2.053  -1.119   8.307
  323   1HG   ARG  41          2HG       ARG  41   1.083  -0.726  10.399
  324   2HG   ARG  41          1HG       ARG  41  -0.343   0.038   9.691
  325   1HD   ARG  41          2HD       ARG  41  -1.349  -1.943   9.879
  326   2HD   ARG  41          1HD       ARG  41  -0.312  -2.489   8.563
  327    HE   ARG  41           HE       ARG  41   0.904  -3.721  10.066
  328   1HH1  ARG  41          1HH1      ARG  41  -1.143  -1.494  11.805
  329   2HH1  ARG  41          2HH1      ARG  41  -0.814  -2.203  13.351
  330   1HH2  ARG  41          1HH2      ARG  41   1.336  -4.655  12.097
  331   2HH2  ARG  41          2HH2      ARG  41   0.593  -3.997  13.516
  332    H    LEU  42           H        LEU  42   0.665   1.755   5.805
  333    HA   LEU  42           HA       LEU  42   2.657   0.741   4.097
  334   1HB   LEU  42          2HB       LEU  42   0.424   2.695   3.819
  335   2HB   LEU  42          1HB       LEU  42   1.633   2.625   2.550
  336    HG   LEU  42           HG       LEU  42  -0.060   0.304   3.480
  337   1HD1  LEU  42          1HD1      LEU  42  -0.224   1.454   0.749
  338   2HD1  LEU  42          2HD1      LEU  42  -1.008   2.330   2.064
  339   3HD1  LEU  42          3HD1      LEU  42  -1.462   0.659   1.722
  340   1HD2  LEU  42          1HD2      LEU  42   2.271   0.541   1.675
  341   2HD2  LEU  42          2HD2      LEU  42   0.937  -0.473   1.126
  342   3HD2  LEU  42          3HD2      LEU  42   1.731  -0.817   2.661
  343    H    GLU  43           H        GLU  43   2.230   3.929   5.573
  344    HA   GLU  43           HA       GLU  43   4.181   5.333   4.193
  345   1HB   GLU  43          2HB       GLU  43   2.511   6.190   5.930
  346   2HB   GLU  43          1HB       GLU  43   3.679   5.681   7.144
  347   1HG   GLU  43          2HG       GLU  43   5.347   7.172   6.161
  348   2HG   GLU  43          1HG       GLU  43   4.172   7.685   4.951
  349    H    ILE  44           H        ILE  44   4.544   3.532   7.242
  350    HA   ILE  44           HA       ILE  44   7.263   3.959   7.608
  351    HB   ILE  44           HB       ILE  44   5.781   1.468   8.414
  352   1HG1  ILE  44          2HG1      ILE  44   5.718   3.091  10.593
  353   2HG1  ILE  44          1HG1      ILE  44   5.540   4.272   9.306
  354   1HG2  ILE  44          1HG2      ILE  44   8.258   2.850   9.402
  355   2HG2  ILE  44          2HG2      ILE  44   8.072   1.185   8.849
  356   3HG2  ILE  44          3HG2      ILE  44   7.372   1.686  10.387
  357   1HD1  ILE  44          1HD1      ILE  44   3.375   3.805   9.423
  358   2HD1  ILE  44          2HD1      ILE  44   3.651   2.319  10.333
  359   3HD1  ILE  44          3HD1      ILE  44   3.781   2.315   8.574
  360    H    VAL  45           H        VAL  45   5.641   1.230   5.965
  361    HA   VAL  45           HA       VAL  45   7.999  -0.194   5.386
  362    HB   VAL  45           HB       VAL  45   6.641  -1.286   3.571
  363   1HG1  VAL  45          1HG1      VAL  45   4.822  -1.990   5.441
  364   2HG1  VAL  45          2HG1      VAL  45   6.059  -1.246   6.454
  365   3HG1  VAL  45          3HG1      VAL  45   6.478  -2.594   5.399
  366   1HG2  VAL  45          1HG2      VAL  45   5.188   0.603   3.052
  367   2HG2  VAL  45          2HG2      VAL  45   4.463   0.491   4.655
  368   3HG2  VAL  45          3HG2      VAL  45   4.249  -0.821   3.497
  369    H    THR  46           H        THR  46   6.223   2.235   3.541
  370    HA   THR  46           HA       THR  46   7.959   2.049   1.267
  371    HB   THR  46           HB       THR  46   6.646   3.928   0.414
  372    HG1  THR  46           1HG      THR  46   5.308   3.893   2.904
  373   1HG2  THR  46          1HG2      THR  46   4.365   2.564   1.488
  374   2HG2  THR  46          2HG2      THR  46   5.615   1.416   1.005
  375   3HG2  THR  46          3HG2      THR  46   4.992   2.584  -0.162
  376    H    ALA  47           H        ALA  47   8.669   3.157   4.209
  377    HA   ALA  47           HA       ALA  47  10.252   4.553   5.051
  378   1HB   ALA  47          1HB       ALA  47  11.036   4.288   2.211
  379   2HB   ALA  47          2HB       ALA  47  11.955   3.960   3.680
  380   3HB   ALA  47          3HB       ALA  47  11.756   5.619   3.115
  381    H    GLY  48           H        GLY  48   7.642   5.571   4.455
  382   1HA   GLY  48          2HA       GLY  48   6.625   7.629   4.718
  383   2HA   GLY  48          1HA       GLY  48   8.215   8.375   4.675
  384    H    ALA  49           H        ALA  49   7.180   6.263   2.111
  385    HA   ALA  49           HA       ALA  49   7.693   8.139   0.093
  386   1HB   ALA  49          1HB       ALA  49   7.665   5.669  -0.206
  387   2HB   ALA  49          2HB       ALA  49   6.752   6.545  -1.435
  388   3HB   ALA  49          3HB       ALA  49   5.905   5.722  -0.126
  389    H    LEU  50           H        LEU  50   4.544   6.897   1.223
  390    HA   LEU  50           HA       LEU  50   3.235   9.202  -0.023
  391   1HB   LEU  50          2HB       LEU  50   2.179   6.601   1.071
  392   2HB   LEU  50          1HB       LEU  50   1.129   7.918   0.583
  393    HG   LEU  50           HG       LEU  50   3.087   7.103  -1.456
  394   1HD1  LEU  50          1HD1      LEU  50   2.199   5.029  -2.006
  395   2HD1  LEU  50          2HD1      LEU  50   0.767   5.265  -1.004
  396   3HD1  LEU  50          3HD1      LEU  50   2.331   4.957  -0.248
  397   1HD2  LEU  50          1HD2      LEU  50   0.187   7.104  -1.967
  398   2HD2  LEU  50          2HD2      LEU  50   1.504   7.851  -2.872
  399   3HD2  LEU  50          3HD2      LEU  50   0.871   8.636  -1.425
  400    H    LYS  51           H        LYS  51   1.952  10.636   1.135
  401    HA   LYS  51           HA       LYS  51   2.517  10.712   4.006
  402   1HB   LYS  51          2HB       LYS  51   1.869  13.056   3.906
  403   2HB   LYS  51          1HB       LYS  51   3.082  12.704   2.682
  404   1HG   LYS  51          2HG       LYS  51   0.847  12.316   1.241
  405   2HG   LYS  51          1HG       LYS  51   0.272  13.528   2.385
  406   1HD   LYS  51          2HD       LYS  51   2.912  14.072   1.208
  407   2HD   LYS  51          1HD       LYS  51   1.563  14.098   0.070
  408   1HE   LYS  51          2HE       LYS  51   1.808  16.311   0.884
  409   2HE   LYS  51          1HE       LYS  51   0.384  15.637   1.675
  410   1HZ   LYS  51          1HZ       LYS  51   2.939  16.423   2.810
  411   2HZ   LYS  51          2HZ       LYS  51   2.268  15.002   3.436
  412   3HZ   LYS  51          3HZ       LYS  51   1.393  16.448   3.498
  413    H    TYR  52           H        TYR  52   1.048   9.813   5.276
  414    HA   TYR  52           HA       TYR  52  -1.629   9.292   4.500
  415   1HB   TYR  52          2HB       TYR  52  -0.202   8.063   6.247
  416   2HB   TYR  52          1HB       TYR  52  -0.643   9.363   7.347
  417    HD1  TYR  52           1HD      TYR  52  -3.342   9.858   7.243
  418    HD2  TYR  52           2HD      TYR  52  -1.430   6.141   6.455
  419    HE1  TYR  52           1HE      TYR  52  -5.419   8.678   7.809
  420    HE2  TYR  52           2HE      TYR  52  -3.507   4.951   7.017
  421    HH   TYR  52           HH       TYR  52  -5.914   6.155   8.707
  422    H    GLN  53           H        GLN  53  -3.441  10.452   4.734
  423    HA   GLN  53           HA       GLN  53  -3.273  12.977   6.246
  424   1HB   GLN  53          2HB       GLN  53  -4.223  12.387   3.532
  425   2HB   GLN  53          1HB       GLN  53  -5.353  13.340   4.484
  426   1HG   GLN  53          2HG       GLN  53  -3.978  15.146   4.572
  427   2HG   GLN  53          1HG       GLN  53  -2.509  14.173   4.486
  428   1HE2  GLN  53          1HE2      GLN  53  -2.151  16.104   2.967
  429   2HE2  GLN  53          2HE2      GLN  53  -2.524  15.823   1.303
  430    H    GLU  54           H        GLU  54  -5.002  13.537   7.561
  431    HA   GLU  54           HA       GLU  54  -6.727  11.316   8.308
  432   1HB   GLU  54          2HB       GLU  54  -5.722  13.755   9.612
  433   2HB   GLU  54          1HB       GLU  54  -7.379  13.339  10.023
  434   1HG   GLU  54          2HG       GLU  54  -6.564  11.042  10.594
  435   2HG   GLU  54          1HG       GLU  54  -4.921  11.653  10.392
  436    H    ASN  55           H        ASN  55  -7.327  12.491   5.797
  437    HA   ASN  55           HA       ASN  55  -9.659  14.165   6.243
  438   1HB   ASN  55          2HB       ASN  55  -7.802  13.888   4.140
  439   2HB   ASN  55          1HB       ASN  55  -9.349  13.352   3.497
  440   1HD2  ASN  55          1HD2      ASN  55  -8.232  15.535   2.431
  441   2HD2  ASN  55          2HD2      ASN  55  -9.087  16.959   2.905
  442    H    ALA  56           H        ALA  56  -9.257  11.450   3.990
  443    HA   ALA  56           HA       ALA  56 -11.980  10.681   4.247
  444   1HB   ALA  56          1HB       ALA  56 -10.570  10.372   2.201
  445   2HB   ALA  56          2HB       ALA  56 -11.490   8.948   2.691
  446   3HB   ALA  56          3HB       ALA  56  -9.764   9.048   3.039
  447    H    TYR  57           H        TYR  57  -9.251  10.050   6.137
  448    HA   TYR  57           HA       TYR  57 -10.310   7.520   7.156
  449   1HB   TYR  57          2HB       TYR  57  -7.698   8.949   7.682
  450   2HB   TYR  57          1HB       TYR  57  -8.160   7.412   8.405
  451    HD1  TYR  57           1HD      TYR  57  -6.454   8.935   5.736
  452    HD2  TYR  57           2HD      TYR  57  -8.822   5.532   6.684
  453    HE1  TYR  57           1HE      TYR  57  -5.519   7.753   3.793
  454    HE2  TYR  57           2HE      TYR  57  -7.894   4.337   4.745
  455    HH   TYR  57           HH       TYR  57  -6.843   5.027   2.488
  456    H    ARG  58           H        ARG  58 -11.550  10.177   7.657
  457    HA   ARG  58           HA       ARG  58 -11.120  10.489  10.536
  458   1HB   ARG  58          2HB       ARG  58 -11.560  12.325   8.490
  459   2HB   ARG  58          1HB       ARG  58 -13.100  12.266   9.342
  460   1HG   ARG  58          2HG       ARG  58 -11.170  12.392  11.347
  461   2HG   ARG  58          1HG       ARG  58 -10.620  13.516  10.103
  462   1HD   ARG  58          2HD       ARG  58 -12.810  14.606  10.125
  463   2HD   ARG  58          1HD       ARG  58 -13.360  13.482  11.369
  464    HE   ARG  58           HE       ARG  58 -11.120  14.634  12.429
  465   1HH1  ARG  58          1HH1      ARG  58 -14.120  15.847  11.127
  466   2HH1  ARG  58          2HH1      ARG  58 -14.140  17.252  12.139
  467   1HH2  ARG  58          1HH2      ARG  58 -11.140  16.481  13.761
  468   2HH2  ARG  58          2HH2      ARG  58 -12.440  17.613  13.634
  469    H    GLN  59           H        GLN  59 -12.150   8.463  11.048
  470    HA   GLN  59           HA       GLN  59 -15.080   8.538  10.806
  471   1HB   GLN  59          2HB       GLN  59 -13.390   6.541   9.992
  472   2HB   GLN  59          1HB       GLN  59 -13.860   5.984  11.593
  473   1HG   GLN  59          2HG       GLN  59 -16.270   6.543  10.744
  474   2HG   GLN  59          1HG       GLN  59 -15.520   6.375   9.157
  475   1HE2  GLN  59          1HE2      GLN  59 -15.200   4.661  12.251
  476   2HE2  GLN  59          2HE2      GLN  59 -15.470   3.085  11.601
  477    H    ALA  60           H        ALA  60 -16.030   7.014  12.669
  478    HA   ALA  60           HA       ALA  60 -14.700   7.319  15.209
  479   1HB   ALA  60          1HB       ALA  60 -15.850   9.024  16.122
  480   2HB   ALA  60          2HB       ALA  60 -17.350   8.605  15.280
  481   3HB   ALA  60          3HB       ALA  60 -16.080   9.508  14.442
  482    H    ALA  61           H        ALA  61 -15.700   6.138  16.888
  483    HA   ALA  61           HA       ALA  61 -17.290   3.927  15.952
  484   1HB   ALA  61          1HB       ALA  61 -16.470   4.495  18.794
  485   2HB   ALA  61          2HB       ALA  61 -15.400   3.738  17.610
  486   3HB   ALA  61          3HB       ALA  61 -16.910   2.943  18.079
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  -5.853   9.245  -0.295
    2   2H    MET   1          2HT       MET   1  -4.943   9.109   1.153
    3   3H    MET   1          3HT       MET   1  -6.266   8.054   0.867
    4    HA   MET   1           HA       MET   1  -3.867   8.186  -0.826
    5   1HB   MET   1          2HB       MET   1  -4.433   6.826   1.743
    6   2HB   MET   1          1HB       MET   1  -3.681   5.834   0.501
    7   1HG   MET   1          2HG       MET   1  -2.417   8.435   0.798
    8   2HG   MET   1          1HG       MET   1  -2.384   7.473   2.275
    9   1HE   MET   1          1HE       MET   1  -0.661   6.177   2.860
   10   2HE   MET   1          2HE       MET   1   0.507   7.260   2.105
   11   3HE   MET   1          3HE       MET   1   0.635   5.518   1.860
   12    H    TYR   2           H        TYR   2  -4.431   7.421  -2.752
   13    HA   TYR   2           HA       TYR   2  -6.717   5.632  -3.003
   14   1HB   TYR   2          2HB       TYR   2  -5.128   7.312  -4.899
   15   2HB   TYR   2          1HB       TYR   2  -6.042   5.948  -5.532
   16    HD1  TYR   2           1HD      TYR   2  -6.967   8.233  -2.748
   17    HD2  TYR   2           2HD      TYR   2  -7.766   6.981  -6.734
   18    HE1  TYR   2           1HE      TYR   2  -9.002   9.614  -2.766
   19    HE2  TYR   2           2HE      TYR   2  -9.803   8.358  -6.765
   20    HH   TYR   2           HH       TYR   2 -11.170   9.678  -3.982
   21    H    LYS   3           H        LYS   3  -6.624   3.567  -3.833
   22    HA   LYS   3           HA       LYS   3  -4.402   2.001  -3.237
   23   1HB   LYS   3          2HB       LYS   3  -6.918   1.392  -3.740
   24   2HB   LYS   3          1HB       LYS   3  -6.308   1.126  -5.368
   25   1HG   LYS   3          2HG       LYS   3  -4.594  -0.148  -3.449
   26   2HG   LYS   3          1HG       LYS   3  -6.268  -0.654  -3.209
   27   1HD   LYS   3          2HD       LYS   3  -5.366  -0.568  -6.010
   28   2HD   LYS   3          1HD       LYS   3  -4.572  -1.778  -5.000
   29   1HE   LYS   3          2HE       LYS   3  -6.830  -2.564  -4.293
   30   2HE   LYS   3          1HE       LYS   3  -7.532  -1.451  -5.466
   31   1HZ   LYS   3          1HZ       LYS   3  -7.430  -3.351  -6.695
   32   2HZ   LYS   3          2HZ       LYS   3  -6.042  -3.933  -5.921
   33   3HZ   LYS   3          3HZ       LYS   3  -5.914  -2.702  -7.075
   34    H    LYS   4           H        LYS   4  -5.182   3.789  -6.112
   35    HA   LYS   4           HA       LYS   4  -3.585   2.469  -7.984
   36   1HB   LYS   4          2HB       LYS   4  -5.249   4.257  -8.495
   37   2HB   LYS   4          1HB       LYS   4  -4.123   5.439  -7.843
   38   1HG   LYS   4          2HG       LYS   4  -2.760   5.347  -9.651
   39   2HG   LYS   4          1HG       LYS   4  -3.109   3.646  -9.967
   40   1HD   LYS   4          2HD       LYS   4  -5.496   4.570 -10.549
   41   2HD   LYS   4          1HD       LYS   4  -4.621   6.084 -10.788
   42   1HE   LYS   4          2HE       LYS   4  -4.416   5.256 -12.889
   43   2HE   LYS   4          1HE       LYS   4  -3.018   4.460 -12.168
   44   1HZ   LYS   4          1HZ       LYS   4  -4.536   3.004 -13.507
   45   2HZ   LYS   4          2HZ       LYS   4  -5.696   3.197 -12.292
   46   3HZ   LYS   4          3HZ       LYS   4  -4.215   2.459 -11.937
   47    H    ASP   5           H        ASP   5  -2.790   5.230  -5.883
   48    HA   ASP   5           HA       ASP   5  -0.144   5.568  -6.712
   49   1HB   ASP   5          2HB       ASP   5  -1.670   6.265  -4.236
   50   2HB   ASP   5          1HB       ASP   5   0.083   6.444  -4.229
   51    H    VAL   6           H        VAL   6  -1.462   3.606  -4.057
   52    HA   VAL   6           HA       VAL   6   0.923   2.668  -3.006
   53    HB   VAL   6           HB       VAL   6  -1.526   0.939  -3.155
   54   1HG1  VAL   6          1HG1      VAL   6   0.017  -0.189  -1.928
   55   2HG1  VAL   6          2HG1      VAL   6  -0.709   0.782  -0.648
   56   3HG1  VAL   6          3HG1      VAL   6   0.813   1.284  -1.380
   57   1HG2  VAL   6          1HG2      VAL   6  -2.658   2.824  -2.525
   58   2HG2  VAL   6          2HG2      VAL   6  -1.235   3.572  -1.803
   59   3HG2  VAL   6          3HG2      VAL   6  -2.086   2.285  -0.949
   60    H    ILE   7           H        ILE   7  -1.183   1.159  -5.452
   61    HA   ILE   7           HA       ILE   7   0.407  -1.094  -5.933
   62    HB   ILE   7           HB       ILE   7  -1.541   0.346  -7.734
   63   1HG1  ILE   7          2HG1      ILE   7  -1.764  -2.175  -6.076
   64   2HG1  ILE   7          1HG1      ILE   7  -2.523  -0.628  -5.718
   65   1HG2  ILE   7          1HG2      ILE   7  -0.157  -2.295  -8.150
   66   2HG2  ILE   7          2HG2      ILE   7  -0.049  -0.857  -9.164
   67   3HG2  ILE   7          3HG2      ILE   7  -1.564  -1.755  -9.065
   68   1HD1  ILE   7          1HD1      ILE   7  -4.041  -0.837  -7.471
   69   2HD1  ILE   7          2HD1      ILE   7  -3.956  -2.454  -6.771
   70   3HD1  ILE   7          3HD1      ILE   7  -3.092  -2.094  -8.265
   71    H    ASP   8           H        ASP   8   0.681   2.185  -7.060
   72    HA   ASP   8           HA       ASP   8   2.468   1.601  -9.220
   73   1HB   ASP   8          2HB       ASP   8   1.014   3.854  -8.317
   74   2HB   ASP   8          1HB       ASP   8   2.714   4.313  -8.297
   75    H    HIS   9           H        HIS   9   2.752   2.204  -5.823
   76    HA   HIS   9           HA       HIS   9   5.592   2.728  -5.964
   77   1HB   HIS   9          2HB       HIS   9   4.359   3.926  -4.274
   78   2HB   HIS   9          1HB       HIS   9   3.695   2.429  -3.630
   79    HD1  HIS   9           1HD      HIS   9   6.634   4.658  -3.436
   80    HD2  HIS   9           2HD      HIS   9   5.566   0.855  -2.144
   81    HE1  HIS   9           1HE      HIS   9   8.350   4.027  -1.707
   82    HE2  HIS   9           2HE      HIS   9   7.633   1.760  -0.879
   83    H    PHE  10           H        PHE  10   3.426   0.090  -5.229
   84    HA   PHE  10           HA       PHE  10   5.617  -1.625  -4.358
   85   1HB   PHE  10          2HB       PHE  10   2.628  -1.893  -4.408
   86   2HB   PHE  10          1HB       PHE  10   3.645  -3.313  -4.203
   87    HD1  PHE  10           1HD      PHE  10   2.344  -0.306  -2.656
   88    HD2  PHE  10           2HD      PHE  10   5.085  -3.529  -2.233
   89    HE1  PHE  10           1HE      PHE  10   2.533   0.180  -0.253
   90    HE2  PHE  10           2HE      PHE  10   5.280  -3.054   0.176
   91    HZ   PHE  10           HZ       PHE  10   4.003  -1.194   1.168
   92    H    GLY  11           H        GLY  11   3.464  -1.162  -7.086
   93   1HA   GLY  11          2HA       GLY  11   3.968  -1.802  -9.296
   94   2HA   GLY  11          1HA       GLY  11   5.155  -2.939  -8.672
   95    H    THR  12           H        THR  12   3.679  -4.399  -6.890
   96    HA   THR  12           HA       THR  12   1.433  -5.476  -8.445
   97    HB   THR  12           HB       THR  12   2.413  -7.772  -7.491
   98    HG1  THR  12           1HG      THR  12   4.262  -7.111  -6.576
   99   1HG2  THR  12          1HG2      THR  12   3.897  -7.771  -9.691
  100   2HG2  THR  12          2HG2      THR  12   2.908  -6.353 -10.032
  101   3HG2  THR  12          3HG2      THR  12   2.140  -7.910  -9.728
  102    H    GLN  13           H        GLN  13  -0.177  -6.509  -7.226
  103    HA   GLN  13           HA       GLN  13  -0.729  -5.436  -4.724
  104   1HB   GLN  13          2HB       GLN  13  -1.796  -8.074  -5.725
  105   2HB   GLN  13          1HB       GLN  13  -2.573  -6.958  -4.610
  106   1HG   GLN  13          2HG       GLN  13  -2.541  -5.289  -6.540
  107   2HG   GLN  13          1HG       GLN  13  -2.172  -6.674  -7.566
  108   1HE2  GLN  13          1HE2      GLN  13  -3.684  -8.618  -7.006
  109   2HE2  GLN  13          2HE2      GLN  13  -5.366  -8.228  -6.958
  110    H    ARG  14           H        ARG  14   0.444  -8.705  -5.508
  111    HA   ARG  14           HA       ARG  14   0.595  -9.837  -3.034
  112   1HB   ARG  14          2HB       ARG  14   1.695 -10.355  -5.578
  113   2HB   ARG  14          1HB       ARG  14   3.032 -10.442  -4.442
  114   1HG   ARG  14          2HG       ARG  14   2.370 -12.568  -4.208
  115   2HG   ARG  14          1HG       ARG  14   1.170 -11.877  -3.117
  116   1HD   ARG  14          2HD       ARG  14   0.091 -13.387  -4.659
  117   2HD   ARG  14          1HD       ARG  14  -0.418 -11.737  -4.999
  118    HE   ARG  14           HE       ARG  14   1.339 -13.399  -6.647
  119   1HH1  ARG  14          1HH1      ARG  14  -0.365 -10.379  -6.195
  120   2HH1  ARG  14          2HH1      ARG  14  -0.206  -9.904  -7.851
  121   1HH2  ARG  14          1HH2      ARG  14   1.547 -12.766  -8.819
  122   2HH2  ARG  14          2HH2      ARG  14   0.878 -11.255  -9.339
  123    H    ALA  15           H        ALA  15   2.859  -7.516  -4.430
  124    HA   ALA  15           HA       ALA  15   4.861  -7.662  -2.481
  125   1HB   ALA  15          1HB       ALA  15   5.833  -6.061  -3.695
  126   2HB   ALA  15          2HB       ALA  15   4.454  -4.976  -3.524
  127   3HB   ALA  15          3HB       ALA  15   4.454  -6.209  -4.784
  128    H    VAL  16           H        VAL  16   2.092  -5.439  -2.718
  129    HA   VAL  16           HA       VAL  16   2.533  -3.988  -0.398
  130    HB   VAL  16           HB       VAL  16  -0.298  -4.616  -1.036
  131   1HG1  VAL  16          1HG1      VAL  16  -0.651  -2.402  -0.494
  132   2HG1  VAL  16          2HG1      VAL  16   0.986  -1.927  -0.946
  133   3HG1  VAL  16          3HG1      VAL  16   0.709  -2.830   0.542
  134   1HG2  VAL  16          1HG2      VAL  16   0.357  -4.623  -3.274
  135   2HG2  VAL  16          2HG2      VAL  16   1.609  -3.409  -3.011
  136   3HG2  VAL  16          3HG2      VAL  16  -0.090  -2.941  -2.987
  137    H    ALA  17           H        ALA  17   0.710  -7.000  -0.844
  138    HA   ALA  17           HA       ALA  17  -0.169  -7.224   1.831
  139   1HB   ALA  17          1HB       ALA  17  -1.175  -9.127   1.162
  140   2HB   ALA  17          2HB       ALA  17   0.262  -9.722   0.330
  141   3HB   ALA  17          3HB       ALA  17  -0.775  -8.525  -0.447
  142    H    LYS  18           H        LYS  18   2.804  -8.078   0.227
  143    HA   LYS  18           HA       LYS  18   3.743  -9.641   2.494
  144   1HB   LYS  18          2HB       LYS  18   4.408  -9.440  -0.299
  145   2HB   LYS  18          1HB       LYS  18   5.856  -9.221   0.674
  146   1HG   LYS  18          2HG       LYS  18   3.982 -11.509   1.153
  147   2HG   LYS  18          1HG       LYS  18   5.254 -11.588  -0.067
  148   1HD   LYS  18          2HD       LYS  18   6.293 -10.585   2.429
  149   2HD   LYS  18          1HD       LYS  18   5.485 -12.136   2.668
  150   1HE   LYS  18          2HE       LYS  18   6.889 -12.654   0.420
  151   2HE   LYS  18          1HE       LYS  18   7.956 -11.485   1.196
  152   1HZ   LYS  18          1HZ       LYS  18   8.696 -13.407   2.133
  153   2HZ   LYS  18          2HZ       LYS  18   7.189 -14.171   2.074
  154   3HZ   LYS  18          3HZ       LYS  18   7.502 -13.009   3.262
  155    H    ALA  19           H        ALA  19   3.228  -6.656   2.602
  156    HA   ALA  19           HA       ALA  19   5.858  -5.933   3.699
  157   1HB   ALA  19          1HB       ALA  19   4.249  -4.490   1.683
  158   2HB   ALA  19          2HB       ALA  19   5.996  -4.538   1.922
  159   3HB   ALA  19          3HB       ALA  19   4.994  -3.511   2.948
  160    H    LEU  20           H        LEU  20   2.390  -5.169   3.638
  161    HA   LEU  20           HA       LEU  20   2.514  -3.779   6.159
  162   1HB   LEU  20          2HB       LEU  20   0.104  -4.703   4.594
  163   2HB   LEU  20          1HB       LEU  20   0.095  -3.563   5.927
  164    HG   LEU  20           HG       LEU  20   1.659  -3.001   3.425
  165   1HD1  LEU  20          1HD1      LEU  20  -0.536  -1.520   3.051
  166   2HD1  LEU  20          2HD1      LEU  20  -1.266  -2.925   3.825
  167   3HD1  LEU  20          3HD1      LEU  20  -0.324  -3.123   2.349
  168   1HD2  LEU  20          1HD2      LEU  20   0.355  -1.153   5.415
  169   2HD2  LEU  20          2HD2      LEU  20   1.486  -0.725   4.131
  170   3HD2  LEU  20          3HD2      LEU  20   2.035  -1.678   5.508
  171    H    GLY  21           H        GLY  21   1.722  -6.992   5.036
  172   1HA   GLY  21          2HA       GLY  21   2.012  -8.834   6.586
  173   2HA   GLY  21          1HA       GLY  21   1.363  -7.801   7.851
  174    H    ILE  22           H        ILE  22  -0.070  -7.916   4.674
  175    HA   ILE  22           HA       ILE  22  -2.373  -9.356   5.825
  176    HB   ILE  22           HB       ILE  22  -3.784  -8.147   4.193
  177   1HG1  ILE  22          2HG1      ILE  22  -1.300  -6.498   3.679
  178   2HG1  ILE  22          1HG1      ILE  22  -1.971  -7.676   2.554
  179   1HG2  ILE  22          1HG2      ILE  22  -4.039  -7.061   6.151
  180   2HG2  ILE  22          2HG2      ILE  22  -3.176  -5.775   5.309
  181   3HG2  ILE  22          3HG2      ILE  22  -2.305  -6.860   6.390
  182   1HD1  ILE  22          1HD1      ILE  22  -3.611  -6.295   1.887
  183   2HD1  ILE  22          2HD1      ILE  22  -2.507  -5.050   2.474
  184   3HD1  ILE  22          3HD1      ILE  22  -3.834  -5.605   3.494
  185    H    SER  23           H        SER  23  -3.831 -10.101   3.803
  186    HA   SER  23           HA       SER  23  -2.131 -11.968   2.357
  187   1HB   SER  23          2HB       SER  23  -4.340 -12.557   3.574
  188   2HB   SER  23          1HB       SER  23  -5.131 -11.861   2.159
  189    HG   SER  23           HG       SER  23  -4.058 -13.382   0.875
  190    H    ASP  24           H        ASP  24  -2.531 -12.380   0.047
  191    HA   ASP  24           HA       ASP  24  -2.210 -10.066  -1.495
  192   1HB   ASP  24          2HB       ASP  24  -3.148 -12.743  -2.537
  193   2HB   ASP  24          1HB       ASP  24  -2.258 -11.503  -3.416
  194    H    ALA  25           H        ALA  25  -5.064 -11.868  -0.605
  195    HA   ALA  25           HA       ALA  25  -6.807 -10.708  -2.534
  196   1HB   ALA  25          1HB       ALA  25  -6.978 -12.709  -0.559
  197   2HB   ALA  25          2HB       ALA  25  -8.176 -12.285  -1.782
  198   3HB   ALA  25          3HB       ALA  25  -8.232 -11.524  -0.191
  199    H    ALA  26           H        ALA  26  -5.781  -9.827   0.698
  200    HA   ALA  26           HA       ALA  26  -7.742  -7.931   1.313
  201   1HB   ALA  26          1HB       ALA  26  -6.095  -8.807   2.926
  202   2HB   ALA  26          2HB       ALA  26  -6.170  -7.045   2.925
  203   3HB   ALA  26          3HB       ALA  26  -4.836  -7.870   2.120
  204    H    VAL  27           H        VAL  27  -4.671  -7.582  -0.421
  205    HA   VAL  27           HA       VAL  27  -4.821  -4.779  -0.760
  206    HB   VAL  27           HB       VAL  27  -3.386  -6.767  -2.527
  207   1HG1  VAL  27          1HG1      VAL  27  -1.905  -4.877  -3.032
  208   2HG1  VAL  27          2HG1      VAL  27  -2.922  -3.823  -2.051
  209   3HG1  VAL  27          3HG1      VAL  27  -3.568  -4.554  -3.521
  210   1HG2  VAL  27          1HG2      VAL  27  -2.484  -5.387  -0.002
  211   2HG2  VAL  27          2HG2      VAL  27  -1.419  -6.266  -1.099
  212   3HG2  VAL  27          3HG2      VAL  27  -2.706  -7.120  -0.247
  213    H    SER  28           H        SER  28  -5.691  -7.480  -2.907
  214    HA   SER  28           HA       SER  28  -6.603  -5.849  -5.032
  215   1HB   SER  28          2HB       SER  28  -7.316  -7.835  -6.063
  216   2HB   SER  28          1HB       SER  28  -5.965  -8.355  -5.057
  217    HG   SER  28           HG       SER  28  -7.670  -8.821  -3.436
  218    H    GLN  29           H        GLN  29  -8.093  -7.040  -2.119
  219    HA   GLN  29           HA       GLN  29 -10.790  -6.560  -2.915
  220   1HB   GLN  29          2HB       GLN  29  -9.395  -7.236  -0.371
  221   2HB   GLN  29          1HB       GLN  29 -11.010  -6.551  -0.264
  222   1HG   GLN  29          2HG       GLN  29 -11.930  -8.340  -1.527
  223   2HG   GLN  29          1HG       GLN  29 -10.340  -8.959  -1.933
  224   1HE2  GLN  29          1HE2      GLN  29 -12.610 -10.236  -0.578
  225   2HE2  GLN  29          2HE2      GLN  29 -12.000 -10.798   0.935
  226    H    TRP  30           H        TRP  30  -8.240  -4.540  -1.824
  227    HA   TRP  30           HA       TRP  30  -9.535  -2.528  -0.445
  228   1HB   TRP  30          2HB       TRP  30  -7.193  -2.469  -2.334
  229   2HB   TRP  30          1HB       TRP  30  -7.766  -1.007  -1.541
  230    HD1  TRP  30           HD       TRP  30  -8.396  -3.106   1.150
  231    HE1  TRP  30           1HE      TRP  30  -6.385  -3.434   2.722
  232    HE3  TRP  30           3HE      TRP  30  -4.662  -1.536  -1.970
  233    HZ2  TRP  30           2HZ      TRP  30  -3.584  -3.078   2.646
  234    HZ3  TRP  30           3HZ      TRP  30  -2.345  -1.560  -1.143
  235    HH2  TRP  30           HH       TRP  30  -1.820  -2.314   1.118
  236    H    LYS  31           H        LYS  31 -10.280  -0.431  -1.115
  237    HA   LYS  31           HA       LYS  31 -11.640  -0.523  -3.720
  238   1HB   LYS  31          2HB       LYS  31 -12.420   0.414  -1.043
  239   2HB   LYS  31          1HB       LYS  31 -12.840   1.516  -2.343
  240   1HG   LYS  31          2HG       LYS  31 -13.500  -1.306  -2.830
  241   2HG   LYS  31          1HG       LYS  31 -14.390  -0.534  -1.515
  242   1HD   LYS  31          2HD       LYS  31 -15.100   1.240  -3.013
  243   2HD   LYS  31          1HD       LYS  31 -14.160   0.535  -4.329
  244   1HE   LYS  31          2HE       LYS  31 -16.400  -0.149  -4.684
  245   2HE   LYS  31          1HE       LYS  31 -15.550  -1.554  -4.034
  246   1HZ   LYS  31          1HZ       LYS  31 -16.580  -1.313  -1.978
  247   2HZ   LYS  31          2HZ       LYS  31 -17.820  -0.985  -3.076
  248   3HZ   LYS  31          3HZ       LYS  31 -17.050   0.285  -2.274
  249    H    GLU  32           H        GLU  32 -12.280   2.085  -4.106
  250    HA   GLU  32           HA       GLU  32 -10.110   3.195  -5.349
  251   1HB   GLU  32          2HB       GLU  32 -12.770   3.966  -4.816
  252   2HB   GLU  32          1HB       GLU  32 -11.760   5.321  -4.334
  253   1HG   GLU  32          2HG       GLU  32 -11.110   5.768  -6.453
  254   2HG   GLU  32          1HG       GLU  32 -11.170   4.077  -6.946
  255    H    VAL  33           H        VAL  33 -10.950   3.335  -1.976
  256    HA   VAL  33           HA       VAL  33  -8.516   4.917  -1.481
  257    HB   VAL  33           HB       VAL  33 -11.030   5.054   0.186
  258   1HG1  VAL  33          1HG1      VAL  33  -8.500   5.582   0.969
  259   2HG1  VAL  33          2HG1      VAL  33  -9.926   6.391   1.621
  260   3HG1  VAL  33          3HG1      VAL  33  -8.982   7.159   0.343
  261   1HG2  VAL  33          1HG2      VAL  33 -10.770   6.141  -2.291
  262   2HG2  VAL  33          2HG2      VAL  33 -10.160   7.449  -1.277
  263   3HG2  VAL  33          3HG2      VAL  33 -11.780   6.805  -1.007
  264    H    ILE  34           H        ILE  34  -7.055   3.777  -0.399
  265    HA   ILE  34           HA       ILE  34  -7.440   1.226   0.635
  266    HB   ILE  34           HB       ILE  34  -5.284   1.512   1.794
  267   1HG1  ILE  34          2HG1      ILE  34  -5.394   4.363   0.793
  268   2HG1  ILE  34          1HG1      ILE  34  -5.670   3.886   2.466
  269   1HG2  ILE  34          1HG2      ILE  34  -4.813   0.855  -0.321
  270   2HG2  ILE  34          2HG2      ILE  34  -4.074   2.456  -0.384
  271   3HG2  ILE  34          3HG2      ILE  34  -5.686   2.202  -1.053
  272   1HD1  ILE  34          1HD1      ILE  34  -3.127   3.458   0.919
  273   2HD1  ILE  34          2HD1      ILE  34  -3.409   3.016   2.601
  274   3HD1  ILE  34          3HD1      ILE  34  -3.409   4.714   2.125
  275    HA   PRO  35           HA       PRO  35  -9.305   1.463   4.612
  276   1HB   PRO  35          2HB       PRO  35  -6.917   0.047   5.693
  277   2HB   PRO  35          1HB       PRO  35  -8.629  -0.365   5.834
  278   1HG   PRO  35          2HG       PRO  35  -7.052  -1.714   4.174
  279   2HG   PRO  35          1HG       PRO  35  -8.714  -1.301   3.711
  280   1HD   PRO  35          2HD       PRO  35  -6.138  -0.056   2.847
  281   2HD   PRO  35          1HD       PRO  35  -7.618  -0.356   1.911
  282    H    GLU  36           H        GLU  36  -8.547   1.845   7.059
  283    HA   GLU  36           HA       GLU  36  -7.164   4.404   7.004
  284   1HB   GLU  36          2HB       GLU  36  -9.284   4.277   8.196
  285   2HB   GLU  36          1HB       GLU  36  -8.662   2.989   9.217
  286   1HG   GLU  36          2HG       GLU  36  -7.106   4.476  10.259
  287   2HG   GLU  36          1HG       GLU  36  -7.510   5.766   9.126
  288    H    LYS  37           H        LYS  37  -6.845   1.220   8.519
  289    HA   LYS  37           HA       LYS  37  -4.446   1.974   9.928
  290   1HB   LYS  37          2HB       LYS  37  -5.845  -0.676   9.563
  291   2HB   LYS  37          1HB       LYS  37  -4.374  -0.479  10.506
  292   1HG   LYS  37          2HG       LYS  37  -5.657   1.256  11.851
  293   2HG   LYS  37          1HG       LYS  37  -7.105   0.629  11.059
  294   1HD   LYS  37          2HD       LYS  37  -6.896  -0.508  13.140
  295   2HD   LYS  37          1HD       LYS  37  -6.442  -1.652  11.876
  296   1HE   LYS  37          2HE       LYS  37  -4.460  -1.951  12.830
  297   2HE   LYS  37          1HE       LYS  37  -4.113  -0.227  12.692
  298   1HZ   LYS  37          1HZ       LYS  37  -5.887  -1.004  14.859
  299   2HZ   LYS  37          2HZ       LYS  37  -4.641   0.139  14.836
  300   3HZ   LYS  37          3HZ       LYS  37  -4.279  -1.504  15.011
  301    H    ASP  38           H        ASP  38  -5.181   0.804   6.798
  302    HA   ASP  38           HA       ASP  38  -2.644  -0.491   6.370
  303   1HB   ASP  38          2HB       ASP  38  -5.116  -0.064   4.839
  304   2HB   ASP  38          1HB       ASP  38  -3.653  -0.003   3.860
  305    H    ALA  39           H        ALA  39  -4.170   2.553   5.360
  306    HA   ALA  39           HA       ALA  39  -2.060   3.591   3.866
  307   1HB   ALA  39          1HB       ALA  39  -3.116   5.700   4.057
  308   2HB   ALA  39          2HB       ALA  39  -3.900   5.250   5.571
  309   3HB   ALA  39          3HB       ALA  39  -4.409   4.501   4.059
  310    H    TYR  40           H        TYR  40  -2.457   3.274   7.301
  311    HA   TYR  40           HA       TYR  40  -0.460   5.202   8.014
  312   1HB   TYR  40          2HB       TYR  40  -2.241   4.627   9.582
  313   2HB   TYR  40          1HB       TYR  40  -1.702   2.947   9.607
  314    HD1  TYR  40           1HD      TYR  40  -0.204   6.336  10.124
  315    HD2  TYR  40           2HD      TYR  40  -0.506   2.312  11.463
  316    HE1  TYR  40           1HE      TYR  40   1.299   6.857  11.996
  317    HE2  TYR  40           2HE      TYR  40   0.995   2.820  13.345
  318    HH   TYR  40           HH       TYR  40   1.566   5.244  14.644
  319    H    ARG  41           H        ARG  41  -0.558   1.648   7.908
  320    HA   ARG  41           HA       ARG  41   2.151   1.289   8.647
  321   1HB   ARG  41          2HB       ARG  41   0.012  -0.439   7.494
  322   2HB   ARG  41          1HB       ARG  41   1.673  -1.011   7.413
  323   1HG   ARG  41          2HG       ARG  41   1.769  -1.438   9.614
  324   2HG   ARG  41          1HG       ARG  41   0.833  -0.006  10.041
  325   1HD   ARG  41          2HD       ARG  41  -1.207  -1.198   9.219
  326   2HD   ARG  41          1HD       ARG  41  -0.216  -2.645   9.030
  327    HE   ARG  41           HE       ARG  41  -0.369  -2.974  11.278
  328   1HH1  ARG  41          1HH1      ARG  41  -1.108   0.370  10.610
  329   2HH1  ARG  41          2HH1      ARG  41  -1.546   0.731  12.244
  330   1HH2  ARG  41          1HH2      ARG  41  -0.944  -2.502  13.431
  331   2HH2  ARG  41          2HH2      ARG  41  -1.450  -0.899  13.848
  332    H    LEU  42           H        LEU  42   0.551   1.834   5.594
  333    HA   LEU  42           HA       LEU  42   2.527   0.950   3.834
  334   1HB   LEU  42          2HB       LEU  42   0.480   3.144   3.609
  335   2HB   LEU  42          1HB       LEU  42   1.550   2.726   2.285
  336    HG   LEU  42           HG       LEU  42  -0.112   0.583   3.542
  337   1HD1  LEU  42          1HD1      LEU  42  -1.118   2.913   2.082
  338   2HD1  LEU  42          2HD1      LEU  42  -1.969   1.753   3.101
  339   3HD1  LEU  42          3HD1      LEU  42  -1.624   1.361   1.416
  340   1HD2  LEU  42          1HD2      LEU  42   1.163   1.102   0.880
  341   2HD2  LEU  42          2HD2      LEU  42  -0.114  -0.099   1.066
  342   3HD2  LEU  42          3HD2      LEU  42   1.390  -0.264   1.973
  343    H    GLU  43           H        GLU  43   2.166   4.031   5.518
  344    HA   GLU  43           HA       GLU  43   4.275   5.371   4.194
  345   1HB   GLU  43          2HB       GLU  43   2.358   6.004   6.146
  346   2HB   GLU  43          1HB       GLU  43   3.915   6.298   6.906
  347   1HG   GLU  43          2HG       GLU  43   4.150   7.410   4.372
  348   2HG   GLU  43          1HG       GLU  43   2.521   7.829   4.900
  349    H    ILE  44           H        ILE  44   4.281   2.916   6.576
  350    HA   ILE  44           HA       ILE  44   6.935   3.601   7.562
  351    HB   ILE  44           HB       ILE  44   5.285   1.168   8.232
  352   1HG1  ILE  44          2HG1      ILE  44   5.176   3.981   9.210
  353   2HG1  ILE  44          1HG1      ILE  44   3.881   2.805   9.031
  354   1HG2  ILE  44          1HG2      ILE  44   6.757   0.816  10.014
  355   2HG2  ILE  44          2HG2      ILE  44   7.418   2.447   9.912
  356   3HG2  ILE  44          3HG2      ILE  44   7.810   1.257   8.670
  357   1HD1  ILE  44          1HD1      ILE  44   5.945   2.852  11.216
  358   2HD1  ILE  44          2HD1      ILE  44   4.664   1.652  11.041
  359   3HD1  ILE  44          3HD1      ILE  44   4.255   3.339  11.359
  360    H    VAL  45           H        VAL  45   5.339   0.947   5.828
  361    HA   VAL  45           HA       VAL  45   7.621  -0.622   5.383
  362    HB   VAL  45           HB       VAL  45   6.327  -1.609   3.485
  363   1HG1  VAL  45          1HG1      VAL  45   5.395  -1.422   6.281
  364   2HG1  VAL  45          2HG1      VAL  45   5.865  -2.832   5.332
  365   3HG1  VAL  45          3HG1      VAL  45   4.264  -2.121   5.122
  366   1HG2  VAL  45          1HG2      VAL  45   3.874  -0.858   3.434
  367   2HG2  VAL  45          2HG2      VAL  45   5.065   0.142   2.603
  368   3HG2  VAL  45          3HG2      VAL  45   4.456   0.626   4.185
  369    H    THR  46           H        THR  46   6.128   1.921   3.430
  370    HA   THR  46           HA       THR  46   8.047   1.679   1.317
  371    HB   THR  46           HB       THR  46   6.897   3.654   0.397
  372    HG1  THR  46           1HG      THR  46   5.078   4.447   1.556
  373   1HG2  THR  46          1HG2      THR  46   5.935   1.319   0.166
  374   2HG2  THR  46          2HG2      THR  46   4.840   2.673  -0.108
  375   3HG2  THR  46          3HG2      THR  46   4.790   1.793   1.420
  376    H    ALA  47           H        ALA  47   8.487   2.787   4.331
  377    HA   ALA  47           HA       ALA  47  10.062   4.096   5.316
  378   1HB   ALA  47          1HB       ALA  47  11.304   3.186   3.123
  379   2HB   ALA  47          2HB       ALA  47  12.059   4.292   4.271
  380   3HB   ALA  47          3HB       ALA  47  11.344   4.917   2.785
  381    H    GLY  48           H        GLY  48   7.535   5.198   4.344
  382   1HA   GLY  48          2HA       GLY  48   6.575   7.296   4.585
  383   2HA   GLY  48          1HA       GLY  48   8.187   7.986   4.711
  384    H    ALA  49           H        ALA  49   7.329   5.933   2.033
  385    HA   ALA  49           HA       ALA  49   8.042   7.916   0.133
  386   1HB   ALA  49          1HB       ALA  49   8.004   5.269   0.013
  387   2HB   ALA  49          2HB       ALA  49   7.871   6.270  -1.435
  388   3HB   ALA  49          3HB       ALA  49   6.422   5.574  -0.707
  389    H    LEU  50           H        LEU  50   4.973   6.730   1.383
  390    HA   LEU  50           HA       LEU  50   3.535   8.611  -0.350
  391   1HB   LEU  50          2HB       LEU  50   2.477   6.368   1.373
  392   2HB   LEU  50          1HB       LEU  50   1.511   7.387   0.324
  393    HG   LEU  50           HG       LEU  50   3.752   5.709  -0.769
  394   1HD1  LEU  50          1HD1      LEU  50   2.509   4.011   0.169
  395   2HD1  LEU  50          2HD1      LEU  50   1.755   4.170  -1.416
  396   3HD1  LEU  50          3HD1      LEU  50   0.988   4.885   0.002
  397   1HD2  LEU  50          1HD2      LEU  50   2.354   5.855  -2.816
  398   2HD2  LEU  50          2HD2      LEU  50   2.939   7.419  -2.247
  399   3HD2  LEU  50          3HD2      LEU  50   1.266   6.940  -1.950
  400    H    LYS  51           H        LYS  51   1.347   9.273   0.963
  401    HA   LYS  51           HA       LYS  51   2.229  10.394   3.537
  402   1HB   LYS  51          2HB       LYS  51   1.564  11.809   1.135
  403   2HB   LYS  51          1HB       LYS  51   0.364  12.183   2.365
  404   1HG   LYS  51          2HG       LYS  51   3.346  12.459   2.692
  405   2HG   LYS  51          1HG       LYS  51   2.216  13.775   2.369
  406   1HD   LYS  51          2HD       LYS  51   1.023  12.811   4.520
  407   2HD   LYS  51          1HD       LYS  51   2.644  12.200   4.859
  408   1HE   LYS  51          2HE       LYS  51   3.248  14.725   4.185
  409   2HE   LYS  51          1HE       LYS  51   1.623  14.975   4.821
  410   1HZ   LYS  51          1HZ       LYS  51   2.301  13.892   6.873
  411   2HZ   LYS  51          2HZ       LYS  51   3.295  15.221   6.545
  412   3HZ   LYS  51          3HZ       LYS  51   3.859  13.651   6.262
  413    H    TYR  52           H        TYR  52   1.039   9.365   5.012
  414    HA   TYR  52           HA       TYR  52  -1.591   8.376   4.478
  415   1HB   TYR  52          2HB       TYR  52  -0.219   7.145   6.016
  416   2HB   TYR  52          1HB       TYR  52   0.037   8.569   7.017
  417    HD1  TYR  52           1HD      TYR  52  -0.813   7.879   9.087
  418    HD2  TYR  52           2HD      TYR  52  -3.185   7.357   5.591
  419    HE1  TYR  52           1HE      TYR  52  -2.731   7.241  10.486
  420    HE2  TYR  52           2HE      TYR  52  -5.100   6.716   6.981
  421    HH   TYR  52           HH       TYR  52  -5.470   5.749   9.285
  422    H    GLN  53           H        GLN  53  -3.470   9.385   4.700
  423    HA   GLN  53           HA       GLN  53  -3.595  11.780   6.404
  424   1HB   GLN  53          2HB       GLN  53  -4.912  11.442   3.701
  425   2HB   GLN  53          1HB       GLN  53  -5.096  12.831   4.763
  426   1HG   GLN  53          2HG       GLN  53  -2.494  12.947   4.577
  427   2HG   GLN  53          1HG       GLN  53  -2.763  12.004   3.112
  428   1HE2  GLN  53          1HE2      GLN  53  -2.230  13.531   1.639
  429   2HE2  GLN  53          2HE2      GLN  53  -3.104  15.005   1.416
  430    H    GLU  54           H        GLU  54  -5.043  11.554   7.961
  431    HA   GLU  54           HA       GLU  54  -6.995   9.423   7.834
  432   1HB   GLU  54          2HB       GLU  54  -7.484  10.037  10.168
  433   2HB   GLU  54          1HB       GLU  54  -5.768   9.760   9.903
  434   1HG   GLU  54          2HG       GLU  54  -5.334  12.120   9.882
  435   2HG   GLU  54          1HG       GLU  54  -7.059  12.476   9.964
  436    H    ASN  55           H        ASN  55  -7.196  12.028   6.207
  437    HA   ASN  55           HA       ASN  55  -9.360  13.524   7.168
  438   1HB   ASN  55          2HB       ASN  55  -7.702  13.770   5.043
  439   2HB   ASN  55          1HB       ASN  55  -9.154  13.187   4.233
  440   1HD2  ASN  55          1HD2      ASN  55  -8.517  15.401   6.936
  441   2HD2  ASN  55          2HD2      ASN  55  -9.449  16.711   6.303
  442    H    ALA  56           H        ALA  56  -9.481  11.233   4.441
  443    HA   ALA  56           HA       ALA  56 -12.300  10.912   4.649
  444   1HB   ALA  56          1HB       ALA  56 -10.520  10.477   2.670
  445   2HB   ALA  56          2HB       ALA  56 -12.140   9.789   2.698
  446   3HB   ALA  56          3HB       ALA  56 -10.770   8.826   3.238
  447    H    TYR  57           H        TYR  57  -9.711   9.599   6.380
  448    HA   TYR  57           HA       TYR  57 -11.150   7.159   7.089
  449   1HB   TYR  57          2HB       TYR  57  -8.403   8.017   7.984
  450   2HB   TYR  57          1HB       TYR  57  -9.112   6.410   8.103
  451    HD1  TYR  57           1HD      TYR  57 -10.210   5.906   5.497
  452    HD2  TYR  57           2HD      TYR  57  -6.602   7.913   6.521
  453    HE1  TYR  57           1HE      TYR  57  -9.270   5.315   3.305
  454    HE2  TYR  57           2HE      TYR  57  -5.651   7.328   4.331
  455    HH   TYR  57           HH       TYR  57  -5.926   5.829   2.543
  456    H    ARG  58           H        ARG  58 -11.970   9.889   7.943
  457    HA   ARG  58           HA       ARG  58 -11.570   9.703  10.843
  458   1HB   ARG  58          2HB       ARG  58 -11.180  11.868   9.467
  459   2HB   ARG  58          1HB       ARG  58 -12.940  11.982   9.449
  460   1HG   ARG  58          2HG       ARG  58 -12.870  11.852  11.955
  461   2HG   ARG  58          1HG       ARG  58 -11.120  12.019  11.840
  462   1HD   ARG  58          2HD       ARG  58 -11.600  14.217  12.026
  463   2HD   ARG  58          1HD       ARG  58 -11.880  14.078  10.290
  464    HE   ARG  58           HE       ARG  58 -14.120  14.402  10.653
  465   1HH1  ARG  58          1HH1      ARG  58 -12.560  13.697  13.697
  466   2HH1  ARG  58          2HH1      ARG  58 -13.960  14.072  14.642
  467   1HH2  ARG  58          1HH2      ARG  58 -15.960  14.895  11.894
  468   2HH2  ARG  58          2HH2      ARG  58 -15.890  14.751  13.619
  469    H    GLN  59           H        GLN  59 -14.210  10.432   8.561
  470    HA   GLN  59           HA       GLN  59 -16.090   9.271  10.507
  471   1HB   GLN  59          2HB       GLN  59 -16.210  11.738   9.435
  472   2HB   GLN  59          1HB       GLN  59 -17.120  10.851   8.218
  473   1HG   GLN  59          2HG       GLN  59 -18.890  11.117   9.512
  474   2HG   GLN  59          1HG       GLN  59 -18.160   9.952  10.614
  475   1HE2  GLN  59          1HE2      GLN  59 -17.990  13.406   9.814
  476   2HE2  GLN  59          2HE2      GLN  59 -17.870  13.954  11.448
  477    H    ALA  60           H        ALA  60 -17.460   7.644   9.917
  478    HA   ALA  60           HA       ALA  60 -17.420   6.735   7.129
  479   1HB   ALA  60          1HB       ALA  60 -15.760   5.523   8.778
  480   2HB   ALA  60          2HB       ALA  60 -16.670   4.623   7.563
  481   3HB   ALA  60          3HB       ALA  60 -17.220   4.649   9.238
  482    H    ALA  61           H        ALA  61 -18.810   6.235  10.362
  483    HA   ALA  61           HA       ALA  61 -21.230   5.085   9.297
  484   1HB   ALA  61          1HB       ALA  61 -20.800   4.190  11.361
  485   2HB   ALA  61          2HB       ALA  61 -21.920   5.472  11.804
  486   3HB   ALA  61          3HB       ALA  61 -20.190   5.710  12.016
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  -4.539   8.033   1.939
    2   2H    MET   1          2HT       MET   1  -4.907   6.392   1.594
    3   3H    MET   1          3HT       MET   1  -6.079   7.614   1.313
    4    HA   MET   1           HA       MET   1  -4.770   8.564  -0.387
    5   1HB   MET   1          2HB       MET   1  -2.685   7.276  -1.067
    6   2HB   MET   1          1HB       MET   1  -2.572   8.207   0.421
    7   1HG   MET   1          2HG       MET   1  -2.890   6.198   1.735
    8   2HG   MET   1          1HG       MET   1  -3.094   5.246   0.265
    9   1HE   MET   1          1HE       MET   1  -0.277   7.237   2.474
   10   2HE   MET   1          2HE       MET   1   0.600   5.707   2.535
   11   3HE   MET   1          3HE       MET   1  -1.105   5.768   2.987
   12    H    TYR   2           H        TYR   2  -4.542   7.614  -2.594
   13    HA   TYR   2           HA       TYR   2  -6.585   5.606  -2.971
   14   1HB   TYR   2          2HB       TYR   2  -5.179   7.580  -4.667
   15   2HB   TYR   2          1HB       TYR   2  -5.681   6.100  -5.478
   16    HD1  TYR   2           1HD      TYR   2  -7.571   6.532  -6.732
   17    HD2  TYR   2           2HD      TYR   2  -7.286   8.190  -2.825
   18    HE1  TYR   2           1HE      TYR   2  -9.853   7.423  -6.950
   19    HE2  TYR   2           2HE      TYR   2  -9.565   9.084  -3.031
   20    HH   TYR   2           HH       TYR   2 -11.670   8.445  -4.426
   21    H    LYS   3           H        LYS   3  -6.329   3.562  -3.743
   22    HA   LYS   3           HA       LYS   3  -3.948   2.195  -3.228
   23   1HB   LYS   3          2HB       LYS   3  -6.132   1.094  -3.272
   24   2HB   LYS   3          1HB       LYS   3  -6.256   1.381  -5.002
   25   1HG   LYS   3          2HG       LYS   3  -4.207  -0.017  -5.299
   26   2HG   LYS   3          1HG       LYS   3  -4.308  -0.417  -3.583
   27   1HD   LYS   3          2HD       LYS   3  -6.709  -1.160  -4.094
   28   2HD   LYS   3          1HD       LYS   3  -6.221  -1.114  -5.790
   29   1HE   LYS   3          2HE       LYS   3  -4.189  -2.538  -4.827
   30   2HE   LYS   3          1HE       LYS   3  -5.400  -2.962  -3.620
   31   1HZ   LYS   3          1HZ       LYS   3  -6.002  -3.152  -6.504
   32   2HZ   LYS   3          2HZ       LYS   3  -6.754  -3.941  -5.211
   33   3HZ   LYS   3          3HZ       LYS   3  -5.205  -4.410  -5.700
   34    H    LYS   4           H        LYS   4  -4.997   3.922  -6.036
   35    HA   LYS   4           HA       LYS   4  -3.541   2.706  -8.059
   36   1HB   LYS   4          2HB       LYS   4  -5.206   4.623  -8.243
   37   2HB   LYS   4          1HB       LYS   4  -3.881   5.691  -7.804
   38   1HG   LYS   4          2HG       LYS   4  -3.388   5.819  -9.959
   39   2HG   LYS   4          1HG       LYS   4  -2.864   4.137  -9.868
   40   1HD   LYS   4          2HD       LYS   4  -4.430   3.737 -11.415
   41   2HD   LYS   4          1HD       LYS   4  -5.592   3.909 -10.100
   42   1HE   LYS   4          2HE       LYS   4  -6.308   5.306 -11.900
   43   2HE   LYS   4          1HE       LYS   4  -5.702   6.347 -10.614
   44   1HZ   LYS   4          1HZ       LYS   4  -4.086   5.523 -12.962
   45   2HZ   LYS   4          2HZ       LYS   4  -3.688   6.690 -11.803
   46   3HZ   LYS   4          3HZ       LYS   4  -4.957   6.971 -12.884
   47    H    ASP   5           H        ASP   5  -2.493   5.031  -5.626
   48    HA   ASP   5           HA       ASP   5   0.110   5.408  -6.734
   49   1HB   ASP   5          2HB       ASP   5  -1.358   6.288  -4.340
   50   2HB   ASP   5          1HB       ASP   5   0.376   6.104  -4.101
   51    H    VAL   6           H        VAL   6  -1.138   3.515  -3.990
   52    HA   VAL   6           HA       VAL   6   1.230   2.433  -3.084
   53    HB   VAL   6           HB       VAL   6  -1.309   0.827  -3.175
   54   1HG1  VAL   6          1HG1      VAL   6  -0.521   0.207  -0.894
   55   2HG1  VAL   6          2HG1      VAL   6   0.947   1.129  -1.219
   56   3HG1  VAL   6          3HG1      VAL   6   0.558  -0.284  -2.200
   57   1HG2  VAL   6          1HG2      VAL   6  -2.224   2.841  -2.473
   58   2HG2  VAL   6          2HG2      VAL   6  -0.755   3.330  -1.629
   59   3HG2  VAL   6          3HG2      VAL   6  -1.784   2.071  -0.949
   60    H    ILE   7           H        ILE   7  -1.074   0.925  -5.358
   61    HA   ILE   7           HA       ILE   7   0.460  -1.312  -5.984
   62    HB   ILE   7           HB       ILE   7  -1.607   0.163  -7.612
   63   1HG1  ILE   7          2HG1      ILE   7  -1.671  -2.408  -6.017
   64   2HG1  ILE   7          1HG1      ILE   7  -2.436  -0.887  -5.573
   65   1HG2  ILE   7          1HG2      ILE   7  -1.714  -1.886  -9.018
   66   2HG2  ILE   7          2HG2      ILE   7  -0.240  -2.451  -8.229
   67   3HG2  ILE   7          3HG2      ILE   7  -0.213  -0.976  -9.196
   68   1HD1  ILE   7          1HD1      ILE   7  -3.626  -2.973  -6.890
   69   2HD1  ILE   7          2HD1      ILE   7  -3.260  -1.841  -8.191
   70   3HD1  ILE   7          3HD1      ILE   7  -4.229  -1.318  -6.813
   71    H    ASP   8           H        ASP   8   0.741   1.975  -7.075
   72    HA   ASP   8           HA       ASP   8   2.386   1.373  -9.351
   73   1HB   ASP   8          2HB       ASP   8   1.078   3.683  -8.273
   74   2HB   ASP   8          1HB       ASP   8   2.778   4.064  -8.525
   75    H    HIS   9           H        HIS   9   2.850   2.001  -5.972
   76    HA   HIS   9           HA       HIS   9   5.700   2.422  -6.258
   77   1HB   HIS   9          2HB       HIS   9   4.619   3.726  -4.558
   78   2HB   HIS   9          1HB       HIS   9   3.880   2.294  -3.850
   79    HD1  HIS   9           1HD      HIS   9   6.815   4.441  -3.614
   80    HD2  HIS   9           2HD      HIS   9   5.831   0.545  -2.556
   81    HE1  HIS   9           1HE      HIS   9   8.571   3.730  -1.960
   82    HE2  HIS   9           2HE      HIS   9   8.001   1.341  -1.397
   83    H    PHE  10           H        PHE  10   3.474  -0.126  -5.460
   84    HA   PHE  10           HA       PHE  10   5.642  -1.896  -4.606
   85   1HB   PHE  10          2HB       PHE  10   2.643  -2.062  -4.486
   86   2HB   PHE  10          1HB       PHE  10   3.641  -3.493  -4.244
   87    HD1  PHE  10           1HD      PHE  10   2.498  -0.357  -2.827
   88    HD2  PHE  10           2HD      PHE  10   5.151  -3.641  -2.331
   89    HE1  PHE  10           1HE      PHE  10   2.818   0.268  -0.470
   90    HE2  PHE  10           2HE      PHE  10   5.478  -3.028   0.031
   91    HZ   PHE  10           HZ       PHE  10   4.309  -1.069   0.966
   92    H    GLY  11           H        GLY  11   3.495  -1.311  -7.281
   93   1HA   GLY  11          2HA       GLY  11   3.892  -2.068  -9.476
   94   2HA   GLY  11          1HA       GLY  11   4.926  -3.334  -8.829
   95    H    THR  12           H        THR  12   3.306  -4.559  -7.013
   96    HA   THR  12           HA       THR  12   0.842  -5.281  -8.404
   97    HB   THR  12           HB       THR  12   1.447  -7.739  -7.954
   98    HG1  THR  12           1HG      THR  12   3.317  -7.255  -6.693
   99   1HG2  THR  12          1HG2      THR  12   2.311  -8.062 -10.062
  100   2HG2  THR  12          2HG2      THR  12   3.264  -6.580 -10.014
  101   3HG2  THR  12          3HG2      THR  12   1.516  -6.496 -10.219
  102    H    GLN  13           H        GLN  13  -0.666  -6.450  -7.058
  103    HA   GLN  13           HA       GLN  13  -0.935  -5.427  -4.496
  104   1HB   GLN  13          2HB       GLN  13  -2.615  -7.272  -4.160
  105   2HB   GLN  13          1HB       GLN  13  -2.863  -6.286  -5.594
  106   1HG   GLN  13          2HG       GLN  13  -1.365  -8.243  -6.649
  107   2HG   GLN  13          1HG       GLN  13  -2.152  -9.134  -5.348
  108   1HE2  GLN  13          1HE2      GLN  13  -4.610  -8.270  -5.208
  109   2HE2  GLN  13          2HE2      GLN  13  -5.458  -8.443  -6.704
  110    H    ARG  14           H        ARG  14   0.179  -8.668  -5.455
  111    HA   ARG  14           HA       ARG  14   0.596  -9.855  -3.043
  112   1HB   ARG  14          2HB       ARG  14   1.112 -10.657  -5.473
  113   2HB   ARG  14          1HB       ARG  14   2.733 -10.067  -5.133
  114   1HG   ARG  14          2HG       ARG  14   3.201 -11.761  -3.726
  115   2HG   ARG  14          1HG       ARG  14   1.559 -11.819  -3.079
  116   1HD   ARG  14          2HD       ARG  14   0.844 -12.866  -5.238
  117   2HD   ARG  14          1HD       ARG  14   2.548 -12.964  -5.686
  118    HE   ARG  14           HE       ARG  14   1.143 -14.637  -3.816
  119   1HH1  ARG  14          1HH1      ARG  14   4.266 -13.404  -4.773
  120   2HH1  ARG  14          2HH1      ARG  14   5.142 -14.718  -4.065
  121   1HH2  ARG  14          1HH2      ARG  14   2.295 -16.367  -2.883
  122   2HH2  ARG  14          2HH2      ARG  14   4.024 -16.400  -2.988
  123    H    ALA  15           H        ALA  15   2.698  -7.475  -4.594
  124    HA   ALA  15           HA       ALA  15   4.856  -7.632  -2.814
  125   1HB   ALA  15          1HB       ALA  15   5.242  -5.208  -3.562
  126   2HB   ALA  15          2HB       ALA  15   3.839  -5.450  -4.602
  127   3HB   ALA  15          3HB       ALA  15   5.264  -6.469  -4.795
  128    H    VAL  16           H        VAL  16   2.064  -5.421  -2.808
  129    HA   VAL  16           HA       VAL  16   2.692  -3.988  -0.520
  130    HB   VAL  16           HB       VAL  16  -0.179  -4.626  -0.958
  131   1HG1  VAL  16          1HG1      VAL  16  -0.445  -2.281  -0.552
  132   2HG1  VAL  16          2HG1      VAL  16   1.291  -2.016  -0.706
  133   3HG1  VAL  16          3HG1      VAL  16   0.658  -2.940   0.656
  134   1HG2  VAL  16          1HG2      VAL  16   1.578  -3.338  -3.021
  135   2HG2  VAL  16          2HG2      VAL  16  -0.121  -2.893  -2.868
  136   3HG2  VAL  16          3HG2      VAL  16   0.324  -4.559  -3.235
  137    H    ALA  17           H        ALA  17   0.969  -7.055  -0.862
  138    HA   ALA  17           HA       ALA  17   0.131  -7.336   1.798
  139   1HB   ALA  17          1HB       ALA  17   0.359  -9.051  -0.554
  140   2HB   ALA  17          2HB       ALA  17  -0.913  -8.957   0.664
  141   3HB   ALA  17          3HB       ALA  17   0.536  -9.914   0.974
  142    H    LYS  18           H        LYS  18   3.218  -7.912   0.274
  143    HA   LYS  18           HA       LYS  18   4.311  -9.448   2.433
  144   1HB   LYS  18          2HB       LYS  18   5.506  -8.105   0.018
  145   2HB   LYS  18          1HB       LYS  18   6.509  -8.887   1.232
  146   1HG   LYS  18          2HG       LYS  18   4.260 -10.370  -0.062
  147   2HG   LYS  18          1HG       LYS  18   5.819 -10.205  -0.872
  148   1HD   LYS  18          2HD       LYS  18   6.693 -11.001   1.512
  149   2HD   LYS  18          1HD       LYS  18   5.089 -11.734   1.566
  150   1HE   LYS  18          2HE       LYS  18   6.849 -13.238   0.661
  151   2HE   LYS  18          1HE       LYS  18   5.511 -12.953  -0.454
  152   1HZ   LYS  18          1HZ       LYS  18   8.093 -12.721  -1.111
  153   2HZ   LYS  18          2HZ       LYS  18   7.735 -11.118  -0.712
  154   3HZ   LYS  18          3HZ       LYS  18   6.839 -11.911  -1.908
  155    H    ALA  19           H        ALA  19   4.147  -6.063   1.593
  156    HA   ALA  19           HA       ALA  19   6.138  -5.216   3.473
  157   1HB   ALA  19          1HB       ALA  19   4.325  -3.933   1.550
  158   2HB   ALA  19          2HB       ALA  19   6.007  -3.575   1.942
  159   3HB   ALA  19          3HB       ALA  19   4.712  -2.969   2.975
  160    H    LEU  20           H        LEU  20   2.581  -5.081   3.389
  161    HA   LEU  20           HA       LEU  20   2.433  -4.085   6.086
  162   1HB   LEU  20          2HB       LEU  20   0.153  -5.225   4.490
  163   2HB   LEU  20          1HB       LEU  20   0.084  -4.049   5.788
  164    HG   LEU  20           HG       LEU  20   1.343  -3.501   3.103
  165   1HD1  LEU  20          1HD1      LEU  20  -0.823  -3.654   2.437
  166   2HD1  LEU  20          2HD1      LEU  20  -0.836  -1.998   3.041
  167   3HD1  LEU  20          3HD1      LEU  20  -1.462  -3.306   4.043
  168   1HD2  LEU  20          1HD2      LEU  20   0.336  -1.350   4.852
  169   2HD2  LEU  20          2HD2      LEU  20   1.774  -1.409   3.834
  170   3HD2  LEU  20          3HD2      LEU  20   1.778  -2.196   5.411
  171    H    GLY  21           H        GLY  21   2.268  -7.184   4.498
  172   1HA   GLY  21          2HA       GLY  21   2.677  -9.233   5.596
  173   2HA   GLY  21          1HA       GLY  21   2.240  -8.477   7.121
  174    H    ILE  22           H        ILE  22   0.247  -8.133   4.283
  175    HA   ILE  22           HA       ILE  22  -1.796  -9.802   5.592
  176    HB   ILE  22           HB       ILE  22  -3.455  -8.520   4.276
  177   1HG1  ILE  22          2HG1      ILE  22  -1.075  -6.810   3.519
  178   2HG1  ILE  22          1HG1      ILE  22  -1.971  -7.859   2.423
  179   1HG2  ILE  22          1HG2      ILE  22  -2.963  -6.271   5.493
  180   2HG2  ILE  22          2HG2      ILE  22  -1.631  -7.173   6.218
  181   3HG2  ILE  22          3HG2      ILE  22  -3.290  -7.727   6.435
  182   1HD1  ILE  22          1HD1      ILE  22  -3.750  -6.441   2.305
  183   2HD1  ILE  22          2HD1      ILE  22  -2.445  -5.283   2.556
  184   3HD1  ILE  22          3HD1      ILE  22  -3.465  -5.769   3.909
  185    H    SER  23           H        SER  23  -3.519 -10.453   3.764
  186    HA   SER  23           HA       SER  23  -2.021 -12.164   1.953
  187   1HB   SER  23          2HB       SER  23  -4.121 -13.330   1.602
  188   2HB   SER  23          1HB       SER  23  -3.889 -13.075   3.331
  189    HG   SER  23           HG       SER  23  -5.243 -11.153   3.027
  190    H    ASP  24           H        ASP  24  -2.745 -12.426  -0.302
  191    HA   ASP  24           HA       ASP  24  -2.709  -9.977  -1.683
  192   1HB   ASP  24          2HB       ASP  24  -3.475 -12.727  -2.685
  193   2HB   ASP  24          1HB       ASP  24  -3.104 -11.340  -3.706
  194    H    ALA  25           H        ALA  25  -5.320 -12.043  -0.627
  195    HA   ALA  25           HA       ALA  25  -7.379 -11.015  -2.239
  196   1HB   ALA  25          1HB       ALA  25  -7.226 -13.021  -0.452
  197   2HB   ALA  25          2HB       ALA  25  -8.747 -12.360  -1.049
  198   3HB   ALA  25          3HB       ALA  25  -8.102 -11.825   0.502
  199    H    ALA  26           H        ALA  26  -6.203 -10.035   0.961
  200    HA   ALA  26           HA       ALA  26  -8.123  -8.076   1.500
  201   1HB   ALA  26          1HB       ALA  26  -6.501  -7.167   3.092
  202   2HB   ALA  26          2HB       ALA  26  -5.236  -8.161   2.371
  203   3HB   ALA  26          3HB       ALA  26  -6.594  -8.924   3.196
  204    H    VAL  27           H        VAL  27  -5.020  -7.853  -0.195
  205    HA   VAL  27           HA       VAL  27  -4.979  -5.073  -0.552
  206    HB   VAL  27           HB       VAL  27  -3.842  -7.127  -2.454
  207   1HG1  VAL  27          1HG1      VAL  27  -3.252  -4.223  -1.944
  208   2HG1  VAL  27          2HG1      VAL  27  -3.734  -4.992  -3.456
  209   3HG1  VAL  27          3HG1      VAL  27  -2.129  -5.290  -2.786
  210   1HG2  VAL  27          1HG2      VAL  27  -2.986  -7.733  -0.350
  211   2HG2  VAL  27          2HG2      VAL  27  -2.794  -6.052   0.149
  212   3HG2  VAL  27          3HG2      VAL  27  -1.733  -6.734  -1.083
  213    H    SER  28           H        SER  28  -6.091  -7.628  -2.775
  214    HA   SER  28           HA       SER  28  -7.006  -5.889  -4.785
  215   1HB   SER  28          2HB       SER  28  -6.590  -8.436  -4.894
  216   2HB   SER  28          1HB       SER  28  -8.229  -8.591  -4.264
  217    HG   SER  28           HG       SER  28  -7.503  -8.213  -6.763
  218    H    GLN  29           H        GLN  29  -8.562  -7.216  -1.923
  219    HA   GLN  29           HA       GLN  29 -11.200  -6.501  -2.518
  220   1HB   GLN  29          2HB       GLN  29  -9.748  -7.517  -0.261
  221   2HB   GLN  29          1HB       GLN  29 -10.850  -6.261   0.276
  222   1HG   GLN  29          2HG       GLN  29 -12.730  -7.419  -0.562
  223   2HG   GLN  29          1HG       GLN  29 -11.720  -8.545  -1.469
  224   1HE2  GLN  29          1HE2      GLN  29 -13.770  -8.759   0.778
  225   2HE2  GLN  29          2HE2      GLN  29 -13.010  -9.798   1.928
  226    H    TRP  30           H        TRP  30  -8.509  -4.561  -1.672
  227    HA   TRP  30           HA       TRP  30  -9.645  -2.429  -0.322
  228   1HB   TRP  30          2HB       TRP  30  -7.400  -2.513  -2.337
  229   2HB   TRP  30          1HB       TRP  30  -7.838  -1.047  -1.467
  230    HD1  TRP  30           HD       TRP  30  -8.414  -3.299   1.151
  231    HE1  TRP  30           1HE      TRP  30  -6.335  -3.747   2.601
  232    HE3  TRP  30           3HE      TRP  30  -4.810  -1.591  -2.047
  233    HZ2  TRP  30           2HZ      TRP  30  -3.538  -3.419   2.414
  234    HZ3  TRP  30           3HZ      TRP  30  -2.457  -1.692  -1.334
  235    HH2  TRP  30           HH       TRP  30  -1.835  -2.587   0.850
  236    H    LYS  31           H        LYS  31 -10.000  -0.202  -1.228
  237    HA   LYS  31           HA       LYS  31 -11.440  -0.318  -3.797
  238   1HB   LYS  31          2HB       LYS  31 -13.070   1.318  -2.791
  239   2HB   LYS  31          1HB       LYS  31 -13.130  -0.299  -2.112
  240   1HG   LYS  31          2HG       LYS  31 -11.710   0.508  -0.231
  241   2HG   LYS  31          1HG       LYS  31 -11.870   2.140  -0.885
  242   1HD   LYS  31          2HD       LYS  31 -14.440   1.514  -0.810
  243   2HD   LYS  31          1HD       LYS  31 -13.890   0.422   0.458
  244   1HE   LYS  31          2HE       LYS  31 -13.470   2.101   1.895
  245   2HE   LYS  31          1HE       LYS  31 -12.820   3.148   0.635
  246   1HZ   LYS  31          1HZ       LYS  31 -15.130   3.586   1.854
  247   2HZ   LYS  31          2HZ       LYS  31 -15.680   2.675   0.539
  248   3HZ   LYS  31          3HZ       LYS  31 -14.810   4.100   0.275
  249    H    GLU  32           H        GLU  32 -12.150   2.357  -3.978
  250    HA   GLU  32           HA       GLU  32 -10.030   3.571  -5.176
  251   1HB   GLU  32          2HB       GLU  32 -12.600   4.447  -4.119
  252   2HB   GLU  32          1HB       GLU  32 -11.400   5.726  -4.082
  253   1HG   GLU  32          2HG       GLU  32 -10.990   5.460  -6.452
  254   2HG   GLU  32          1HG       GLU  32 -12.120   4.108  -6.512
  255    H    VAL  33           H        VAL  33 -10.700   3.460  -1.752
  256    HA   VAL  33           HA       VAL  33  -8.147   4.823  -1.259
  257    HB   VAL  33           HB       VAL  33 -10.590   5.139   0.480
  258   1HG1  VAL  33          1HG1      VAL  33  -8.084   6.779   0.548
  259   2HG1  VAL  33          2HG1      VAL  33  -8.254   5.295   1.485
  260   3HG1  VAL  33          3HG1      VAL  33  -9.350   6.647   1.768
  261   1HG2  VAL  33          1HG2      VAL  33  -9.409   7.323  -1.191
  262   2HG2  VAL  33          2HG2      VAL  33 -11.010   7.224  -0.461
  263   3HG2  VAL  33          3HG2      VAL  33 -10.610   6.228  -1.862
  264    H    ILE  34           H        ILE  34  -6.781   3.527  -0.233
  265    HA   ILE  34           HA       ILE  34  -7.363   0.975   0.684
  266    HB   ILE  34           HB       ILE  34  -5.201   1.192   2.018
  267   1HG1  ILE  34          2HG1      ILE  34  -5.022   3.822   0.535
  268   2HG1  ILE  34          1HG1      ILE  34  -5.378   3.687   2.254
  269   1HG2  ILE  34          1HG2      ILE  34  -5.603   0.500  -0.481
  270   2HG2  ILE  34          2HG2      ILE  34  -3.968   0.712   0.148
  271   3HG2  ILE  34          3HG2      ILE  34  -4.718   1.991  -0.810
  272   1HD1  ILE  34          1HD1      ILE  34  -3.101   4.145   2.164
  273   2HD1  ILE  34          2HD1      ILE  34  -2.838   3.047   0.809
  274   3HD1  ILE  34          3HD1      ILE  34  -3.178   2.400   2.415
  275    HA   PRO  35           HA       PRO  35  -9.238   1.083   4.653
  276   1HB   PRO  35          2HB       PRO  35  -6.873  -0.408   5.695
  277   2HB   PRO  35          1HB       PRO  35  -8.594  -0.783   5.840
  278   1HG   PRO  35          2HG       PRO  35  -7.060  -2.119   4.126
  279   2HG   PRO  35          1HG       PRO  35  -8.720  -1.666   3.700
  280   1HD   PRO  35          2HD       PRO  35  -6.137  -0.474   2.803
  281   2HD   PRO  35          1HD       PRO  35  -7.658  -0.676   1.911
  282    H    GLU  36           H        GLU  36  -8.836   1.680   6.972
  283    HA   GLU  36           HA       GLU  36  -7.311   4.109   7.063
  284   1HB   GLU  36          2HB       GLU  36  -9.579   3.574   8.198
  285   2HB   GLU  36          1HB       GLU  36  -8.604   2.812   9.445
  286   1HG   GLU  36          2HG       GLU  36  -7.925   5.583   8.628
  287   2HG   GLU  36          1HG       GLU  36  -9.361   5.326   9.617
  288    H    LYS  37           H        LYS  37  -6.952   0.846   8.301
  289    HA   LYS  37           HA       LYS  37  -4.628   1.589   9.886
  290   1HB   LYS  37          2HB       LYS  37  -6.086  -1.020   9.479
  291   2HB   LYS  37          1HB       LYS  37  -4.597  -0.895  10.409
  292   1HG   LYS  37          2HG       LYS  37  -6.066   1.048  11.574
  293   2HG   LYS  37          1HG       LYS  37  -7.336  -0.081  11.097
  294   1HD   LYS  37          2HD       LYS  37  -5.518  -1.790  12.143
  295   2HD   LYS  37          1HD       LYS  37  -5.216  -0.356  13.125
  296   1HE   LYS  37          2HE       LYS  37  -6.914  -1.088  14.386
  297   2HE   LYS  37          1HE       LYS  37  -7.947  -0.471  13.099
  298   1HZ   LYS  37          1HZ       LYS  37  -8.713  -2.549  13.004
  299   2HZ   LYS  37          2HZ       LYS  37  -7.412  -3.186  13.877
  300   3HZ   LYS  37          3HZ       LYS  37  -7.269  -2.936  12.211
  301    H    ASP  38           H        ASP  38  -5.315   0.380   6.741
  302    HA   ASP  38           HA       ASP  38  -2.761  -0.903   6.375
  303   1HB   ASP  38          2HB       ASP  38  -5.165  -0.396   4.701
  304   2HB   ASP  38          1HB       ASP  38  -3.635  -0.603   3.853
  305    H    ALA  39           H        ALA  39  -4.244   2.182   5.516
  306    HA   ALA  39           HA       ALA  39  -2.146   3.170   3.920
  307   1HB   ALA  39          1HB       ALA  39  -3.124   5.422   4.502
  308   2HB   ALA  39          2HB       ALA  39  -4.269   4.567   5.533
  309   3HB   ALA  39          3HB       ALA  39  -4.247   4.260   3.797
  310    H    TYR  40           H        TYR  40  -2.548   2.909   7.361
  311    HA   TYR  40           HA       TYR  40  -0.549   4.828   8.066
  312   1HB   TYR  40          2HB       TYR  40  -2.338   4.216   9.625
  313   2HB   TYR  40          1HB       TYR  40  -1.745   2.555   9.668
  314    HD1  TYR  40           1HD      TYR  40   0.202   1.967  10.959
  315    HD2  TYR  40           2HD      TYR  40  -1.097   6.012  10.730
  316    HE1  TYR  40           1HE      TYR  40   1.680   2.542  12.839
  317    HE2  TYR  40           2HE      TYR  40   0.379   6.600  12.607
  318    HH   TYR  40           HH       TYR  40   1.620   4.518  14.692
  319    H    ARG  41           H        ARG  41  -0.622   1.268   8.022
  320    HA   ARG  41           HA       ARG  41   2.091   0.932   8.726
  321   1HB   ARG  41          2HB       ARG  41   0.364  -0.983   7.153
  322   2HB   ARG  41          1HB       ARG  41   1.801  -1.380   8.085
  323   1HG   ARG  41          2HG       ARG  41   0.674  -0.856  10.143
  324   2HG   ARG  41          1HG       ARG  41  -0.741  -0.281   9.262
  325   1HD   ARG  41          2HD       ARG  41  -0.147  -2.914   8.369
  326   2HD   ARG  41          1HD       ARG  41  -0.139  -2.918  10.131
  327    HE   ARG  41           HE       ARG  41  -2.410  -1.535   9.234
  328   1HH1  ARG  41          1HH1      ARG  41  -1.115  -4.775   9.325
  329   2HH1  ARG  41          2HH1      ARG  41  -2.672  -5.530   9.352
  330   1HH2  ARG  41          1HH2      ARG  41  -4.459  -2.528   9.270
  331   2HH2  ARG  41          2HH2      ARG  41  -4.571  -4.256   9.321
  332    H    LEU  42           H        LEU  42   0.527   1.665   5.732
  333    HA   LEU  42           HA       LEU  42   2.510   0.722   3.960
  334   1HB   LEU  42          2HB       LEU  42   0.215   2.599   3.788
  335   2HB   LEU  42          1HB       LEU  42   1.432   2.700   2.531
  336    HG   LEU  42           HG       LEU  42   0.107   0.095   3.237
  337   1HD1  LEU  42          1HD1      LEU  42  -1.022   2.398   1.847
  338   2HD1  LEU  42          2HD1      LEU  42  -1.813   0.963   2.498
  339   3HD1  LEU  42          3HD1      LEU  42  -1.065   0.910   0.901
  340   1HD2  LEU  42          1HD2      LEU  42   1.914  -0.417   1.926
  341   2HD2  LEU  42          2HD2      LEU  42   1.862   1.119   1.060
  342   3HD2  LEU  42          3HD2      LEU  42   0.688  -0.144   0.687
  343    H    GLU  43           H        GLU  43   2.128   3.728   5.730
  344    HA   GLU  43           HA       GLU  43   4.002   5.292   4.371
  345   1HB   GLU  43          2HB       GLU  43   2.367   6.013   6.182
  346   2HB   GLU  43          1HB       GLU  43   3.529   5.392   7.349
  347   1HG   GLU  43          2HG       GLU  43   4.677   7.219   5.378
  348   2HG   GLU  43          1HG       GLU  43   3.444   7.944   6.406
  349    H    ILE  44           H        ILE  44   4.447   3.244   7.248
  350    HA   ILE  44           HA       ILE  44   7.179   3.687   7.577
  351    HB   ILE  44           HB       ILE  44   5.732   1.146   8.283
  352   1HG1  ILE  44          2HG1      ILE  44   5.702   2.637  10.550
  353   2HG1  ILE  44          1HG1      ILE  44   5.497   3.893   9.341
  354   1HG2  ILE  44          1HG2      ILE  44   7.363   1.165  10.177
  355   2HG2  ILE  44          2HG2      ILE  44   8.175   2.517   9.386
  356   3HG2  ILE  44          3HG2      ILE  44   8.089   0.949   8.585
  357   1HD1  ILE  44          1HD1      ILE  44   3.627   1.899  10.297
  358   2HD1  ILE  44          2HD1      ILE  44   3.732   1.954   8.538
  359   3HD1  ILE  44          3HD1      ILE  44   3.337   3.415   9.443
  360    H    VAL  45           H        VAL  45   5.507   1.060   5.831
  361    HA   VAL  45           HA       VAL  45   7.809  -0.378   5.122
  362    HB   VAL  45           HB       VAL  45   6.424  -1.299   3.245
  363   1HG1  VAL  45          1HG1      VAL  45   4.670  -2.277   4.838
  364   2HG1  VAL  45          2HG1      VAL  45   5.441  -1.292   6.080
  365   3HG1  VAL  45          3HG1      VAL  45   6.369  -2.529   5.235
  366   1HG2  VAL  45          1HG2      VAL  45   5.070   0.651   2.774
  367   2HG2  VAL  45          2HG2      VAL  45   4.347   0.562   4.380
  368   3HG2  VAL  45          3HG2      VAL  45   4.038  -0.714   3.204
  369    H    THR  46           H        THR  46   6.115   2.221   3.428
  370    HA   THR  46           HA       THR  46   7.886   2.137   1.172
  371    HB   THR  46           HB       THR  46   6.654   4.270   0.569
  372    HG1  THR  46           1HG      THR  46   4.880   4.796   1.803
  373   1HG2  THR  46          1HG2      THR  46   5.581   2.677  -0.573
  374   2HG2  THR  46          2HG2      THR  46   4.325   2.913   0.643
  375   3HG2  THR  46          3HG2      THR  46   5.487   1.598   0.816
  376    H    ALA  47           H        ALA  47   8.561   3.049   4.189
  377    HA   ALA  47           HA       ALA  47  10.173   4.338   5.135
  378   1HB   ALA  47          1HB       ALA  47  11.545   3.530   3.251
  379   2HB   ALA  47          2HB       ALA  47  11.987   5.157   3.763
  380   3HB   ALA  47          3HB       ALA  47  11.028   4.925   2.303
  381    H    GLY  48           H        GLY  48   7.560   5.434   4.483
  382   1HA   GLY  48          2HA       GLY  48   6.582   7.488   4.927
  383   2HA   GLY  48          1HA       GLY  48   8.183   8.208   4.961
  384    H    ALA  49           H        ALA  49   7.167   6.310   2.227
  385    HA   ALA  49           HA       ALA  49   7.631   8.472   0.433
  386   1HB   ALA  49          1HB       ALA  49   6.169   5.976  -0.342
  387   2HB   ALA  49          2HB       ALA  49   7.893   5.935   0.030
  388   3HB   ALA  49          3HB       ALA  49   7.298   6.946  -1.287
  389    H    LEU  50           H        LEU  50   4.788   7.073   1.912
  390    HA   LEU  50           HA       LEU  50   3.130   9.077   0.523
  391   1HB   LEU  50          2HB       LEU  50   2.272   6.390   1.606
  392   2HB   LEU  50          1HB       LEU  50   1.228   7.557   0.817
  393    HG   LEU  50           HG       LEU  50   3.576   6.678  -0.750
  394   1HD1  LEU  50          1HD1      LEU  50   1.836   4.696  -1.384
  395   2HD1  LEU  50          2HD1      LEU  50   1.630   4.788   0.364
  396   3HD1  LEU  50          3HD1      LEU  50   3.230   4.504  -0.320
  397   1HD2  LEU  50          1HD2      LEU  50   0.649   6.965  -1.414
  398   2HD2  LEU  50          2HD2      LEU  50   1.973   6.753  -2.559
  399   3HD2  LEU  50          3HD2      LEU  50   1.863   8.231  -1.603
  400    H    LYS  51           H        LYS  51   2.495  10.661   1.816
  401    HA   LYS  51           HA       LYS  51   2.655  10.408   4.680
  402   1HB   LYS  51          2HB       LYS  51   3.108  12.492   3.125
  403   2HB   LYS  51          1HB       LYS  51   1.384  12.761   3.344
  404   1HG   LYS  51          2HG       LYS  51   1.868  12.564   5.852
  405   2HG   LYS  51          1HG       LYS  51   3.560  12.779   5.399
  406   1HD   LYS  51          2HD       LYS  51   2.868  14.950   5.845
  407   2HD   LYS  51          1HD       LYS  51   2.700  14.839   4.091
  408   1HE   LYS  51          2HE       LYS  51   0.696  15.810   4.707
  409   2HE   LYS  51          1HE       LYS  51   0.270  14.100   4.628
  410   1HZ   LYS  51          1HZ       LYS  51  -0.583  15.205   6.630
  411   2HZ   LYS  51          2HZ       LYS  51   1.000  15.546   7.119
  412   3HZ   LYS  51          3HZ       LYS  51   0.479  13.941   7.006
  413    H    TYR  52           H        TYR  52   1.096   9.645   5.925
  414    HA   TYR  52           HA       TYR  52  -1.459   8.935   5.004
  415   1HB   TYR  52          2HB       TYR  52  -0.174   8.039   7.035
  416   2HB   TYR  52          1HB       TYR  52  -0.791   9.444   7.898
  417    HD1  TYR  52           1HD      TYR  52  -3.345   9.753   7.975
  418    HD2  TYR  52           2HD      TYR  52  -1.465   6.104   6.854
  419    HE1  TYR  52           1HE      TYR  52  -5.420   8.539   8.471
  420    HE2  TYR  52           2HE      TYR  52  -3.540   4.880   7.344
  421    HH   TYR  52           HH       TYR  52  -6.088   6.205   9.083
  422    H    GLN  53           H        GLN  53  -3.434   9.896   5.122
  423    HA   GLN  53           HA       GLN  53  -3.597  12.573   6.321
  424   1HB   GLN  53          2HB       GLN  53  -4.113  11.789   3.498
  425   2HB   GLN  53          1HB       GLN  53  -5.212  12.953   4.225
  426   1HG   GLN  53          2HG       GLN  53  -2.220  13.246   4.086
  427   2HG   GLN  53          1HG       GLN  53  -3.373  14.016   2.997
  428   1HE2  GLN  53          1HE2      GLN  53  -1.656  15.593   4.313
  429   2HE2  GLN  53          2HE2      GLN  53  -2.459  16.476   5.561
  430    H    GLU  54           H        GLU  54  -5.291  12.774   7.636
  431    HA   GLU  54           HA       GLU  54  -7.277  10.653   7.703
  432   1HB   GLU  54          2HB       GLU  54  -7.983  11.657   9.819
  433   2HB   GLU  54          1HB       GLU  54  -6.247  11.377   9.802
  434   1HG   GLU  54          2HG       GLU  54  -5.880  13.744   9.287
  435   2HG   GLU  54          1HG       GLU  54  -7.620  14.016   9.340
  436    H    ASN  55           H        ASN  55  -7.580  12.095   5.407
  437    HA   ASN  55           HA       ASN  55  -9.668  14.073   5.841
  438   1HB   ASN  55          2HB       ASN  55  -8.406  13.058   3.284
  439   2HB   ASN  55          1HB       ASN  55  -9.577  14.369   3.384
  440   1HD2  ASN  55          1HD2      ASN  55  -8.775  15.845   5.446
  441   2HD2  ASN  55          2HD2      ASN  55  -7.186  16.471   5.188
  442    H    ALA  56           H        ALA  56  -9.285  11.050   3.995
  443    HA   ALA  56           HA       ALA  56 -12.170  10.791   3.749
  444   1HB   ALA  56          1HB       ALA  56 -10.130   8.794   2.799
  445   2HB   ALA  56          2HB       ALA  56 -10.490  10.271   1.901
  446   3HB   ALA  56          3HB       ALA  56 -11.760   9.086   2.189
  447    H    TYR  57           H        TYR  57  -9.661   9.701   5.812
  448    HA   TYR  57           HA       TYR  57 -10.970   7.287   6.670
  449   1HB   TYR  57          2HB       TYR  57  -8.697   8.788   7.981
  450   2HB   TYR  57          1HB       TYR  57  -9.180   7.126   8.305
  451    HD1  TYR  57           1HD      TYR  57  -6.628   8.808   6.954
  452    HD2  TYR  57           2HD      TYR  57  -9.490   5.902   5.743
  453    HE1  TYR  57           1HE      TYR  57  -5.086   8.025   5.209
  454    HE2  TYR  57           2HE      TYR  57  -7.956   5.110   3.995
  455    HH   TYR  57           HH       TYR  57  -6.010   5.448   2.949
  456    H    ARG  58           H        ARG  58 -11.040  10.634   7.530
  457    HA   ARG  58           HA       ARG  58 -12.130  10.223  10.165
  458   1HB   ARG  58          2HB       ARG  58 -10.790  12.216   9.664
  459   2HB   ARG  58          1HB       ARG  58 -11.970  12.714   8.456
  460   1HG   ARG  58          2HG       ARG  58 -12.520  14.022  10.270
  461   2HG   ARG  58          1HG       ARG  58 -13.650  12.673  10.417
  462   1HD   ARG  58          2HD       ARG  58 -11.000  12.730  11.831
  463   2HD   ARG  58          1HD       ARG  58 -12.460  13.414  12.538
  464    HE   ARG  58           HE       ARG  58 -13.200  10.896  11.856
  465   1HH1  ARG  58          1HH1      ARG  58 -10.560  12.201  13.734
  466   2HH1  ARG  58          2HH1      ARG  58 -10.450  10.818  14.769
  467   1HH2  ARG  58          1HH2      ARG  58 -13.060   9.076  13.215
  468   2HH2  ARG  58          2HH2      ARG  58 -11.870   9.042  14.474
  469    H    GLN  59           H        GLN  59 -13.480  11.896   7.319
  470    HA   GLN  59           HA       GLN  59 -16.110  10.760   8.025
  471   1HB   GLN  59          2HB       GLN  59 -15.830  13.236   8.495
  472   2HB   GLN  59          1HB       GLN  59 -15.680  13.465   6.757
  473   1HG   GLN  59          2HG       GLN  59 -17.890  13.782   6.834
  474   2HG   GLN  59          1HG       GLN  59 -17.970  12.022   6.901
  475   1HE2  GLN  59          1HE2      GLN  59 -17.900  11.082   9.117
  476   2HE2  GLN  59          2HE2      GLN  59 -18.760  11.909  10.363
  477    H    ALA  60           H        ALA  60 -16.300   9.159   6.554
  478    HA   ALA  60           HA       ALA  60 -16.840   9.827   3.849
  479   1HB   ALA  60          1HB       ALA  60 -15.010   9.086   2.700
  480   2HB   ALA  60          2HB       ALA  60 -14.510   7.981   3.982
  481   3HB   ALA  60          3HB       ALA  60 -14.220   9.712   4.146
  482    H    ALA  61           H        ALA  61 -18.470   8.521   3.368
  483    HA   ALA  61           HA       ALA  61 -18.450   5.784   4.464
  484   1HB   ALA  61          1HB       ALA  61 -20.910   7.324   3.683
  485   2HB   ALA  61          2HB       ALA  61 -20.230   7.359   5.309
  486   3HB   ALA  61          3HB       ALA  61 -20.810   5.838   4.627
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  -4.851   9.462   0.320
    2   2H    MET   1          2HT       MET   1  -5.962   8.229   0.764
    3   3H    MET   1          3HT       MET   1  -6.058   8.956  -0.788
    4    HA   MET   1           HA       MET   1  -3.766   8.122  -1.178
    5   1HB   MET   1          2HB       MET   1  -4.057   7.466   1.529
    6   2HB   MET   1          1HB       MET   1  -4.128   5.929   0.684
    7   1HG   MET   1          2HG       MET   1  -1.915   5.950   0.694
    8   2HG   MET   1          1HG       MET   1  -2.010   7.231  -0.513
    9   1HE   MET   1          1HE       MET   1  -0.199   6.173   2.241
   10   2HE   MET   1          2HE       MET   1  -1.494   6.480   3.399
   11   3HE   MET   1          3HE       MET   1  -0.032   7.467   3.428
   12    H    TYR   2           H        TYR   2  -4.516   7.384  -3.075
   13    HA   TYR   2           HA       TYR   2  -6.684   5.451  -3.158
   14   1HB   TYR   2          2HB       TYR   2  -5.254   7.123  -5.187
   15   2HB   TYR   2          1HB       TYR   2  -6.141   5.700  -5.723
   16    HD1  TYR   2           1HD      TYR   2  -7.975   6.593  -6.865
   17    HD2  TYR   2           2HD      TYR   2  -7.009   8.082  -2.998
   18    HE1  TYR   2           1HE      TYR   2 -10.060   7.889  -6.848
   19    HE2  TYR   2           2HE      TYR   2  -9.096   9.382  -2.971
   20    HH   TYR   2           HH       TYR   2 -10.680  10.352  -4.667
   21    H    LYS   3           H        LYS   3  -6.532   3.385  -4.042
   22    HA   LYS   3           HA       LYS   3  -4.256   1.903  -3.428
   23   1HB   LYS   3          2HB       LYS   3  -6.791   1.260  -4.049
   24   2HB   LYS   3          1HB       LYS   3  -6.018   0.867  -5.579
   25   1HG   LYS   3          2HG       LYS   3  -4.325  -0.358  -3.901
   26   2HG   LYS   3          1HG       LYS   3  -5.807  -0.450  -2.949
   27   1HD   LYS   3          2HD       LYS   3  -6.886  -1.767  -4.509
   28   2HD   LYS   3          1HD       LYS   3  -5.869  -1.206  -5.837
   29   1HE   LYS   3          2HE       LYS   3  -3.990  -2.476  -4.960
   30   2HE   LYS   3          1HE       LYS   3  -4.959  -2.992  -3.582
   31   1HZ   LYS   3          1HZ       LYS   3  -6.489  -4.053  -5.215
   32   2HZ   LYS   3          2HZ       LYS   3  -4.946  -4.746  -5.158
   33   3HZ   LYS   3          3HZ       LYS   3  -5.361  -3.712  -6.430
   34    H    LYS   4           H        LYS   4  -5.087   3.658  -6.308
   35    HA   LYS   4           HA       LYS   4  -3.460   2.400  -8.188
   36   1HB   LYS   4          2HB       LYS   4  -5.163   4.212  -8.614
   37   2HB   LYS   4          1HB       LYS   4  -3.975   5.371  -8.037
   38   1HG   LYS   4          2HG       LYS   4  -3.383   5.532 -10.181
   39   2HG   LYS   4          1HG       LYS   4  -2.541   4.007  -9.905
   40   1HD   LYS   4          2HD       LYS   4  -3.772   3.369 -11.703
   41   2HD   LYS   4          1HD       LYS   4  -4.976   3.050 -10.453
   42   1HE   LYS   4          2HE       LYS   4  -5.428   5.677 -10.967
   43   2HE   LYS   4          1HE       LYS   4  -4.921   5.105 -12.554
   44   1HZ   LYS   4          1HZ       LYS   4  -7.337   4.530 -11.066
   45   2HZ   LYS   4          2HZ       LYS   4  -6.638   3.190 -11.827
   46   3HZ   LYS   4          3HZ       LYS   4  -7.072   4.548 -12.738
   47    H    ASP   5           H        ASP   5  -2.701   5.098  -6.000
   48    HA   ASP   5           HA       ASP   5  -0.055   5.484  -6.843
   49   1HB   ASP   5          2HB       ASP   5  -1.419   6.048  -4.209
   50   2HB   ASP   5          1HB       ASP   5   0.244   6.522  -4.544
   51    H    VAL   6           H        VAL   6  -1.312   3.607  -4.083
   52    HA   VAL   6           HA       VAL   6   1.078   2.648  -3.098
   53    HB   VAL   6           HB       VAL   6  -1.394   0.943  -3.171
   54   1HG1  VAL   6          1HG1      VAL   6  -0.566   0.640  -0.747
   55   2HG1  VAL   6          2HG1      VAL   6   0.939   1.326  -1.356
   56   3HG1  VAL   6          3HG1      VAL   6   0.301  -0.160  -2.057
   57   1HG2  VAL   6          1HG2      VAL   6  -2.418   2.927  -2.556
   58   2HG2  VAL   6          2HG2      VAL   6  -0.980   3.536  -1.737
   59   3HG2  VAL   6          3HG2      VAL   6  -1.945   2.260  -0.993
   60    H    ILE   7           H        ILE   7  -1.096   1.090  -5.449
   61    HA   ILE   7           HA       ILE   7   0.450  -1.177  -5.942
   62    HB   ILE   7           HB       ILE   7  -1.487   0.290  -7.732
   63   1HG1  ILE   7          2HG1      ILE   7  -1.726  -2.226  -6.067
   64   2HG1  ILE   7          1HG1      ILE   7  -2.455  -0.665  -5.701
   65   1HG2  ILE   7          1HG2      ILE   7  -0.020  -0.942  -9.173
   66   2HG2  ILE   7          2HG2      ILE   7  -1.555  -1.806  -9.067
   67   3HG2  ILE   7          3HG2      ILE   7  -0.155  -2.379  -8.160
   68   1HD1  ILE   7          1HD1      ILE   7  -4.157  -0.991  -7.120
   69   2HD1  ILE   7          2HD1      ILE   7  -3.724  -2.691  -6.942
   70   3HD1  ILE   7          3HD1      ILE   7  -3.140  -1.772  -8.331
   71    H    ASP   8           H        ASP   8   0.800   2.089  -7.095
   72    HA   ASP   8           HA       ASP   8   2.581   1.433  -9.248
   73   1HB   ASP   8          2HB       ASP   8   1.119   3.688  -8.496
   74   2HB   ASP   8          1HB       ASP   8   2.799   4.165  -8.268
   75    H    HIS   9           H        HIS   9   2.846   2.154  -5.863
   76    HA   HIS   9           HA       HIS   9   5.701   2.587  -5.980
   77   1HB   HIS   9          2HB       HIS   9   4.554   3.879  -4.337
   78   2HB   HIS   9          1HB       HIS   9   3.717   2.464  -3.710
   79    HD1  HIS   9           1HD      HIS   9   6.614   4.557  -3.126
   80    HD2  HIS   9           2HD      HIS   9   5.567   0.612  -2.348
   81    HE1  HIS   9           1HE      HIS   9   8.217   3.772  -1.355
   82    HE2  HIS   9           2HE      HIS   9   7.514   1.407  -0.844
   83    H    PHE  10           H        PHE  10   3.462   0.018  -5.270
   84    HA   PHE  10           HA       PHE  10   5.589  -1.728  -4.298
   85   1HB   PHE  10          2HB       PHE  10   2.593  -1.910  -4.373
   86   2HB   PHE  10          1HB       PHE  10   3.572  -3.351  -4.107
   87    HD1  PHE  10           1HD      PHE  10   2.362  -0.240  -2.687
   88    HD2  PHE  10           2HD      PHE  10   4.967  -3.549  -2.112
   89    HE1  PHE  10           1HE      PHE  10   2.547   0.331  -0.301
   90    HE2  PHE  10           2HE      PHE  10   5.158  -2.991   0.278
   91    HZ   PHE  10           HZ       PHE  10   3.947  -1.047   1.187
   92    H    GLY  11           H        GLY  11   3.624  -1.172  -7.118
   93   1HA   GLY  11          2HA       GLY  11   4.120  -1.922  -9.280
   94   2HA   GLY  11          1HA       GLY  11   5.227  -3.101  -8.593
   95    H    THR  12           H        THR  12   3.760  -4.566  -6.922
   96    HA   THR  12           HA       THR  12   1.456  -5.516  -8.483
   97    HB   THR  12           HB       THR  12   2.310  -7.849  -7.514
   98    HG1  THR  12           1HG      THR  12   4.427  -7.948  -7.223
   99   1HG2  THR  12          1HG2      THR  12   2.996  -8.437  -9.604
  100   2HG2  THR  12          2HG2      THR  12   3.849  -6.917  -9.875
  101   3HG2  THR  12          3HG2      THR  12   2.089  -6.971  -9.974
  102    H    GLN  13           H        GLN  13  -0.225  -6.460  -7.294
  103    HA   GLN  13           HA       GLN  13  -0.762  -5.362  -4.795
  104   1HB   GLN  13          2HB       GLN  13  -1.938  -7.882  -5.983
  105   2HB   GLN  13          1HB       GLN  13  -2.641  -6.931  -4.681
  106   1HG   GLN  13          2HG       GLN  13  -3.091  -5.114  -6.126
  107   2HG   GLN  13          1HG       GLN  13  -2.112  -5.811  -7.417
  108   1HE2  GLN  13          1HE2      GLN  13  -4.853  -6.734  -5.353
  109   2HE2  GLN  13          2HE2      GLN  13  -5.790  -7.442  -6.621
  110    H    ARG  14           H        ARG  14   0.172  -8.717  -5.556
  111    HA   ARG  14           HA       ARG  14   0.257  -9.800  -3.049
  112   1HB   ARG  14          2HB       ARG  14   0.958 -10.696  -5.480
  113   2HB   ARG  14          1HB       ARG  14   2.560 -10.457  -4.801
  114   1HG   ARG  14          2HG       ARG  14   1.487 -11.788  -2.776
  115   2HG   ARG  14          1HG       ARG  14   0.455 -12.406  -4.066
  116   1HD   ARG  14          2HD       ARG  14   3.077 -12.473  -5.067
  117   2HD   ARG  14          1HD       ARG  14   3.170 -13.086  -3.416
  118    HE   ARG  14           HE       ARG  14   2.043 -14.959  -4.087
  119   1HH1  ARG  14          1HH1      ARG  14   1.675 -12.492  -6.528
  120   2HH1  ARG  14          2HH1      ARG  14   0.914 -13.553  -7.664
  121   1HH2  ARG  14          1HH2      ARG  14   1.042 -16.357  -5.581
  122   2HH2  ARG  14          2HH2      ARG  14   0.553 -15.746  -7.128
  123    H    ALA  15           H        ALA  15   2.528  -7.554  -4.475
  124    HA   ALA  15           HA       ALA  15   4.657  -7.873  -2.670
  125   1HB   ALA  15          1HB       ALA  15   3.839  -5.339  -4.085
  126   2HB   ALA  15          2HB       ALA  15   4.795  -6.633  -4.808
  127   3HB   ALA  15          3HB       ALA  15   5.434  -5.724  -3.439
  128    H    VAL  16           H        VAL  16   2.013  -5.482  -2.662
  129    HA   VAL  16           HA       VAL  16   2.643  -4.206  -0.285
  130    HB   VAL  16           HB       VAL  16  -0.242  -4.622  -0.883
  131   1HG1  VAL  16          1HG1      VAL  16   1.539  -2.363  -0.069
  132   2HG1  VAL  16          2HG1      VAL  16   0.200  -3.088   0.817
  133   3HG1  VAL  16          3HG1      VAL  16  -0.119  -2.090  -0.601
  134   1HG2  VAL  16          1HG2      VAL  16   1.723  -3.512  -2.820
  135   2HG2  VAL  16          2HG2      VAL  16   0.178  -2.679  -2.638
  136   3HG2  VAL  16          3HG2      VAL  16   0.214  -4.379  -3.110
  137    H    ALA  17           H        ALA  17   0.718  -7.117  -0.847
  138    HA   ALA  17           HA       ALA  17  -0.239  -7.460   1.768
  139   1HB   ALA  17          1HB       ALA  17  -1.359  -8.859   0.385
  140   2HB   ALA  17          2HB       ALA  17  -0.125  -9.998   0.921
  141   3HB   ALA  17          3HB       ALA  17   0.053  -9.170  -0.625
  142    H    LYS  18           H        LYS  18   2.779  -8.430   0.237
  143    HA   LYS  18           HA       LYS  18   3.661  -9.816   2.638
  144   1HB   LYS  18          2HB       LYS  18   5.613 -10.450   1.341
  145   2HB   LYS  18          1HB       LYS  18   4.150 -10.783   0.427
  146   1HG   LYS  18          2HG       LYS  18   4.575  -9.148  -1.117
  147   2HG   LYS  18          1HG       LYS  18   5.538  -8.187   0.004
  148   1HD   LYS  18          2HD       LYS  18   7.285  -9.012  -1.147
  149   2HD   LYS  18          1HD       LYS  18   7.027 -10.453  -0.159
  150   1HE   LYS  18          2HE       LYS  18   5.647 -10.041  -2.799
  151   2HE   LYS  18          1HE       LYS  18   7.239 -10.791  -2.676
  152   1HZ   LYS  18          1HZ       LYS  18   5.050 -12.211  -2.632
  153   2HZ   LYS  18          2HZ       LYS  18   5.093 -11.837  -0.984
  154   3HZ   LYS  18          3HZ       LYS  18   6.393 -12.647  -1.702
  155    H    ALA  19           H        ALA  19   3.250  -6.816   2.473
  156    HA   ALA  19           HA       ALA  19   5.937  -6.062   3.411
  157   1HB   ALA  19          1HB       ALA  19   4.138  -3.992   2.254
  158   2HB   ALA  19          2HB       ALA  19   5.007  -5.067   1.160
  159   3HB   ALA  19          3HB       ALA  19   5.900  -4.061   2.301
  160    H    LEU  20           H        LEU  20   2.477  -5.246   3.584
  161    HA   LEU  20           HA       LEU  20   2.808  -3.821   6.065
  162   1HB   LEU  20          2HB       LEU  20   0.188  -4.739   4.914
  163   2HB   LEU  20          1HB       LEU  20   0.499  -3.357   5.946
  164    HG   LEU  20           HG       LEU  20   1.550  -3.549   3.129
  165   1HD1  LEU  20          1HD1      LEU  20  -0.646  -3.487   2.579
  166   2HD1  LEU  20          2HD1      LEU  20  -0.423  -1.767   2.905
  167   3HD1  LEU  20          3HD1      LEU  20  -1.133  -2.812   4.136
  168   1HD2  LEU  20          1HD2      LEU  20   1.617  -1.559   5.299
  169   2HD2  LEU  20          2HD2      LEU  20   1.248  -0.929   3.693
  170   3HD2  LEU  20          3HD2      LEU  20   2.740  -1.828   3.968
  171    H    GLY  21           H        GLY  21   1.877  -7.033   5.060
  172   1HA   GLY  21          2HA       GLY  21   2.280  -8.828   6.668
  173   2HA   GLY  21          1HA       GLY  21   1.623  -7.771   7.908
  174    H    ILE  22           H        ILE  22   0.156  -7.996   4.756
  175    HA   ILE  22           HA       ILE  22  -2.061  -9.537   5.938
  176    HB   ILE  22           HB       ILE  22  -3.599  -8.295   4.458
  177   1HG1  ILE  22          2HG1      ILE  22  -1.172  -6.577   3.889
  178   2HG1  ILE  22          1HG1      ILE  22  -1.965  -7.646   2.736
  179   1HG2  ILE  22          1HG2      ILE  22  -2.078  -7.108   6.668
  180   2HG2  ILE  22          2HG2      ILE  22  -3.818  -7.304   6.461
  181   3HG2  ILE  22          3HG2      ILE  22  -2.983  -5.960   5.684
  182   1HD1  ILE  22          1HD1      ILE  22  -2.465  -4.981   3.051
  183   2HD1  ILE  22          2HD1      ILE  22  -3.779  -5.727   3.961
  184   3HD1  ILE  22          3HD1      ILE  22  -3.533  -6.142   2.264
  185    H    SER  23           H        SER  23  -3.580 -10.214   3.937
  186    HA   SER  23           HA       SER  23  -1.853 -11.869   2.264
  187   1HB   SER  23          2HB       SER  23  -3.777 -13.235   1.860
  188   2HB   SER  23          1HB       SER  23  -3.778 -12.848   3.581
  189    HG   SER  23           HG       SER  23  -5.338 -11.632   1.547
  190    H    ASP  24           H        ASP  24  -2.463 -12.193  -0.027
  191    HA   ASP  24           HA       ASP  24  -2.464  -9.778  -1.440
  192   1HB   ASP  24          2HB       ASP  24  -2.906 -11.226  -3.450
  193   2HB   ASP  24          1HB       ASP  24  -1.539 -11.738  -2.464
  194    H    ALA  25           H        ALA  25  -5.081 -11.867  -0.430
  195    HA   ALA  25           HA       ALA  25  -7.112 -10.883  -2.094
  196   1HB   ALA  25          1HB       ALA  25  -8.497 -12.213  -0.905
  197   2HB   ALA  25          2HB       ALA  25  -7.885 -11.642   0.647
  198   3HB   ALA  25          3HB       ALA  25  -6.982 -12.852  -0.263
  199    H    ALA  26           H        ALA  26  -5.881  -9.750   1.012
  200    HA   ALA  26           HA       ALA  26  -7.864  -7.827   1.535
  201   1HB   ALA  26          1HB       ALA  26  -6.281  -8.605   3.229
  202   2HB   ALA  26          2HB       ALA  26  -6.262  -6.848   3.089
  203   3HB   ALA  26          3HB       ALA  26  -4.965  -7.804   2.370
  204    H    VAL  27           H        VAL  27  -4.873  -7.681  -0.327
  205    HA   VAL  27           HA       VAL  27  -4.893  -4.880  -0.757
  206    HB   VAL  27           HB       VAL  27  -3.643  -6.985  -2.526
  207   1HG1  VAL  27          1HG1      VAL  27  -2.032  -5.127  -3.011
  208   2HG1  VAL  27          2HG1      VAL  27  -3.129  -4.040  -2.163
  209   3HG1  VAL  27          3HG1      VAL  27  -3.665  -4.870  -3.623
  210   1HG2  VAL  27          1HG2      VAL  27  -2.580  -5.637  -0.049
  211   2HG2  VAL  27          2HG2      VAL  27  -1.584  -6.542  -1.189
  212   3HG2  VAL  27          3HG2      VAL  27  -2.866  -7.360  -0.292
  213    H    SER  28           H        SER  28  -5.908  -7.605  -2.815
  214    HA   SER  28           HA       SER  28  -6.834  -6.054  -4.961
  215   1HB   SER  28          2HB       SER  28  -8.079  -8.692  -4.231
  216   2HB   SER  28          1HB       SER  28  -7.734  -8.035  -5.831
  217    HG   SER  28           HG       SER  28  -6.157  -9.503  -5.482
  218    H    GLN  29           H        GLN  29  -8.302  -6.934  -1.924
  219    HA   GLN  29           HA       GLN  29 -10.980  -6.285  -2.648
  220   1HB   GLN  29          2HB       GLN  29  -9.610  -7.307  -0.354
  221   2HB   GLN  29          1HB       GLN  29 -10.620  -5.965   0.152
  222   1HG   GLN  29          2HG       GLN  29 -12.140  -7.630   0.341
  223   2HG   GLN  29          1HG       GLN  29 -12.390  -7.237  -1.359
  224   1HE2  GLN  29          1HE2      GLN  29 -10.910  -9.475   0.874
  225   2HE2  GLN  29          2HE2      GLN  29 -10.710 -10.773  -0.250
  226    H    TRP  30           H        TRP  30  -8.234  -4.420  -1.717
  227    HA   TRP  30           HA       TRP  30  -9.361  -2.204  -0.505
  228   1HB   TRP  30          2HB       TRP  30  -7.012  -2.428  -2.387
  229   2HB   TRP  30          1HB       TRP  30  -7.441  -0.926  -1.577
  230    HD1  TRP  30           HD       TRP  30  -8.228  -3.191   1.019
  231    HE1  TRP  30           1HE      TRP  30  -6.248  -3.635   2.604
  232    HE3  TRP  30           3HE      TRP  30  -4.426  -1.451  -1.923
  233    HZ2  TRP  30           2HZ      TRP  30  -3.445  -3.292   2.606
  234    HZ3  TRP  30           3HZ      TRP  30  -2.126  -1.543  -1.054
  235    HH2  TRP  30           HH       TRP  30  -1.648  -2.444   1.163
  236    H    LYS  31           H        LYS  31 -10.740  -0.689  -1.136
  237    HA   LYS  31           HA       LYS  31 -11.730  -0.667  -3.842
  238   1HB   LYS  31          2HB       LYS  31 -12.450   1.286  -1.662
  239   2HB   LYS  31          1HB       LYS  31 -13.420   0.809  -3.055
  240   1HG   LYS  31          2HG       LYS  31 -13.550  -1.486  -2.083
  241   2HG   LYS  31          1HG       LYS  31 -12.760  -0.851  -0.634
  242   1HD   LYS  31          2HD       LYS  31 -15.090   0.685  -1.573
  243   2HD   LYS  31          1HD       LYS  31 -15.450  -0.948  -1.011
  244   1HE   LYS  31          2HE       LYS  31 -13.620   0.584   0.706
  245   2HE   LYS  31          1HE       LYS  31 -15.260   1.232   0.596
  246   1HZ   LYS  31          1HZ       LYS  31 -16.150  -0.612   1.576
  247   2HZ   LYS  31          2HZ       LYS  31 -14.660  -0.566   2.364
  248   3HZ   LYS  31          3HZ       LYS  31 -14.900  -1.640   1.082
  249    H    GLU  32           H        GLU  32 -12.340   2.051  -4.174
  250    HA   GLU  32           HA       GLU  32 -10.190   3.019  -5.575
  251   1HB   GLU  32          2HB       GLU  32 -12.760   3.935  -4.912
  252   2HB   GLU  32          1HB       GLU  32 -11.670   5.230  -4.451
  253   1HG   GLU  32          2HG       GLU  32 -10.650   4.886  -6.804
  254   2HG   GLU  32          1HG       GLU  32 -12.170   4.051  -7.149
  255    H    VAL  33           H        VAL  33 -10.790   3.216  -2.157
  256    HA   VAL  33           HA       VAL  33  -8.247   4.654  -1.831
  257    HB   VAL  33           HB       VAL  33 -10.590   4.962   0.035
  258   1HG1  VAL  33          1HG1      VAL  33  -9.347   6.504   1.185
  259   2HG1  VAL  33          2HG1      VAL  33  -8.338   6.888  -0.208
  260   3HG1  VAL  33          3HG1      VAL  33  -8.088   5.380   0.672
  261   1HG2  VAL  33          1HG2      VAL  33 -11.500   6.119  -1.687
  262   2HG2  VAL  33          2HG2      VAL  33  -9.948   6.365  -2.482
  263   3HG2  VAL  33          3HG2      VAL  33 -10.400   7.380  -1.116
  264    H    ILE  34           H        ILE  34  -6.798   3.613  -0.626
  265    HA   ILE  34           HA       ILE  34  -7.184   1.035   0.359
  266    HB   ILE  34           HB       ILE  34  -5.069   1.529   1.738
  267   1HG1  ILE  34          2HG1      ILE  34  -4.808   3.924  -0.050
  268   2HG1  ILE  34          1HG1      ILE  34  -5.607   4.082   1.511
  269   1HG2  ILE  34          1HG2      ILE  34  -3.763   0.986  -0.067
  270   2HG2  ILE  34          2HG2      ILE  34  -4.625   2.072  -1.159
  271   3HG2  ILE  34          3HG2      ILE  34  -5.364   0.548  -0.666
  272   1HD1  ILE  34          1HD1      ILE  34  -2.758   3.452   0.900
  273   2HD1  ILE  34          2HD1      ILE  34  -3.472   2.948   2.432
  274   3HD1  ILE  34          3HD1      ILE  34  -3.432   4.655   1.998
  275    HA   PRO  35           HA       PRO  35  -9.144   1.276   4.290
  276   1HB   PRO  35          2HB       PRO  35  -6.895  -0.334   5.380
  277   2HB   PRO  35          1HB       PRO  35  -8.632  -0.652   5.428
  278   1HG   PRO  35          2HG       PRO  35  -7.053  -2.015   3.776
  279   2HG   PRO  35          1HG       PRO  35  -8.672  -1.498   3.267
  280   1HD   PRO  35          2HD       PRO  35  -6.004  -0.344   2.568
  281   2HD   PRO  35          1HD       PRO  35  -7.447  -0.545   1.554
  282    H    GLU  36           H        GLU  36  -8.878   2.052   6.487
  283    HA   GLU  36           HA       GLU  36  -7.224   4.335   6.643
  284   1HB   GLU  36          2HB       GLU  36  -9.410   4.081   7.807
  285   2HB   GLU  36          1HB       GLU  36  -8.660   2.924   8.897
  286   1HG   GLU  36          2HG       GLU  36  -7.270   5.495   8.696
  287   2HG   GLU  36          1HG       GLU  36  -8.895   5.579   9.374
  288    H    LYS  37           H        LYS  37  -7.119   1.273   8.473
  289    HA   LYS  37           HA       LYS  37  -4.686   1.898   9.787
  290   1HB   LYS  37          2HB       LYS  37  -4.680  -0.495  10.431
  291   2HB   LYS  37          1HB       LYS  37  -6.209   0.304  10.766
  292   1HG   LYS  37          2HG       LYS  37  -7.308  -1.173   9.539
  293   2HG   LYS  37          1HG       LYS  37  -6.282  -0.841   8.143
  294   1HD   LYS  37          2HD       LYS  37  -5.360  -2.851   8.365
  295   2HD   LYS  37          1HD       LYS  37  -4.753  -2.385   9.954
  296   1HE   LYS  37          2HE       LYS  37  -6.061  -4.422  10.117
  297   2HE   LYS  37          1HE       LYS  37  -6.872  -3.104  10.962
  298   1HZ   LYS  37          1HZ       LYS  37  -8.547  -3.039   9.447
  299   2HZ   LYS  37          2HZ       LYS  37  -8.153  -4.678   9.316
  300   3HZ   LYS  37          3HZ       LYS  37  -7.585  -3.577   8.165
  301    H    ASP  38           H        ASP  38  -5.370   0.727   6.637
  302    HA   ASP  38           HA       ASP  38  -2.835  -0.589   6.262
  303   1HB   ASP  38          2HB       ASP  38  -5.009   0.229   4.324
  304   2HB   ASP  38          1HB       ASP  38  -3.544  -0.623   3.843
  305    H    ALA  39           H        ALA  39  -4.309   2.481   5.281
  306    HA   ALA  39           HA       ALA  39  -2.162   3.477   3.787
  307   1HB   ALA  39          1HB       ALA  39  -3.204   5.619   3.971
  308   2HB   ALA  39          2HB       ALA  39  -4.097   5.120   5.407
  309   3HB   ALA  39          3HB       ALA  39  -4.480   4.408   3.840
  310    H    TYR  40           H        TYR  40  -2.689   3.297   7.231
  311    HA   TYR  40           HA       TYR  40  -0.694   5.220   7.940
  312   1HB   TYR  40          2HB       TYR  40  -2.496   4.726   9.489
  313   2HB   TYR  40          1HB       TYR  40  -2.018   3.029   9.553
  314    HD1  TYR  40           1HD      TYR  40  -0.844   6.464  10.369
  315    HD2  TYR  40           2HD      TYR  40  -0.460   2.297  11.142
  316    HE1  TYR  40           1HE      TYR  40   0.626   6.959  12.277
  317    HE2  TYR  40           2HE      TYR  40   1.010   2.781  13.054
  318    HH   TYR  40           HH       TYR  40   1.299   4.906  14.663
  319    H    ARG  41           H        ARG  41  -0.789   1.675   7.797
  320    HA   ARG  41           HA       ARG  41   1.894   1.328   8.678
  321   1HB   ARG  41          2HB       ARG  41  -0.074  -0.487   7.294
  322   2HB   ARG  41          1HB       ARG  41   1.557  -1.009   7.695
  323   1HG   ARG  41          2HG       ARG  41   0.895  -0.164  10.090
  324   2HG   ARG  41          1HG       ARG  41  -0.742  -0.420   9.486
  325   1HD   ARG  41          2HD       ARG  41  -0.553  -2.623   9.730
  326   2HD   ARG  41          1HD       ARG  41   0.947  -2.650   8.807
  327    HE   ARG  41           HE       ARG  41   0.669  -2.717  11.662
  328   1HH1  ARG  41          1HH1      ARG  41   2.788  -1.851   9.028
  329   2HH1  ARG  41          2HH1      ARG  41   4.231  -1.995   9.976
  330   1HH2  ARG  41          1HH2      ARG  41   2.563  -2.906  12.910
  331   2HH2  ARG  41          2HH2      ARG  41   4.103  -2.594  12.181
  332    H    LEU  42           H        LEU  42   0.395   1.833   5.569
  333    HA   LEU  42           HA       LEU  42   2.419   0.905   3.888
  334   1HB   LEU  42          2HB       LEU  42   0.366   3.078   3.577
  335   2HB   LEU  42          1HB       LEU  42   1.505   2.702   2.297
  336    HG   LEU  42           HG       LEU  42  -0.142   0.492   3.443
  337   1HD1  LEU  42          1HD1      LEU  42  -1.172   2.826   1.991
  338   2HD1  LEU  42          2HD1      LEU  42  -2.013   1.651   3.001
  339   3HD1  LEU  42          3HD1      LEU  42  -1.639   1.261   1.321
  340   1HD2  LEU  42          1HD2      LEU  42  -0.031  -0.230   1.042
  341   2HD2  LEU  42          2HD2      LEU  42   1.523  -0.152   1.873
  342   3HD2  LEU  42          3HD2      LEU  42   1.055   1.130   0.757
  343    H    GLU  43           H        GLU  43   1.989   4.085   5.397
  344    HA   GLU  43           HA       GLU  43   3.995   5.517   4.182
  345   1HB   GLU  43          2HB       GLU  43   2.339   6.269   5.984
  346   2HB   GLU  43          1HB       GLU  43   3.504   5.657   7.151
  347   1HG   GLU  43          2HG       GLU  43   5.183   7.199   6.307
  348   2HG   GLU  43          1HG       GLU  43   4.045   7.791   5.097
  349    H    ILE  44           H        ILE  44   4.370   3.723   7.243
  350    HA   ILE  44           HA       ILE  44   7.118   3.977   7.480
  351    HB   ILE  44           HB       ILE  44   5.528   1.579   8.366
  352   1HG1  ILE  44          2HG1      ILE  44   5.651   3.210  10.538
  353   2HG1  ILE  44          1HG1      ILE  44   5.486   4.394   9.251
  354   1HG2  ILE  44          1HG2      ILE  44   7.190   1.575  10.218
  355   2HG2  ILE  44          2HG2      ILE  44   8.067   2.850   9.373
  356   3HG2  ILE  44          3HG2      ILE  44   7.888   1.261   8.630
  357   1HD1  ILE  44          1HD1      ILE  44   3.590   2.521   8.616
  358   2HD1  ILE  44          2HD1      ILE  44   3.305   4.053   9.443
  359   3HD1  ILE  44          3HD1      ILE  44   3.531   2.574  10.378
  360    H    VAL  45           H        VAL  45   5.240   1.389   5.935
  361    HA   VAL  45           HA       VAL  45   7.413  -0.234   5.221
  362    HB   VAL  45           HB       VAL  45   4.849  -0.028   3.716
  363   1HG1  VAL  45          1HG1      VAL  45   6.882  -2.211   4.037
  364   2HG1  VAL  45          2HG1      VAL  45   6.420  -1.375   2.554
  365   3HG1  VAL  45          3HG1      VAL  45   5.281  -2.467   3.342
  366   1HG2  VAL  45          1HG2      VAL  45   5.133  -0.604   6.434
  367   2HG2  VAL  45          2HG2      VAL  45   4.895  -2.161   5.638
  368   3HG2  VAL  45          3HG2      VAL  45   3.710  -0.870   5.428
  369    H    THR  46           H        THR  46   5.896   2.483   3.594
  370    HA   THR  46           HA       THR  46   7.505   2.126   1.218
  371    HB   THR  46           HB       THR  46   6.311   4.159   0.447
  372    HG1  THR  46           1HG      THR  46   4.846   3.972   2.852
  373   1HG2  THR  46          1HG2      THR  46   3.896   3.059   0.999
  374   2HG2  THR  46          2HG2      THR  46   4.977   1.683   1.219
  375   3HG2  THR  46          3HG2      THR  46   4.963   2.556  -0.314
  376    H    ALA  47           H        ALA  47   8.439   3.059   4.094
  377    HA   ALA  47           HA       ALA  47  10.102   4.368   4.923
  378   1HB   ALA  47          1HB       ALA  47  11.762   5.262   3.238
  379   2HB   ALA  47          2HB       ALA  47  10.761   4.515   1.993
  380   3HB   ALA  47          3HB       ALA  47  11.516   3.515   3.235
  381    H    GLY  48           H        GLY  48   7.473   5.529   4.230
  382   1HA   GLY  48          2HA       GLY  48   6.600   7.640   4.671
  383   2HA   GLY  48          1HA       GLY  48   8.225   8.301   4.591
  384    H    ALA  49           H        ALA  49   6.885   6.318   2.040
  385    HA   ALA  49           HA       ALA  49   7.347   8.397   0.115
  386   1HB   ALA  49          1HB       ALA  49   6.943   6.798  -1.522
  387   2HB   ALA  49          2HB       ALA  49   5.871   5.860  -0.481
  388   3HB   ALA  49          3HB       ALA  49   7.611   5.850  -0.192
  389    H    LEU  50           H        LEU  50   4.502   6.826   1.516
  390    HA   LEU  50           HA       LEU  50   2.801   8.826   0.188
  391   1HB   LEU  50          2HB       LEU  50   2.259   6.059   1.218
  392   2HB   LEU  50          1HB       LEU  50   0.949   7.194   0.955
  393    HG   LEU  50           HG       LEU  50   2.870   6.189  -1.146
  394   1HD1  LEU  50          1HD1      LEU  50   1.466   4.425  -0.992
  395   2HD1  LEU  50          2HD1      LEU  50   0.442   5.454  -1.994
  396   3HD1  LEU  50          3HD1      LEU  50   0.176   5.373  -0.252
  397   1HD2  LEU  50          1HD2      LEU  50   2.374   8.213  -2.038
  398   2HD2  LEU  50          2HD2      LEU  50   0.886   8.384  -1.107
  399   3HD2  LEU  50          3HD2      LEU  50   0.916   7.356  -2.540
  400    H    LYS  51           H        LYS  51   1.926  10.384   1.379
  401    HA   LYS  51           HA       LYS  51   2.318  10.397   4.237
  402   1HB   LYS  51          2HB       LYS  51   1.193  12.663   4.055
  403   2HB   LYS  51          1HB       LYS  51   2.705  12.476   3.179
  404   1HG   LYS  51          2HG       LYS  51   0.299  11.839   1.627
  405   2HG   LYS  51          1HG       LYS  51   0.436  13.523   2.140
  406   1HD   LYS  51          2HD       LYS  51   2.956  13.054   1.269
  407   2HD   LYS  51          1HD       LYS  51   2.039  11.994   0.197
  408   1HE   LYS  51          2HE       LYS  51   0.896  13.743  -0.775
  409   2HE   LYS  51          1HE       LYS  51   1.107  14.795   0.624
  410   1HZ   LYS  51          1HZ       LYS  51   3.094  15.514  -0.110
  411   2HZ   LYS  51          2HZ       LYS  51   2.511  15.030  -1.622
  412   3HZ   LYS  51          3HZ       LYS  51   3.544  14.013  -0.750
  413    H    TYR  52           H        TYR  52   0.976   9.173   5.404
  414    HA   TYR  52           HA       TYR  52  -1.677   8.529   4.678
  415   1HB   TYR  52          2HB       TYR  52  -0.528   7.043   6.144
  416   2HB   TYR  52          1HB       TYR  52  -0.167   8.333   7.283
  417    HD1  TYR  52           1HD      TYR  52  -3.246   6.911   5.684
  418    HD2  TYR  52           2HD      TYR  52  -1.335   8.211   9.254
  419    HE1  TYR  52           1HE      TYR  52  -5.256   6.327   6.964
  420    HE2  TYR  52           2HE      TYR  52  -3.346   7.638  10.545
  421    HH   TYR  52           HH       TYR  52  -5.449   5.745   9.927
  422    H    GLN  53           H        GLN  53  -3.594   9.474   5.127
  423    HA   GLN  53           HA       GLN  53  -3.595  11.814   6.907
  424   1HB   GLN  53          2HB       GLN  53  -5.126  11.684   4.310
  425   2HB   GLN  53          1HB       GLN  53  -4.951  13.069   5.379
  426   1HG   GLN  53          2HG       GLN  53  -2.400  12.024   4.454
  427   2HG   GLN  53          1HG       GLN  53  -3.452  12.546   3.140
  428   1HE2  GLN  53          1HE2      GLN  53  -2.571  14.418   2.533
  429   2HE2  GLN  53          2HE2      GLN  53  -2.309  15.774   3.571
  430    H    GLU  54           H        GLU  54  -4.723  11.035   8.593
  431    HA   GLU  54           HA       GLU  54  -6.774   9.135   8.482
  432   1HB   GLU  54          2HB       GLU  54  -5.564  10.846  10.483
  433   2HB   GLU  54          1HB       GLU  54  -7.300  10.716  10.732
  434   1HG   GLU  54          2HG       GLU  54  -6.896   8.175  10.461
  435   2HG   GLU  54          1HG       GLU  54  -5.215   8.580  10.799
  436    H    ASN  55           H        ASN  55  -6.798  12.520   7.809
  437    HA   ASN  55           HA       ASN  55  -9.450  13.178   8.344
  438   1HB   ASN  55          2HB       ASN  55  -9.132  14.860   6.441
  439   2HB   ASN  55          1HB       ASN  55  -8.006  14.961   7.791
  440   1HD2  ASN  55          1HD2      ASN  55  -6.229  15.741   6.855
  441   2HD2  ASN  55          2HD2      ASN  55  -5.396  14.997   5.536
  442    H    ALA  56           H        ALA  56  -8.026  11.474   5.629
  443    HA   ALA  56           HA       ALA  56 -10.590  11.366   4.243
  444   1HB   ALA  56          1HB       ALA  56  -9.068  11.621   2.591
  445   2HB   ALA  56          2HB       ALA  56  -8.993   9.862   2.703
  446   3HB   ALA  56          3HB       ALA  56  -7.777  10.849   3.512
  447    H    TYR  57           H        TYR  57  -9.669   9.868   6.836
  448    HA   TYR  57           HA       TYR  57 -10.900   7.336   6.060
  449   1HB   TYR  57          2HB       TYR  57  -8.382   7.525   7.715
  450   2HB   TYR  57          1HB       TYR  57  -9.256   6.047   7.324
  451    HD1  TYR  57           1HD      TYR  57  -6.548   8.075   6.414
  452    HD2  TYR  57           2HD      TYR  57  -9.618   5.661   4.725
  453    HE1  TYR  57           1HE      TYR  57  -5.219   7.828   4.361
  454    HE2  TYR  57           2HE      TYR  57  -8.297   5.407   2.669
  455    HH   TYR  57           HH       TYR  57  -5.224   5.836   2.394
  456    H    ARG  58           H        ARG  58 -11.660   9.805   7.605
  457    HA   ARG  58           HA       ARG  58 -12.500   8.424  10.060
  458   1HB   ARG  58          2HB       ARG  58 -11.160  11.050   9.747
  459   2HB   ARG  58          1HB       ARG  58 -12.470  10.973  10.915
  460   1HG   ARG  58          2HG       ARG  58 -11.130   8.796  11.667
  461   2HG   ARG  58          1HG       ARG  58  -9.800   9.716  10.976
  462   1HD   ARG  58          2HD       ARG  58 -10.460  11.640  12.400
  463   2HD   ARG  58          1HD       ARG  58 -11.680  10.614  13.153
  464    HE   ARG  58           HE       ARG  58  -9.408   9.201  13.491
  465   1HH1  ARG  58          1HH1      ARG  58 -10.280  12.505  14.194
  466   2HH1  ARG  58          2HH1      ARG  58  -9.209  12.632  15.548
  467   1HH2  ARG  58          1HH2      ARG  58  -7.998   9.365  15.272
  468   2HH2  ARG  58          2HH2      ARG  58  -7.912  10.849  16.159
  469    H    GLN  59           H        GLN  59 -13.850   8.783   7.488
  470    HA   GLN  59           HA       GLN  59 -16.130  10.434   8.372
  471   1HB   GLN  59          2HB       GLN  59 -14.790  10.154   5.748
  472   2HB   GLN  59          1HB       GLN  59 -16.540  10.212   5.709
  473   1HG   GLN  59          2HG       GLN  59 -16.490  12.408   5.908
  474   2HG   GLN  59          1HG       GLN  59 -15.640  12.261   7.447
  475   1HE2  GLN  59          1HE2      GLN  59 -13.740  13.192   7.559
  476   2HE2  GLN  59          2HE2      GLN  59 -12.710  13.574   6.226
  477    H    ALA  60           H        ALA  60 -16.770   8.445   9.527
  478    HA   ALA  60           HA       ALA  60 -18.000   6.462   7.731
  479   1HB   ALA  60          1HB       ALA  60 -16.680   6.240  10.365
  480   2HB   ALA  60          2HB       ALA  60 -16.720   5.108   9.014
  481   3HB   ALA  60          3HB       ALA  60 -18.100   5.225  10.106
  482    H    ALA  61           H        ALA  61 -18.540   8.647  10.414
  483    HA   ALA  61           HA       ALA  61 -21.420   8.008  10.313
  484   1HB   ALA  61          1HB       ALA  61 -20.390   9.538  12.615
  485   2HB   ALA  61          2HB       ALA  61 -19.860   7.860  12.501
  486   3HB   ALA  61          3HB       ALA  61 -21.580   8.240  12.551
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  -4.075   8.236   1.952
    2   2H    MET   1          2HT       MET   1  -4.451   6.584   1.670
    3   3H    MET   1          3HT       MET   1  -5.665   7.785   1.500
    4    HA   MET   1           HA       MET   1  -4.558   8.732  -0.340
    5   1HB   MET   1          2HB       MET   1  -2.551   7.389  -1.227
    6   2HB   MET   1          1HB       MET   1  -2.283   8.445   0.152
    7   1HG   MET   1          2HG       MET   1  -2.950   5.574   0.597
    8   2HG   MET   1          1HG       MET   1  -1.314   6.033   0.131
    9   1HE   MET   1          1HE       MET   1  -0.210   5.483   3.423
   10   2HE   MET   1          2HE       MET   1   0.509   6.845   2.565
   11   3HE   MET   1          3HE       MET   1  -0.026   5.423   1.670
   12    H    TYR   2           H        TYR   2  -4.380   7.641  -2.561
   13    HA   TYR   2           HA       TYR   2  -6.588   5.830  -2.800
   14   1HB   TYR   2          2HB       TYR   2  -4.910   7.426  -4.625
   15   2HB   TYR   2          1HB       TYR   2  -5.534   5.927  -5.308
   16    HD1  TYR   2           1HD      TYR   2  -7.187   6.630  -6.801
   17    HD2  TYR   2           2HD      TYR   2  -7.140   8.222  -2.857
   18    HE1  TYR   2           1HE      TYR   2  -9.351   7.719  -7.223
   19    HE2  TYR   2           2HE      TYR   2  -9.304   9.315  -3.266
   20    HH   TYR   2           HH       TYR   2 -11.350   8.526  -5.611
   21    H    LYS   3           H        LYS   3  -6.583   3.741  -3.646
   22    HA   LYS   3           HA       LYS   3  -4.408   2.108  -2.821
   23   1HB   LYS   3          2HB       LYS   3  -6.787   1.392  -2.793
   24   2HB   LYS   3          1HB       LYS   3  -6.776   1.376  -4.552
   25   1HG   LYS   3          2HG       LYS   3  -4.663  -0.218  -4.045
   26   2HG   LYS   3          1HG       LYS   3  -5.667  -0.551  -2.633
   27   1HD   LYS   3          2HD       LYS   3  -6.329  -2.132  -4.244
   28   2HD   LYS   3          1HD       LYS   3  -7.584  -0.891  -4.270
   29   1HE   LYS   3          2HE       LYS   3  -5.280  -0.606  -6.127
   30   2HE   LYS   3          1HE       LYS   3  -6.501  -1.825  -6.493
   31   1HZ   LYS   3          1HZ       LYS   3  -7.488  -0.094  -7.504
   32   2HZ   LYS   3          2HZ       LYS   3  -6.692   1.071  -6.572
   33   3HZ   LYS   3          3HZ       LYS   3  -8.045   0.269  -5.949
   34    H    LYS   4           H        LYS   4  -5.437   3.439  -5.887
   35    HA   LYS   4           HA       LYS   4  -3.968   1.822  -7.625
   36   1HB   LYS   4          2HB       LYS   4  -5.730   3.563  -8.202
   37   2HB   LYS   4          1HB       LYS   4  -4.457   4.766  -8.044
   38   1HG   LYS   4          2HG       LYS   4  -3.220   3.787  -9.845
   39   2HG   LYS   4          1HG       LYS   4  -4.336   2.424  -9.928
   40   1HD   LYS   4          2HD       LYS   4  -5.320   3.628 -11.554
   41   2HD   LYS   4          1HD       LYS   4  -6.046   4.512 -10.210
   42   1HE   LYS   4          2HE       LYS   4  -5.177   6.187 -11.582
   43   2HE   LYS   4          1HE       LYS   4  -3.964   6.000 -10.317
   44   1HZ   LYS   4          1HZ       LYS   4  -2.456   5.191 -11.757
   45   2HZ   LYS   4          2HZ       LYS   4  -3.387   6.012 -12.907
   46   3HZ   LYS   4          3HZ       LYS   4  -3.600   4.350 -12.679
   47    H    ASP   5           H        ASP   5  -2.890   4.204  -5.393
   48    HA   ASP   5           HA       ASP   5  -0.391   4.713  -6.761
   49   1HB   ASP   5          2HB       ASP   5  -1.820   5.811  -4.452
   50   2HB   ASP   5          1HB       ASP   5  -0.082   5.685  -4.199
   51    H    VAL   6           H        VAL   6  -1.406   3.049  -3.773
   52    HA   VAL   6           HA       VAL   6   1.058   2.225  -2.863
   53    HB   VAL   6           HB       VAL   6  -1.352   0.439  -2.699
   54   1HG1  VAL   6          1HG1      VAL   6   0.866  -0.205  -1.740
   55   2HG1  VAL   6          2HG1      VAL   6  -0.465  -0.164  -0.584
   56   3HG1  VAL   6          3HG1      VAL   6   0.703   1.157  -0.634
   57   1HG2  VAL   6          1HG2      VAL   6  -1.779   1.899  -0.555
   58   2HG2  VAL   6          2HG2      VAL   6  -2.442   2.376  -2.116
   59   3HG2  VAL   6          3HG2      VAL   6  -0.978   3.148  -1.508
   60    H    ILE   7           H        ILE   7  -1.101   0.630  -5.180
   61    HA   ILE   7           HA       ILE   7   0.559  -1.648  -5.562
   62    HB   ILE   7           HB       ILE   7  -1.644  -0.509  -7.287
   63   1HG1  ILE   7          2HG1      ILE   7  -1.661  -2.876  -5.405
   64   2HG1  ILE   7          1HG1      ILE   7  -2.275  -1.279  -4.994
   65   1HG2  ILE   7          1HG2      ILE   7  -0.251  -3.177  -7.466
   66   2HG2  ILE   7          2HG2      ILE   7  -0.178  -1.869  -8.649
   67   3HG2  ILE   7          3HG2      ILE   7  -1.696  -2.721  -8.368
   68   1HD1  ILE   7          1HD1      ILE   7  -4.207  -2.299  -5.610
   69   2HD1  ILE   7          2HD1      ILE   7  -3.411  -3.350  -6.782
   70   3HD1  ILE   7          3HD1      ILE   7  -3.708  -1.656  -7.174
   71    H    ASP   8           H        ASP   8   0.332   1.502  -7.072
   72    HA   ASP   8           HA       ASP   8   2.033   0.845  -9.288
   73   1HB   ASP   8          2HB       ASP   8   0.484   3.145  -8.387
   74   2HB   ASP   8          1HB       ASP   8   2.053   3.615  -9.033
   75    H    HIS   9           H        HIS   9   2.450   1.948  -6.039
   76    HA   HIS   9           HA       HIS   9   5.141   2.891  -6.465
   77   1HB   HIS   9          2HB       HIS   9   3.914   4.064  -4.797
   78   2HB   HIS   9          1HB       HIS   9   3.419   2.570  -4.009
   79    HD1  HIS   9           1HD      HIS   9   6.949   3.602  -4.956
   80    HD2  HIS   9           2HD      HIS   9   4.642   2.809  -1.595
   81    HE1  HIS   9           1HE      HIS   9   8.546   3.669  -3.014
   82    HE2  HIS   9           2HE      HIS   9   7.145   3.078  -1.006
   83    H    PHE  10           H        PHE  10   3.542  -0.031  -5.490
   84    HA   PHE  10           HA       PHE  10   6.013  -1.226  -4.521
   85   1HB   PHE  10          2HB       PHE  10   3.140  -2.095  -4.565
   86   2HB   PHE  10          1HB       PHE  10   4.422  -3.267  -4.275
   87    HD1  PHE  10           1HD      PHE  10   4.401  -3.839  -2.050
   88    HD2  PHE  10           2HD      PHE  10   3.954   0.249  -3.138
   89    HE1  PHE  10           1HE      PHE  10   4.439  -3.207   0.327
   90    HE2  PHE  10           2HE      PHE  10   3.990   0.891  -0.764
   91    HZ   PHE  10           HZ       PHE  10   4.234  -0.840   0.973
   92    H    GLY  11           H        GLY  11   3.593  -1.829  -7.061
   93   1HA   GLY  11          2HA       GLY  11   4.548  -2.257  -9.316
   94   2HA   GLY  11          1HA       GLY  11   5.669  -3.349  -8.519
   95    H    THR  12           H        THR  12   3.549  -4.350  -6.709
   96    HA   THR  12           HA       THR  12   1.643  -5.635  -8.476
   97    HB   THR  12           HB       THR  12   2.483  -7.891  -7.292
   98    HG1  THR  12           1HG      THR  12   4.875  -6.444  -7.737
   99   1HG2  THR  12          1HG2      THR  12   2.242  -7.820  -9.645
  100   2HG2  THR  12          2HG2      THR  12   3.890  -8.351  -9.306
  101   3HG2  THR  12          3HG2      THR  12   3.586  -6.689  -9.813
  102    H    GLN  13           H        GLN  13   0.440  -7.418  -7.044
  103    HA   GLN  13           HA       GLN  13  -0.575  -5.948  -4.767
  104   1HB   GLN  13          2HB       GLN  13  -1.425  -8.549  -6.046
  105   2HB   GLN  13          1HB       GLN  13  -2.234  -7.831  -4.661
  106   1HG   GLN  13          2HG       GLN  13  -2.992  -6.001  -5.912
  107   2HG   GLN  13          1HG       GLN  13  -1.880  -6.340  -7.238
  108   1HE2  GLN  13          1HE2      GLN  13  -3.963  -8.584  -5.489
  109   2HE2  GLN  13          2HE2      GLN  13  -4.922  -9.039  -6.853
  110    H    ARG  14           H        ARG  14   0.992  -9.070  -5.370
  111    HA   ARG  14           HA       ARG  14   0.944 -10.044  -2.751
  112   1HB   ARG  14          2HB       ARG  14   1.536 -11.394  -4.738
  113   2HB   ARG  14          1HB       ARG  14   3.058 -10.521  -4.860
  114   1HG   ARG  14          2HG       ARG  14   3.513 -11.344  -2.485
  115   2HG   ARG  14          1HG       ARG  14   2.178 -12.467  -2.758
  116   1HD   ARG  14          2HD       ARG  14   4.067 -12.424  -4.967
  117   2HD   ARG  14          1HD       ARG  14   4.829 -12.865  -3.441
  118    HE   ARG  14           HE       ARG  14   2.608 -14.410  -3.495
  119   1HH1  ARG  14          1HH1      ARG  14   5.206 -13.876  -5.764
  120   2HH1  ARG  14          2HH1      ARG  14   5.114 -15.469  -6.436
  121   1HH2  ARG  14          1HH2      ARG  14   2.485 -16.507  -4.377
  122   2HH2  ARG  14          2HH2      ARG  14   3.570 -16.962  -5.649
  123    H    ALA  15           H        ALA  15   3.042  -7.724  -4.301
  124    HA   ALA  15           HA       ALA  15   5.130  -7.741  -2.394
  125   1HB   ALA  15          1HB       ALA  15   5.573  -5.410  -3.339
  126   2HB   ALA  15          2HB       ALA  15   4.219  -5.723  -4.423
  127   3HB   ALA  15          3HB       ALA  15   5.640  -6.766  -4.463
  128    H    VAL  16           H        VAL  16   2.071  -6.031  -2.589
  129    HA   VAL  16           HA       VAL  16   2.659  -4.358  -0.312
  130    HB   VAL  16           HB       VAL  16  -0.164  -4.462  -0.917
  131   1HG1  VAL  16          1HG1      VAL  16   0.936  -2.612   0.186
  132   2HG1  VAL  16          2HG1      VAL  16   0.186  -2.064  -1.313
  133   3HG1  VAL  16          3HG1      VAL  16   1.930  -2.324  -1.242
  134   1HG2  VAL  16          1HG2      VAL  16   0.244  -5.144  -3.122
  135   2HG2  VAL  16          2HG2      VAL  16   1.700  -4.158  -3.252
  136   3HG2  VAL  16          3HG2      VAL  16   0.113  -3.388  -3.223
  137    H    ALA  17           H        ALA  17   0.857  -7.294  -0.987
  138    HA   ALA  17           HA       ALA  17  -0.471  -7.460   1.511
  139   1HB   ALA  17          1HB       ALA  17  -0.714  -8.783  -0.823
  140   2HB   ALA  17          2HB       ALA  17  -1.386  -9.355   0.704
  141   3HB   ALA  17          3HB       ALA  17   0.159  -9.984   0.131
  142    H    LYS  18           H        LYS  18   2.723  -8.319   0.441
  143    HA   LYS  18           HA       LYS  18   3.267  -9.963   2.764
  144   1HB   LYS  18          2HB       LYS  18   4.727  -9.214   0.284
  145   2HB   LYS  18          1HB       LYS  18   5.693  -9.655   1.686
  146   1HG   LYS  18          2HG       LYS  18   3.458 -11.446   0.896
  147   2HG   LYS  18          1HG       LYS  18   4.927 -11.446  -0.081
  148   1HD   LYS  18          2HD       LYS  18   5.667 -12.956   1.406
  149   2HD   LYS  18          1HD       LYS  18   5.948 -11.555   2.444
  150   1HE   LYS  18          2HE       LYS  18   4.731 -12.928   3.838
  151   2HE   LYS  18          1HE       LYS  18   3.465 -11.920   3.140
  152   1HZ   LYS  18          1HZ       LYS  18   3.466 -13.876   1.384
  153   2HZ   LYS  18          2HZ       LYS  18   2.545 -13.944   2.800
  154   3HZ   LYS  18          3HZ       LYS  18   4.029 -14.750   2.719
  155    H    ALA  19           H        ALA  19   3.809  -6.689   1.681
  156    HA   ALA  19           HA       ALA  19   5.785  -5.991   3.593
  157   1HB   ALA  19          1HB       ALA  19   4.865  -3.612   3.056
  158   2HB   ALA  19          2HB       ALA  19   3.957  -4.454   1.800
  159   3HB   ALA  19          3HB       ALA  19   5.720  -4.526   1.813
  160    H    LEU  20           H        LEU  20   2.262  -5.476   3.504
  161    HA   LEU  20           HA       LEU  20   2.235  -4.391   6.172
  162   1HB   LEU  20          2HB       LEU  20  -0.137  -5.307   4.556
  163   2HB   LEU  20          1HB       LEU  20  -0.127  -4.166   5.886
  164    HG   LEU  20           HG       LEU  20   1.237  -3.653   3.245
  165   1HD1  LEU  20          1HD1      LEU  20  -1.145  -3.882   2.869
  166   2HD1  LEU  20          2HD1      LEU  20  -0.672  -2.188   2.749
  167   3HD1  LEU  20          3HD1      LEU  20  -1.485  -2.777   4.199
  168   1HD2  LEU  20          1HD2      LEU  20   0.357  -1.473   5.023
  169   2HD2  LEU  20          2HD2      LEU  20   1.819  -1.626   4.049
  170   3HD2  LEU  20          3HD2      LEU  20   1.704  -2.449   5.605
  171    H    GLY  21           H        GLY  21   1.588  -7.479   4.646
  172   1HA   GLY  21          2HA       GLY  21   1.931  -9.503   5.915
  173   2HA   GLY  21          1HA       GLY  21   1.335  -8.658   7.336
  174    H    ILE  22           H        ILE  22  -0.267  -8.345   4.259
  175    HA   ILE  22           HA       ILE  22  -2.510  -9.925   5.334
  176    HB   ILE  22           HB       ILE  22  -3.967  -8.587   3.837
  177   1HG1  ILE  22          2HG1      ILE  22  -1.450  -6.967   3.394
  178   2HG1  ILE  22          1HG1      ILE  22  -2.282  -7.933   2.182
  179   1HG2  ILE  22          1HG2      ILE  22  -3.099  -7.981   6.302
  180   2HG2  ILE  22          2HG2      ILE  22  -4.289  -7.017   5.429
  181   3HG2  ILE  22          3HG2      ILE  22  -2.594  -6.527   5.443
  182   1HD1  ILE  22          1HD1      ILE  22  -2.627  -5.276   2.544
  183   2HD1  ILE  22          2HD1      ILE  22  -3.956  -5.927   3.503
  184   3HD1  ILE  22          3HD1      ILE  22  -3.811  -6.348   1.796
  185    H    SER  23           H        SER  23  -4.033 -10.521   3.332
  186    HA   SER  23           HA       SER  23  -2.395 -12.260   1.675
  187   1HB   SER  23          2HB       SER  23  -4.690 -12.779   2.936
  188   2HB   SER  23          1HB       SER  23  -5.364 -12.207   1.410
  189    HG   SER  23           HG       SER  23  -5.007 -14.445   1.343
  190    H    ASP  24           H        ASP  24  -2.882 -12.488  -0.646
  191    HA   ASP  24           HA       ASP  24  -2.582 -10.071  -2.016
  192   1HB   ASP  24          2HB       ASP  24  -3.236 -12.872  -2.872
  193   2HB   ASP  24          1HB       ASP  24  -3.266 -11.563  -4.048
  194    H    ALA  25           H        ALA  25  -5.439 -11.895  -1.172
  195    HA   ALA  25           HA       ALA  25  -7.252 -10.643  -2.939
  196   1HB   ALA  25          1HB       ALA  25  -8.518 -11.419  -0.474
  197   2HB   ALA  25          2HB       ALA  25  -7.370 -12.651  -0.995
  198   3HB   ALA  25          3HB       ALA  25  -8.660 -12.131  -2.080
  199    H    ALA  26           H        ALA  26  -6.231  -9.888   0.365
  200    HA   ALA  26           HA       ALA  26  -8.047  -7.855   0.934
  201   1HB   ALA  26          1HB       ALA  26  -5.261  -8.426   1.876
  202   2HB   ALA  26          2HB       ALA  26  -6.788  -8.589   2.744
  203   3HB   ALA  26          3HB       ALA  26  -6.125  -6.987   2.421
  204    H    VAL  27           H        VAL  27  -4.874  -7.679  -0.648
  205    HA   VAL  27           HA       VAL  27  -4.793  -4.883  -0.942
  206    HB   VAL  27           HB       VAL  27  -3.516  -6.960  -2.727
  207   1HG1  VAL  27          1HG1      VAL  27  -2.826  -4.060  -2.260
  208   2HG1  VAL  27          2HG1      VAL  27  -3.526  -4.742  -3.728
  209   3HG1  VAL  27          3HG1      VAL  27  -1.893  -5.194  -3.239
  210   1HG2  VAL  27          1HG2      VAL  27  -2.609  -5.704  -0.149
  211   2HG2  VAL  27          2HG2      VAL  27  -1.501  -6.488  -1.274
  212   3HG2  VAL  27          3HG2      VAL  27  -2.796  -7.418  -0.522
  213    H    SER  28           H        SER  28  -6.037  -7.440  -3.048
  214    HA   SER  28           HA       SER  28  -6.716  -5.690  -5.190
  215   1HB   SER  28          2HB       SER  28  -7.806  -7.595  -6.182
  216   2HB   SER  28          1HB       SER  28  -6.320  -8.164  -5.419
  217    HG   SER  28           HG       SER  28  -8.257  -9.441  -4.995
  218    H    GLN  29           H        GLN  29  -8.349  -6.813  -2.317
  219    HA   GLN  29           HA       GLN  29 -10.950  -5.958  -3.124
  220   1HB   GLN  29          2HB       GLN  29  -9.822  -7.413  -0.952
  221   2HB   GLN  29          1HB       GLN  29 -10.770  -6.092  -0.284
  222   1HG   GLN  29          2HG       GLN  29 -12.350  -7.725  -0.436
  223   2HG   GLN  29          1HG       GLN  29 -12.570  -6.918  -1.989
  224   1HE2  GLN  29          1HE2      GLN  29 -12.140  -9.843  -0.473
  225   2HE2  GLN  29          2HE2      GLN  29 -11.680 -10.795  -1.840
  226    H    TRP  30           H        TRP  30  -8.213  -4.283  -2.121
  227    HA   TRP  30           HA       TRP  30  -9.242  -2.270  -0.482
  228   1HB   TRP  30          2HB       TRP  30  -6.930  -2.400  -2.394
  229   2HB   TRP  30          1HB       TRP  30  -7.338  -0.883  -1.603
  230    HD1  TRP  30           HD       TRP  30  -8.184  -2.915   1.089
  231    HE1  TRP  30           1HE      TRP  30  -6.214  -3.449   2.659
  232    HE3  TRP  30           3HE      TRP  30  -4.305  -1.732  -2.030
  233    HZ2  TRP  30           2HZ      TRP  30  -3.394  -3.377   2.585
  234    HZ3  TRP  30           3HZ      TRP  30  -2.004  -1.989  -1.201
  235    HH2  TRP  30           HH       TRP  30  -1.559  -2.796   1.059
  236    H    LYS  31           H        LYS  31 -10.510  -0.558  -0.837
  237    HA   LYS  31           HA       LYS  31 -11.680  -0.197  -3.453
  238   1HB   LYS  31          2HB       LYS  31 -12.150   1.412  -0.939
  239   2HB   LYS  31          1HB       LYS  31 -13.170   1.370  -2.371
  240   1HG   LYS  31          2HG       LYS  31 -13.050  -1.271  -1.659
  241   2HG   LYS  31          1HG       LYS  31 -13.050  -0.450  -0.097
  242   1HD   LYS  31          2HD       LYS  31 -15.050   0.020  -2.307
  243   2HD   LYS  31          1HD       LYS  31 -15.330  -0.989  -0.885
  244   1HE   LYS  31          2HE       LYS  31 -14.720   1.965  -0.866
  245   2HE   LYS  31          1HE       LYS  31 -16.310   1.242  -0.619
  246   1HZ   LYS  31          1HZ       LYS  31 -14.050   1.430   1.201
  247   2HZ   LYS  31          2HZ       LYS  31 -14.890  -0.038   1.230
  248   3HZ   LYS  31          3HZ       LYS  31 -15.710   1.413   1.529
  249    H    GLU  32           H        GLU  32 -12.170   2.499  -3.595
  250    HA   GLU  32           HA       GLU  32 -10.010   3.532  -4.931
  251   1HB   GLU  32          2HB       GLU  32 -12.550   4.479  -4.083
  252   2HB   GLU  32          1HB       GLU  32 -11.370   5.715  -3.672
  253   1HG   GLU  32          2HG       GLU  32 -10.670   5.930  -5.920
  254   2HG   GLU  32          1HG       GLU  32 -11.540   4.472  -6.400
  255    H    VAL  33           H        VAL  33 -10.740   3.760  -1.496
  256    HA   VAL  33           HA       VAL  33  -8.103   5.000  -1.069
  257    HB   VAL  33           HB       VAL  33 -10.480   5.215   0.777
  258   1HG1  VAL  33          1HG1      VAL  33  -8.480   5.475   2.007
  259   2HG1  VAL  33          2HG1      VAL  33  -9.094   7.103   1.717
  260   3HG1  VAL  33          3HG1      VAL  33  -7.755   6.480   0.753
  261   1HG2  VAL  33          1HG2      VAL  33  -9.418   7.401  -0.991
  262   2HG2  VAL  33          2HG2      VAL  33 -10.910   7.380  -0.055
  263   3HG2  VAL  33          3HG2      VAL  33 -10.740   6.350  -1.477
  264    H    ILE  34           H        ILE  34  -6.674   3.745  -0.065
  265    HA   ILE  34           HA       ILE  34  -7.181   1.138   0.754
  266    HB   ILE  34           HB       ILE  34  -4.998   1.387   2.082
  267   1HG1  ILE  34          2HG1      ILE  34  -4.840   3.976   0.532
  268   2HG1  ILE  34          1HG1      ILE  34  -5.235   3.903   2.247
  269   1HG2  ILE  34          1HG2      ILE  34  -5.245   1.803  -0.879
  270   2HG2  ILE  34          2HG2      ILE  34  -4.919   0.311   0.003
  271   3HG2  ILE  34          3HG2      ILE  34  -3.686   1.567  -0.091
  272   1HD1  ILE  34          1HD1      ILE  34  -3.025   2.588   2.453
  273   2HD1  ILE  34          2HD1      ILE  34  -2.973   4.340   2.253
  274   3HD1  ILE  34          3HD1      ILE  34  -2.661   3.286   0.875
  275    HA   PRO  35           HA       PRO  35  -8.978   0.993   4.751
  276   1HB   PRO  35          2HB       PRO  35  -6.501  -0.408   5.658
  277   2HB   PRO  35          1HB       PRO  35  -8.194  -0.866   5.871
  278   1HG   PRO  35          2HG       PRO  35  -6.698  -2.079   4.045
  279   2HG   PRO  35          1HG       PRO  35  -8.388  -1.668   3.700
  280   1HD   PRO  35          2HD       PRO  35  -5.885  -0.362   2.743
  281   2HD   PRO  35          1HD       PRO  35  -7.440  -0.573   1.913
  282    H    GLU  36           H        GLU  36  -8.679   1.628   7.013
  283    HA   GLU  36           HA       GLU  36  -7.241   4.086   7.211
  284   1HB   GLU  36          2HB       GLU  36  -9.388   3.853   8.301
  285   2HB   GLU  36          1HB       GLU  36  -8.806   2.489   9.247
  286   1HG   GLU  36          2HG       GLU  36  -7.353   5.053   9.518
  287   2HG   GLU  36          1HG       GLU  36  -8.964   4.952  10.220
  288    H    LYS  37           H        LYS  37  -6.771   0.821   8.449
  289    HA   LYS  37           HA       LYS  37  -4.452   1.648   9.994
  290   1HB   LYS  37          2HB       LYS  37  -6.240  -0.651   9.953
  291   2HB   LYS  37          1HB       LYS  37  -4.551  -1.124  10.068
  292   1HG   LYS  37          2HG       LYS  37  -4.597   0.821  11.913
  293   2HG   LYS  37          1HG       LYS  37  -6.268   0.265  12.016
  294   1HD   LYS  37          2HD       LYS  37  -5.307  -2.086  12.180
  295   2HD   LYS  37          1HD       LYS  37  -3.745  -1.311  12.452
  296   1HE   LYS  37          2HE       LYS  37  -4.763  -0.075  14.356
  297   2HE   LYS  37          1HE       LYS  37  -6.235  -1.017  14.125
  298   1HZ   LYS  37          1HZ       LYS  37  -3.580  -2.224  14.663
  299   2HZ   LYS  37          2HZ       LYS  37  -5.077  -3.009  14.656
  300   3HZ   LYS  37          3HZ       LYS  37  -4.717  -1.887  15.869
  301    H    ASP  38           H        ASP  38  -5.129   0.384   6.873
  302    HA   ASP  38           HA       ASP  38  -2.555  -0.850   6.506
  303   1HB   ASP  38          2HB       ASP  38  -4.813  -0.195   4.611
  304   2HB   ASP  38          1HB       ASP  38  -3.300  -0.919   4.074
  305    H    ALA  39           H        ALA  39  -4.107   2.184   5.590
  306    HA   ALA  39           HA       ALA  39  -2.010   3.184   3.992
  307   1HB   ALA  39          1HB       ALA  39  -4.334   4.061   4.011
  308   2HB   ALA  39          2HB       ALA  39  -3.104   5.315   4.163
  309   3HB   ALA  39          3HB       ALA  39  -4.005   4.787   5.584
  310    H    TYR  40           H        TYR  40  -2.438   2.981   7.427
  311    HA   TYR  40           HA       TYR  40  -0.666   5.056   8.178
  312   1HB   TYR  40          2HB       TYR  40  -2.291   4.127   9.744
  313   2HB   TYR  40          1HB       TYR  40  -1.479   2.561   9.684
  314    HD1  TYR  40           1HD      TYR  40  -0.886   6.131  10.568
  315    HD2  TYR  40           2HD      TYR  40   0.197   2.071  11.221
  316    HE1  TYR  40           1HE      TYR  40   0.573   6.828  12.417
  317    HE2  TYR  40           2HE      TYR  40   1.659   2.754  13.078
  318    HH   TYR  40           HH       TYR  40   1.550   5.131  14.731
  319    H    ARG  41           H        ARG  41  -0.059   1.598   8.754
  320    HA   ARG  41           HA       ARG  41   2.675   1.790   9.043
  321   1HB   ARG  41          2HB       ARG  41   2.726  -0.646   8.423
  322   2HB   ARG  41          1HB       ARG  41   1.585  -0.224   9.692
  323   1HG   ARG  41          2HG       ARG  41  -0.230  -0.241   8.028
  324   2HG   ARG  41          1HG       ARG  41   0.933  -0.745   6.798
  325   1HD   ARG  41          2HD       ARG  41   1.215  -2.840   7.734
  326   2HD   ARG  41          1HD       ARG  41   0.673  -2.311   9.328
  327    HE   ARG  41           HE       ARG  41  -1.372  -2.217   7.307
  328   1HH1  ARG  41          1HH1      ARG  41   0.215  -4.215   9.687
  329   2HH1  ARG  41          2HH1      ARG  41  -1.129  -5.292   9.861
  330   1HH2  ARG  41          1HH2      ARG  41  -3.141  -3.632   7.535
  331   2HH2  ARG  41          2HH2      ARG  41  -3.035  -4.962   8.640
  332    H    LEU  42           H        LEU  42   0.810   1.844   6.125
  333    HA   LEU  42           HA       LEU  42   2.713   1.028   4.257
  334   1HB   LEU  42          2HB       LEU  42   0.268   2.690   4.211
  335   2HB   LEU  42          1HB       LEU  42   1.376   2.926   2.872
  336    HG   LEU  42           HG       LEU  42   0.234   0.250   3.675
  337   1HD1  LEU  42          1HD1      LEU  42  -0.770   2.391   1.896
  338   2HD1  LEU  42          2HD1      LEU  42  -1.652   1.186   2.836
  339   3HD1  LEU  42          3HD1      LEU  42  -0.892   0.733   1.310
  340   1HD2  LEU  42          1HD2      LEU  42   1.927   1.180   1.371
  341   2HD2  LEU  42          2HD2      LEU  42   1.017  -0.330   1.342
  342   3HD2  LEU  42          3HD2      LEU  42   2.282  -0.084   2.546
  343    H    GLU  43           H        GLU  43   2.236   4.145   5.831
  344    HA   GLU  43           HA       GLU  43   4.013   5.646   4.246
  345   1HB   GLU  43          2HB       GLU  43   2.330   6.586   5.841
  346   2HB   GLU  43          1HB       GLU  43   3.371   6.082   7.165
  347   1HG   GLU  43          2HG       GLU  43   5.175   7.505   6.129
  348   2HG   GLU  43          1HG       GLU  43   3.927   8.150   5.064
  349    H    ILE  44           H        ILE  44   4.516   3.481   6.937
  350    HA   ILE  44           HA       ILE  44   7.238   4.289   7.406
  351    HB   ILE  44           HB       ILE  44   5.910   1.741   8.314
  352   1HG1  ILE  44          2HG1      ILE  44   5.644   4.556   9.249
  353   2HG1  ILE  44          1HG1      ILE  44   4.464   3.251   9.269
  354   1HG2  ILE  44          1HG2      ILE  44   7.588   1.692  10.014
  355   2HG2  ILE  44          2HG2      ILE  44   8.178   3.290   9.555
  356   3HG2  ILE  44          3HG2      ILE  44   8.398   1.921   8.465
  357   1HD1  ILE  44          1HD1      ILE  44   6.694   3.767  11.204
  358   2HD1  ILE  44          2HD1      ILE  44   5.822   2.235  11.141
  359   3HD1  ILE  44          3HD1      ILE  44   4.958   3.729  11.513
  360    H    VAL  45           H        VAL  45   5.668   1.444   5.964
  361    HA   VAL  45           HA       VAL  45   7.993   0.064   5.249
  362    HB   VAL  45           HB       VAL  45   5.414  -0.576   5.168
  363   1HG1  VAL  45          1HG1      VAL  45   4.541  -0.767   2.941
  364   2HG1  VAL  45          2HG1      VAL  45   6.015  -0.081   2.260
  365   3HG1  VAL  45          3HG1      VAL  45   4.952   0.919   3.249
  366   1HG2  VAL  45          1HG2      VAL  45   7.159  -1.920   3.153
  367   2HG2  VAL  45          2HG2      VAL  45   6.055  -2.628   4.334
  368   3HG2  VAL  45          3HG2      VAL  45   7.598  -1.954   4.861
  369    H    THR  46           H        THR  46   6.132   2.507   3.535
  370    HA   THR  46           HA       THR  46   7.737   2.339   1.153
  371    HB   THR  46           HB       THR  46   6.349   4.236   0.406
  372    HG1  THR  46           1HG      THR  46   5.771   5.430   2.062
  373   1HG2  THR  46          1HG2      THR  46   4.221   3.152   0.330
  374   2HG2  THR  46          2HG2      THR  46   4.647   2.132   1.704
  375   3HG2  THR  46          3HG2      THR  46   5.486   1.933   0.165
  376    H    ALA  47           H        ALA  47   9.066   3.090   3.735
  377    HA   ALA  47           HA       ALA  47  10.585   4.582   4.547
  378   1HB   ALA  47          1HB       ALA  47  11.828   3.890   2.627
  379   2HB   ALA  47          2HB       ALA  47  12.032   5.633   2.807
  380   3HB   ALA  47          3HB       ALA  47  10.933   4.995   1.583
  381    H    GLY  48           H        GLY  48   7.807   5.558   4.142
  382   1HA   GLY  48          2HA       GLY  48   6.759   7.547   4.675
  383   2HA   GLY  48          1HA       GLY  48   8.333   8.325   4.700
  384    H    ALA  49           H        ALA  49   7.422   6.532   1.884
  385    HA   ALA  49           HA       ALA  49   7.776   8.714   0.154
  386   1HB   ALA  49          1HB       ALA  49   8.060   6.436  -0.611
  387   2HB   ALA  49          2HB       ALA  49   6.828   7.242  -1.582
  388   3HB   ALA  49          3HB       ALA  49   6.352   6.099  -0.326
  389    H    LEU  50           H        LEU  50   4.773   7.043   1.102
  390    HA   LEU  50           HA       LEU  50   3.174   9.187  -0.022
  391   1HB   LEU  50          2HB       LEU  50   2.376   6.662   1.429
  392   2HB   LEU  50          1HB       LEU  50   1.254   7.793   0.694
  393    HG   LEU  50           HG       LEU  50   3.365   6.651  -1.058
  394   1HD1  LEU  50          1HD1      LEU  50   2.739   4.651   0.057
  395   2HD1  LEU  50          2HD1      LEU  50   1.874   4.672  -1.479
  396   3HD1  LEU  50          3HD1      LEU  50   1.030   5.082   0.013
  397   1HD2  LEU  50          1HD2      LEU  50   0.442   7.313  -1.385
  398   2HD2  LEU  50          2HD2      LEU  50   1.478   6.669  -2.659
  399   3HD2  LEU  50          3HD2      LEU  50   1.814   8.254  -1.965
  400    H    LYS  51           H        LYS  51   1.328  10.044   1.340
  401    HA   LYS  51           HA       LYS  51   2.238  10.523   4.102
  402   1HB   LYS  51          2HB       LYS  51   1.154  12.803   3.844
  403   2HB   LYS  51          1HB       LYS  51   2.654  12.552   2.961
  404   1HG   LYS  51          2HG       LYS  51   0.265  11.873   1.427
  405   2HG   LYS  51          1HG       LYS  51   0.343  13.565   1.918
  406   1HD   LYS  51          2HD       LYS  51   2.649  13.663   0.981
  407   2HD   LYS  51          1HD       LYS  51   2.423  12.022   0.372
  408   1HE   LYS  51          2HE       LYS  51   0.658  14.363  -0.331
  409   2HE   LYS  51          1HE       LYS  51   2.004  13.799  -1.321
  410   1HZ   LYS  51          1HZ       LYS  51   0.917  11.760  -1.721
  411   2HZ   LYS  51          2HZ       LYS  51  -0.253  12.957  -1.966
  412   3HZ   LYS  51          3HZ       LYS  51  -0.258  12.051  -0.539
  413    H    TYR  52           H        TYR  52   0.821   9.981   5.621
  414    HA   TYR  52           HA       TYR  52  -1.761   8.981   4.933
  415   1HB   TYR  52          2HB       TYR  52  -0.253   8.203   6.853
  416   2HB   TYR  52          1HB       TYR  52  -0.829   9.617   7.729
  417    HD1  TYR  52           1HD      TYR  52  -1.501   6.228   6.832
  418    HD2  TYR  52           2HD      TYR  52  -3.362   9.847   8.072
  419    HE1  TYR  52           1HE      TYR  52  -3.480   4.959   7.555
  420    HE2  TYR  52           2HE      TYR  52  -5.341   8.589   8.800
  421    HH   TYR  52           HH       TYR  52  -6.408   6.556   8.607
  422    H    GLN  53           H        GLN  53  -3.677   9.960   4.937
  423    HA   GLN  53           HA       GLN  53  -3.880  12.642   6.142
  424   1HB   GLN  53          2HB       GLN  53  -4.902  11.651   3.486
  425   2HB   GLN  53          1HB       GLN  53  -5.595  13.062   4.274
  426   1HG   GLN  53          2HG       GLN  53  -2.850  13.498   4.327
  427   2HG   GLN  53          1HG       GLN  53  -3.171  12.811   2.735
  428   1HE2  GLN  53          1HE2      GLN  53  -3.267  14.403   1.326
  429   2HE2  GLN  53          2HE2      GLN  53  -4.127  15.889   1.524
  430    H    GLU  54           H        GLU  54  -5.410  12.797   7.651
  431    HA   GLU  54           HA       GLU  54  -7.270  10.600   8.015
  432   1HB   GLU  54          2HB       GLU  54  -6.193  12.783   9.674
  433   2HB   GLU  54          1HB       GLU  54  -7.868  12.362  10.005
  434   1HG   GLU  54          2HG       GLU  54  -6.518   9.927   9.817
  435   2HG   GLU  54          1HG       GLU  54  -5.451  10.990  10.736
  436    H    ASN  55           H        ASN  55  -7.658  12.424   5.737
  437    HA   ASN  55           HA       ASN  55 -10.050  13.909   6.449
  438   1HB   ASN  55          2HB       ASN  55  -8.420  13.684   3.926
  439   2HB   ASN  55          1HB       ASN  55  -9.993  14.476   3.943
  440   1HD2  ASN  55          1HD2      ASN  55 -10.170  16.498   4.729
  441   2HD2  ASN  55          2HD2      ASN  55  -8.849  17.421   5.351
  442    H    ALA  56           H        ALA  56  -9.085  11.057   4.645
  443    HA   ALA  56           HA       ALA  56 -11.840  10.523   3.863
  444   1HB   ALA  56          1HB       ALA  56  -9.555  10.163   2.494
  445   2HB   ALA  56          2HB       ALA  56 -11.030   9.251   2.191
  446   3HB   ALA  56          3HB       ALA  56  -9.759   8.557   3.196
  447    H    TYR  57           H        TYR  57  -9.627   9.697   6.318
  448    HA   TYR  57           HA       TYR  57 -10.970   7.184   6.949
  449   1HB   TYR  57          2HB       TYR  57  -8.683   8.463   8.440
  450   2HB   TYR  57          1HB       TYR  57  -9.207   6.785   8.509
  451    HD1  TYR  57           1HD      TYR  57  -9.321   5.732   5.960
  452    HD2  TYR  57           2HD      TYR  57  -6.690   8.783   7.335
  453    HE1  TYR  57           1HE      TYR  57  -7.731   5.155   4.177
  454    HE2  TYR  57           2HE      TYR  57  -5.093   8.212   5.554
  455    HH   TYR  57           HH       TYR  57  -5.903   6.117   2.957
  456    H    ARG  58           H        ARG  58 -12.170   9.948   7.260
  457    HA   ARG  58           HA       ARG  58 -12.700   9.865  10.153
  458   1HB   ARG  58          2HB       ARG  58 -12.450  12.062   8.194
  459   2HB   ARG  58          1HB       ARG  58 -13.760  12.235   9.353
  460   1HG   ARG  58          2HG       ARG  58 -12.180  11.997  11.192
  461   2HG   ARG  58          1HG       ARG  58 -10.860  11.804  10.036
  462   1HD   ARG  58          2HD       ARG  58 -11.250  14.039   9.180
  463   2HD   ARG  58          1HD       ARG  58 -12.630  14.235  10.250
  464    HE   ARG  58           HE       ARG  58  -9.883  14.565  10.928
  465   1HH1  ARG  58          1HH1      ARG  58 -13.000  13.649  12.200
  466   2HH1  ARG  58          2HH1      ARG  58 -12.600  14.081  13.829
  467   1HH2  ARG  58          1HH2      ARG  58  -9.358  15.135  13.070
  468   2HH2  ARG  58          2HH2      ARG  58 -10.530  14.926  14.323
  469    H    GLN  59           H        GLN  59 -15.030  11.103  10.430
  470    HA   GLN  59           HA       GLN  59 -16.970   9.984   8.576
  471   1HB   GLN  59          2HB       GLN  59 -16.340   8.401  10.620
  472   2HB   GLN  59          1HB       GLN  59 -17.480   9.441  11.463
  473   1HG   GLN  59          2HG       GLN  59 -19.270   8.690  10.266
  474   2HG   GLN  59          1HG       GLN  59 -18.300   8.288   8.852
  475   1HE2  GLN  59          1HE2      GLN  59 -20.250   6.856  10.793
  476   2HE2  GLN  59          2HE2      GLN  59 -19.470   5.345  11.076
  477    H    ALA  60           H        ALA  60 -18.660  11.310   8.301
  478    HA   ALA  60           HA       ALA  60 -20.030  13.111   8.506
  479   1HB   ALA  60          1HB       ALA  60 -19.560  12.751  11.464
  480   2HB   ALA  60          2HB       ALA  60 -20.770  11.893  10.512
  481   3HB   ALA  60          3HB       ALA  60 -20.890  13.641  10.713
  482    H    ALA  61           H        ALA  61 -20.180  15.392   9.619
  483    HA   ALA  61           HA       ALA  61 -17.550  16.513  10.189
  484   1HB   ALA  61          1HB       ALA  61 -19.040  18.031   8.146
  485   2HB   ALA  61          2HB       ALA  61 -18.300  16.522   7.608
  486   3HB   ALA  61          3HB       ALA  61 -17.300  17.779   8.337
  Start of MODEL   21
    1   1H    MET   1          1HT       MET   1  -6.136   8.484   0.562
    2   2H    MET   1          2HT       MET   1  -5.236   8.071   1.962
    3   3H    MET   1          3HT       MET   1  -6.442   7.004   1.370
    4    HA   MET   1           HA       MET   1  -4.127   7.789  -0.244
    5   1HB   MET   1          2HB       MET   1  -3.533   6.797   2.038
    6   2HB   MET   1          1HB       MET   1  -4.307   5.320   1.480
    7   1HG   MET   1          2HG       MET   1  -2.042   4.991   1.060
    8   2HG   MET   1          1HG       MET   1  -2.718   5.436  -0.506
    9   1HE   MET   1          1HE       MET   1  -1.516   8.521   2.288
   10   2HE   MET   1          2HE       MET   1  -0.019   7.589   2.317
   11   3HE   MET   1          3HE       MET   1  -1.552   6.809   2.705
   12    H    TYR   2           H        TYR   2  -4.633   7.251  -2.256
   13    HA   TYR   2           HA       TYR   2  -6.772   5.445  -2.864
   14   1HB   TYR   2          2HB       TYR   2  -4.741   6.778  -4.666
   15   2HB   TYR   2          1HB       TYR   2  -6.154   5.889  -5.225
   16    HD1  TYR   2           1HD      TYR   2  -5.151   8.967  -5.377
   17    HD2  TYR   2           2HD      TYR   2  -8.198   6.847  -3.297
   18    HE1  TYR   2           1HE      TYR   2  -6.491  11.026  -5.249
   19    HE2  TYR   2           2HE      TYR   2  -9.546   8.899  -3.166
   20    HH   TYR   2           HH       TYR   2  -9.773  11.029  -4.300
   21    H    LYS   3           H        LYS   3  -6.683   3.386  -3.664
   22    HA   LYS   3           HA       LYS   3  -4.553   1.738  -2.914
   23   1HB   LYS   3          2HB       LYS   3  -6.999   1.119  -3.420
   24   2HB   LYS   3          1HB       LYS   3  -6.492   1.024  -5.102
   25   1HG   LYS   3          2HG       LYS   3  -4.919  -0.476  -3.080
   26   2HG   LYS   3          1HG       LYS   3  -6.509  -1.093  -3.534
   27   1HD   LYS   3          2HD       LYS   3  -4.702  -0.279  -5.736
   28   2HD   LYS   3          1HD       LYS   3  -4.272  -1.741  -4.846
   29   1HE   LYS   3          2HE       LYS   3  -5.652  -2.749  -6.306
   30   2HE   LYS   3          1HE       LYS   3  -6.917  -2.148  -5.237
   31   1HZ   LYS   3          1HZ       LYS   3  -6.177  -1.276  -7.908
   32   2HZ   LYS   3          2HZ       LYS   3  -6.594  -0.048  -6.823
   33   3HZ   LYS   3          3HZ       LYS   3  -7.691  -1.292  -7.154
   34    H    LYS   4           H        LYS   4  -5.359   3.186  -6.035
   35    HA   LYS   4           HA       LYS   4  -3.563   1.881  -7.678
   36   1HB   LYS   4          2HB       LYS   4  -5.266   3.479  -8.467
   37   2HB   LYS   4          1HB       LYS   4  -4.332   4.803  -7.787
   38   1HG   LYS   4          2HG       LYS   4  -2.435   3.974  -9.307
   39   2HG   LYS   4          1HG       LYS   4  -3.702   3.075 -10.147
   40   1HD   LYS   4          2HD       LYS   4  -3.784   5.001 -11.358
   41   2HD   LYS   4          1HD       LYS   4  -4.894   5.453 -10.060
   42   1HE   LYS   4          2HE       LYS   4  -3.020   6.523  -8.870
   43   2HE   LYS   4          1HE       LYS   4  -1.954   6.118 -10.215
   44   1HZ   LYS   4          1HZ       LYS   4  -2.582   8.289 -10.647
   45   2HZ   LYS   4          2HZ       LYS   4  -4.179   8.054 -10.143
   46   3HZ   LYS   4          3HZ       LYS   4  -3.652   7.404 -11.613
   47    H    ASP   5           H        ASP   5  -2.996   4.643  -5.545
   48    HA   ASP   5           HA       ASP   5  -0.384   5.242  -6.364
   49   1HB   ASP   5          2HB       ASP   5  -2.154   6.246  -4.490
   50   2HB   ASP   5          1HB       ASP   5  -0.841   5.615  -3.499
   51    H    VAL   6           H        VAL   6  -1.503   3.191  -3.672
   52    HA   VAL   6           HA       VAL   6   0.984   2.377  -2.753
   53    HB   VAL   6           HB       VAL   6  -1.395   0.545  -2.731
   54   1HG1  VAL   6          1HG1      VAL   6  -0.493   0.227  -0.373
   55   2HG1  VAL   6          2HG1      VAL   6   0.926   1.108  -0.931
   56   3HG1  VAL   6          3HG1      VAL   6   0.472  -0.411  -1.703
   57   1HG2  VAL   6          1HG2      VAL   6  -1.966   1.830  -0.554
   58   2HG2  VAL   6          2HG2      VAL   6  -2.496   2.490  -2.101
   59   3HG2  VAL   6          3HG2      VAL   6  -1.073   3.156  -1.300
   60    H    ILE   7           H        ILE   7  -1.093   0.992  -5.260
   61    HA   ILE   7           HA       ILE   7   0.524  -1.295  -5.737
   62    HB   ILE   7           HB       ILE   7  -1.481   0.043  -7.561
   63   1HG1  ILE   7          2HG1      ILE   7  -2.505  -0.644  -5.468
   64   2HG1  ILE   7          1HG1      ILE   7  -3.012  -1.734  -6.754
   65   1HG2  ILE   7          1HG2      ILE   7  -1.578  -2.104  -8.722
   66   2HG2  ILE   7          2HG2      ILE   7  -0.311  -2.734  -7.669
   67   3HG2  ILE   7          3HG2      ILE   7   0.045  -1.414  -8.784
   68   1HD1  ILE   7          1HD1      ILE   7  -0.743  -2.921  -5.688
   69   2HD1  ILE   7          2HD1      ILE   7  -2.419  -3.402  -5.428
   70   3HD1  ILE   7          3HD1      ILE   7  -1.629  -2.304  -4.296
   71    H    ASP   8           H        ASP   8   0.410   1.942  -7.126
   72    HA   ASP   8           HA       ASP   8   2.269   1.373  -9.223
   73   1HB   ASP   8          2HB       ASP   8   0.543   3.494  -8.560
   74   2HB   ASP   8          1HB       ASP   8   2.165   4.175  -8.515
   75    H    HIS   9           H        HIS   9   2.473   2.274  -5.898
   76    HA   HIS   9           HA       HIS   9   5.200   3.191  -6.069
   77   1HB   HIS   9          2HB       HIS   9   3.803   4.237  -4.411
   78   2HB   HIS   9          1HB       HIS   9   3.361   2.678  -3.725
   79    HD1  HIS   9           1HD      HIS   9   5.561   5.436  -3.163
   80    HD2  HIS   9           2HD      HIS   9   5.810   1.325  -2.615
   81    HE1  HIS   9           1HE      HIS   9   7.433   5.087  -1.518
   82    HE2  HIS   9           2HE      HIS   9   7.507   2.598  -1.139
   83    H    PHE  10           H        PHE  10   3.511   0.228  -5.488
   84    HA   PHE  10           HA       PHE  10   5.925  -1.069  -4.472
   85   1HB   PHE  10          2HB       PHE  10   3.033  -1.891  -4.597
   86   2HB   PHE  10          1HB       PHE  10   4.305  -3.061  -4.267
   87    HD1  PHE  10           1HD      PHE  10   3.885   0.458  -3.125
   88    HD2  PHE  10           2HD      PHE  10   4.107  -3.653  -2.048
   89    HE1  PHE  10           1HE      PHE  10   3.832   1.083  -0.749
   90    HE2  PHE  10           2HE      PHE  10   4.056  -3.035   0.332
   91    HZ   PHE  10           HZ       PHE  10   3.919  -0.664   0.986
   92    H    GLY  11           H        GLY  11   3.580  -1.306  -7.120
   93   1HA   GLY  11          2HA       GLY  11   4.452  -1.739  -9.359
   94   2HA   GLY  11          1HA       GLY  11   5.594  -2.856  -8.625
   95    H    THR  12           H        THR  12   3.467  -3.906  -6.820
   96    HA   THR  12           HA       THR  12   1.584  -5.166  -8.630
   97    HB   THR  12           HB       THR  12   2.254  -7.459  -7.891
   98    HG1  THR  12           1HG      THR  12   4.403  -6.008  -6.770
   99   1HG2  THR  12          1HG2      THR  12   4.384  -5.920  -9.352
  100   2HG2  THR  12          2HG2      THR  12   2.997  -6.741 -10.066
  101   3HG2  THR  12          3HG2      THR  12   4.266  -7.676  -9.276
  102    H    GLN  13           H        GLN  13   0.362  -6.964  -7.232
  103    HA   GLN  13           HA       GLN  13  -0.627  -5.521  -4.911
  104   1HB   GLN  13          2HB       GLN  13  -1.655  -8.091  -6.124
  105   2HB   GLN  13          1HB       GLN  13  -2.487  -7.075  -4.954
  106   1HG   GLN  13          2HG       GLN  13  -2.303  -5.241  -6.752
  107   2HG   GLN  13          1HG       GLN  13  -1.975  -6.575  -7.855
  108   1HE2  GLN  13          1HE2      GLN  13  -3.632  -8.512  -6.811
  109   2HE2  GLN  13          2HE2      GLN  13  -5.278  -8.030  -7.025
  110    H    ARG  14           H        ARG  14   0.543  -8.801  -5.653
  111    HA   ARG  14           HA       ARG  14   0.478  -9.882  -3.113
  112   1HB   ARG  14          2HB       ARG  14   1.160 -10.912  -5.420
  113   2HB   ARG  14          1HB       ARG  14   2.787 -10.467  -4.931
  114   1HG   ARG  14          2HG       ARG  14   2.913 -12.369  -3.810
  115   2HG   ARG  14          1HG       ARG  14   1.663 -11.765  -2.721
  116   1HD   ARG  14          2HD       ARG  14   1.094 -13.961  -3.670
  117   2HD   ARG  14          1HD       ARG  14  -0.065 -12.714  -4.127
  118    HE   ARG  14           HE       ARG  14   2.028 -13.109  -6.056
  119   1HH1  ARG  14          1HH1      ARG  14  -1.109 -14.194  -4.978
  120   2HH1  ARG  14          2HH1      ARG  14  -1.554 -14.842  -6.521
  121   1HH2  ARG  14          1HH2      ARG  14   1.444 -13.960  -8.086
  122   2HH2  ARG  14          2HH2      ARG  14  -0.104 -14.709  -8.285
  123    H    ALA  15           H        ALA  15   2.726  -7.592  -4.473
  124    HA   ALA  15           HA       ALA  15   4.831  -7.868  -2.634
  125   1HB   ALA  15          1HB       ALA  15   3.931  -5.447  -4.188
  126   2HB   ALA  15          2HB       ALA  15   5.128  -6.641  -4.690
  127   3HB   ALA  15          3HB       ALA  15   5.461  -5.579  -3.323
  128    H    VAL  16           H        VAL  16   2.021  -5.687  -2.622
  129    HA   VAL  16           HA       VAL  16   2.622  -4.350  -0.242
  130    HB   VAL  16           HB       VAL  16  -0.251  -4.823  -0.756
  131   1HG1  VAL  16          1HG1      VAL  16   0.249  -3.156   0.794
  132   2HG1  VAL  16          2HG1      VAL  16  -0.137  -2.270  -0.682
  133   3HG1  VAL  16          3HG1      VAL  16   1.545  -2.496  -0.202
  134   1HG2  VAL  16          1HG2      VAL  16   1.585  -3.740  -2.854
  135   2HG2  VAL  16          2HG2      VAL  16  -0.040  -3.078  -2.682
  136   3HG2  VAL  16          3HG2      VAL  16   0.181  -4.794  -3.027
  137    H    ALA  17           H        ALA  17   1.103  -7.439  -0.841
  138    HA   ALA  17           HA       ALA  17  -0.036  -7.857   1.696
  139   1HB   ALA  17          1HB       ALA  17   0.621 -10.376   0.827
  140   2HB   ALA  17          2HB       ALA  17   0.532  -9.456  -0.675
  141   3HB   ALA  17          3HB       ALA  17  -0.852  -9.498   0.417
  142    H    LYS  18           H        LYS  18   3.227  -8.184   0.513
  143    HA   LYS  18           HA       LYS  18   4.172  -9.745   2.724
  144   1HB   LYS  18          2HB       LYS  18   5.196  -8.853   0.221
  145   2HB   LYS  18          1HB       LYS  18   6.310  -8.326   1.475
  146   1HG   LYS  18          2HG       LYS  18   6.819 -10.482   2.116
  147   2HG   LYS  18          1HG       LYS  18   5.327 -11.144   1.446
  148   1HD   LYS  18          2HD       LYS  18   6.159 -10.748  -0.816
  149   2HD   LYS  18          1HD       LYS  18   7.644 -10.059  -0.157
  150   1HE   LYS  18          2HE       LYS  18   8.529 -12.077   0.264
  151   2HE   LYS  18          1HE       LYS  18   7.009 -12.717   0.885
  152   1HZ   LYS  18          1HZ       LYS  18   8.008 -12.668  -1.883
  153   2HZ   LYS  18          2HZ       LYS  18   6.342 -12.711  -1.598
  154   3HZ   LYS  18          3HZ       LYS  18   7.331 -13.950  -1.013
  155    H    ALA  19           H        ALA  19   4.375  -6.322   1.803
  156    HA   ALA  19           HA       ALA  19   5.928  -5.441   3.955
  157   1HB   ALA  19          1HB       ALA  19   5.800  -3.760   2.458
  158   2HB   ALA  19          2HB       ALA  19   4.422  -3.262   3.439
  159   3HB   ALA  19          3HB       ALA  19   4.161  -4.186   1.960
  160    H    LEU  20           H        LEU  20   2.395  -5.603   3.606
  161    HA   LEU  20           HA       LEU  20   1.995  -4.742   6.341
  162   1HB   LEU  20          2HB       LEU  20   0.215  -5.414   4.037
  163   2HB   LEU  20          1HB       LEU  20  -0.456  -5.409   5.657
  164    HG   LEU  20           HG       LEU  20   1.066  -3.021   4.695
  165   1HD1  LEU  20          1HD1      LEU  20  -0.903  -2.070   3.717
  166   2HD1  LEU  20          2HD1      LEU  20  -1.859  -3.490   4.144
  167   3HD1  LEU  20          3HD1      LEU  20  -0.584  -3.617   2.933
  168   1HD2  LEU  20          1HD2      LEU  20  -1.128  -3.551   6.679
  169   2HD2  LEU  20          2HD2      LEU  20  -0.690  -1.924   6.159
  170   3HD2  LEU  20          3HD2      LEU  20   0.497  -2.939   6.980
  171    H    GLY  21           H        GLY  21   2.020  -7.716   4.510
  172   1HA   GLY  21          2HA       GLY  21   2.393  -9.843   5.446
  173   2HA   GLY  21          1HA       GLY  21   1.905  -9.216   7.013
  174    H    ILE  22           H        ILE  22  -0.029  -8.627   4.185
  175    HA   ILE  22           HA       ILE  22  -2.082 -10.431   5.280
  176    HB   ILE  22           HB       ILE  22  -3.719  -9.047   4.035
  177   1HG1  ILE  22          2HG1      ILE  22  -1.381  -7.184   3.569
  178   2HG1  ILE  22          1HG1      ILE  22  -2.095  -8.211   2.329
  179   1HG2  ILE  22          1HG2      ILE  22  -3.934  -7.543   5.731
  180   2HG2  ILE  22          2HG2      ILE  22  -2.224  -7.110   5.713
  181   3HG2  ILE  22          3HG2      ILE  22  -2.743  -8.622   6.459
  182   1HD1  ILE  22          1HD1      ILE  22  -3.840  -6.320   3.825
  183   2HD1  ILE  22          2HD1      ILE  22  -3.993  -6.939   2.181
  184   3HD1  ILE  22          3HD1      ILE  22  -2.786  -5.708   2.549
  185    H    SER  23           H        SER  23  -3.757 -10.902   3.343
  186    HA   SER  23           HA       SER  23  -2.205 -12.443   1.430
  187   1HB   SER  23          2HB       SER  23  -4.745 -13.057   0.794
  188   2HB   SER  23          1HB       SER  23  -3.883 -13.831   2.124
  189    HG   SER  23           HG       SER  23  -5.894 -13.093   2.829
  190    H    ASP  24           H        ASP  24  -2.876 -12.493  -0.863
  191    HA   ASP  24           HA       ASP  24  -2.716  -9.965  -2.041
  192   1HB   ASP  24          2HB       ASP  24  -3.391 -11.198  -4.158
  193   2HB   ASP  24          1HB       ASP  24  -1.979 -11.828  -3.315
  194    H    ALA  25           H        ALA  25  -5.472 -11.887  -1.104
  195    HA   ALA  25           HA       ALA  25  -7.452 -10.583  -2.619
  196   1HB   ALA  25          1HB       ALA  25  -8.316 -12.488  -1.748
  197   2HB   ALA  25          2HB       ALA  25  -8.864 -11.375  -0.495
  198   3HB   ALA  25          3HB       ALA  25  -7.412 -12.341  -0.241
  199    H    ALA  26           H        ALA  26  -6.232  -9.981   0.660
  200    HA   ALA  26           HA       ALA  26  -7.981  -7.924   1.366
  201   1HB   ALA  26          1HB       ALA  26  -5.217  -8.666   2.236
  202   2HB   ALA  26          2HB       ALA  26  -6.735  -8.756   3.130
  203   3HB   ALA  26          3HB       ALA  26  -5.976  -7.191   2.837
  204    H    VAL  27           H        VAL  27  -4.989  -7.860  -0.487
  205    HA   VAL  27           HA       VAL  27  -4.836  -5.000  -0.601
  206    HB   VAL  27           HB       VAL  27  -3.472  -7.028  -2.378
  207   1HG1  VAL  27          1HG1      VAL  27  -1.856  -5.248  -2.801
  208   2HG1  VAL  27          2HG1      VAL  27  -2.791  -4.150  -1.786
  209   3HG1  VAL  27          3HG1      VAL  27  -3.479  -4.758  -3.292
  210   1HG2  VAL  27          1HG2      VAL  27  -2.759  -7.590  -0.233
  211   2HG2  VAL  27          2HG2      VAL  27  -2.759  -5.913   0.312
  212   3HG2  VAL  27          3HG2      VAL  27  -1.513  -6.478  -0.800
  213    H    SER  28           H        SER  28  -5.895  -7.547  -2.835
  214    HA   SER  28           HA       SER  28  -6.543  -5.775  -4.958
  215   1HB   SER  28          2HB       SER  28  -6.113  -8.277  -5.139
  216   2HB   SER  28          1HB       SER  28  -7.745  -8.512  -4.512
  217    HG   SER  28           HG       SER  28  -8.527  -7.343  -6.301
  218    H    GLN  29           H        GLN  29  -8.271  -6.958  -2.165
  219    HA   GLN  29           HA       GLN  29 -10.870  -6.202  -3.037
  220   1HB   GLN  29          2HB       GLN  29 -10.240  -7.854  -1.181
  221   2HB   GLN  29          1HB       GLN  29 -10.010  -6.441  -0.162
  222   1HG   GLN  29          2HG       GLN  29 -12.380  -5.788  -0.775
  223   2HG   GLN  29          1HG       GLN  29 -12.540  -7.412  -1.440
  224   1HE2  GLN  29          1HE2      GLN  29 -12.530  -9.181  -0.051
  225   2HE2  GLN  29          2HE2      GLN  29 -12.780  -9.015   1.650
  226    H    TRP  30           H        TRP  30  -8.204  -4.450  -1.775
  227    HA   TRP  30           HA       TRP  30  -9.371  -2.365  -0.396
  228   1HB   TRP  30          2HB       TRP  30  -6.950  -2.483  -2.177
  229   2HB   TRP  30          1HB       TRP  30  -7.425  -0.985  -1.384
  230    HD1  TRP  30           HD       TRP  30  -8.370  -3.083   1.225
  231    HE1  TRP  30           1HE      TRP  30  -6.474  -3.603   2.886
  232    HE3  TRP  30           3HE      TRP  30  -4.368  -1.757  -1.668
  233    HZ2  TRP  30           2HZ      TRP  30  -3.655  -3.471   2.960
  234    HZ3  TRP  30           3HZ      TRP  30  -2.107  -1.983  -0.727
  235    HH2  TRP  30           HH       TRP  30  -1.759  -2.822   1.538
  236    H    LYS  31           H        LYS  31 -10.810  -0.865  -0.916
  237    HA   LYS  31           HA       LYS  31 -11.660  -0.541  -3.647
  238   1HB   LYS  31          2HB       LYS  31 -12.750  -0.066  -1.047
  239   2HB   LYS  31          1HB       LYS  31 -12.840   1.431  -1.965
  240   1HG   LYS  31          2HG       LYS  31 -13.710  -0.992  -3.393
  241   2HG   LYS  31          1HG       LYS  31 -14.720  -0.490  -2.037
  242   1HD   LYS  31          2HD       LYS  31 -14.290   1.884  -3.288
  243   2HD   LYS  31          1HD       LYS  31 -14.300   0.773  -4.658
  244   1HE   LYS  31          2HE       LYS  31 -16.490   0.186  -4.340
  245   2HE   LYS  31          1HE       LYS  31 -16.440   0.499  -2.606
  246   1HZ   LYS  31          1HZ       LYS  31 -16.210   2.730  -4.516
  247   2HZ   LYS  31          2HZ       LYS  31 -16.750   2.748  -2.914
  248   3HZ   LYS  31          3HZ       LYS  31 -17.730   2.098  -4.132
  249    H    GLU  32           H        GLU  32 -12.350   2.150  -3.737
  250    HA   GLU  32           HA       GLU  32 -10.160   3.353  -4.864
  251   1HB   GLU  32          2HB       GLU  32 -12.800   4.058  -4.407
  252   2HB   GLU  32          1HB       GLU  32 -11.890   5.310  -3.576
  253   1HG   GLU  32          2HG       GLU  32 -10.610   5.687  -5.667
  254   2HG   GLU  32          1HG       GLU  32 -11.670   4.530  -6.472
  255    H    VAL  33           H        VAL  33 -11.080   3.268  -1.491
  256    HA   VAL  33           HA       VAL  33  -8.594   4.690  -0.830
  257    HB   VAL  33           HB       VAL  33 -11.140   4.864   0.776
  258   1HG1  VAL  33          1HG1      VAL  33  -8.379   5.834   1.132
  259   2HG1  VAL  33          2HG1      VAL  33  -9.587   5.382   2.333
  260   3HG1  VAL  33          3HG1      VAL  33  -9.669   6.961   1.552
  261   1HG2  VAL  33          1HG2      VAL  33 -10.890   7.346  -0.076
  262   2HG2  VAL  33          2HG2      VAL  33 -11.740   6.133  -1.034
  263   3HG2  VAL  33          3HG2      VAL  33 -10.070   6.557  -1.427
  264    H    ILE  34           H        ILE  34  -7.243   3.247   0.015
  265    HA   ILE  34           HA       ILE  34  -7.937   0.754   1.062
  266    HB   ILE  34           HB       ILE  34  -5.655   0.680   2.001
  267   1HG1  ILE  34          2HG1      ILE  34  -5.460   3.531   1.007
  268   2HG1  ILE  34          1HG1      ILE  34  -5.523   3.048   2.699
  269   1HG2  ILE  34          1HG2      ILE  34  -5.647  -0.037  -0.177
  270   2HG2  ILE  34          2HG2      ILE  34  -4.500   1.298  -0.261
  271   3HG2  ILE  34          3HG2      ILE  34  -6.160   1.528  -0.809
  272   1HD1  ILE  34          1HD1      ILE  34  -3.369   2.203   0.781
  273   2HD1  ILE  34          2HD1      ILE  34  -3.409   1.950   2.525
  274   3HD1  ILE  34          3HD1      ILE  34  -3.250   3.582   1.873
  275    HA   PRO  35           HA       PRO  35  -9.313   1.142   5.219
  276   1HB   PRO  35          2HB       PRO  35  -6.896  -0.405   6.049
  277   2HB   PRO  35          1HB       PRO  35  -8.597  -0.681   6.441
  278   1HG   PRO  35          2HG       PRO  35  -7.370  -2.191   4.629
  279   2HG   PRO  35          1HG       PRO  35  -9.048  -1.668   4.389
  280   1HD   PRO  35          2HD       PRO  35  -6.550  -0.682   3.096
  281   2HD   PRO  35          1HD       PRO  35  -8.185  -0.835   2.424
  282    H    GLU  36           H        GLU  36  -8.806   2.085   7.291
  283    HA   GLU  36           HA       GLU  36  -7.095   4.340   7.087
  284   1HB   GLU  36          2HB       GLU  36  -9.158   4.373   8.411
  285   2HB   GLU  36          1HB       GLU  36  -8.482   3.175   9.507
  286   1HG   GLU  36          2HG       GLU  36  -6.580   4.992   9.745
  287   2HG   GLU  36          1HG       GLU  36  -7.885   6.068   9.248
  288    H    LYS  37           H        LYS  37  -6.844   1.236   8.758
  289    HA   LYS  37           HA       LYS  37  -4.323   1.938   9.977
  290   1HB   LYS  37          2HB       LYS  37  -5.977  -0.575   9.915
  291   2HB   LYS  37          1HB       LYS  37  -4.369  -0.543  10.624
  292   1HG   LYS  37          2HG       LYS  37  -6.532   1.351  11.481
  293   2HG   LYS  37          1HG       LYS  37  -6.333  -0.249  12.198
  294   1HD   LYS  37          2HD       LYS  37  -4.251   0.288  13.106
  295   2HD   LYS  37          1HD       LYS  37  -4.030   1.663  12.025
  296   1HE   LYS  37          2HE       LYS  37  -4.520   2.555  14.166
  297   2HE   LYS  37          1HE       LYS  37  -5.976   2.752  13.191
  298   1HZ   LYS  37          1HZ       LYS  37  -6.863   0.733  14.235
  299   2HZ   LYS  37          2HZ       LYS  37  -6.547   1.948  15.370
  300   3HZ   LYS  37          3HZ       LYS  37  -5.489   0.637  15.218
  301    H    ASP  38           H        ASP  38  -5.332   0.638   6.982
  302    HA   ASP  38           HA       ASP  38  -2.920  -0.851   6.471
  303   1HB   ASP  38          2HB       ASP  38  -5.321  -0.092   4.827
  304   2HB   ASP  38          1HB       ASP  38  -3.892  -0.776   4.059
  305    H    ALA  39           H        ALA  39  -4.313   2.216   5.336
  306    HA   ALA  39           HA       ALA  39  -2.184   2.974   3.678
  307   1HB   ALA  39          1HB       ALA  39  -3.609   5.138   5.086
  308   2HB   ALA  39          2HB       ALA  39  -4.618   4.005   4.186
  309   3HB   ALA  39          3HB       ALA  39  -3.335   4.892   3.362
  310    H    TYR  40           H        TYR  40  -2.585   3.095   7.134
  311    HA   TYR  40           HA       TYR  40  -0.544   5.005   7.663
  312   1HB   TYR  40          2HB       TYR  40  -2.288   4.511   9.306
  313   2HB   TYR  40          1HB       TYR  40  -1.709   2.847   9.438
  314    HD1  TYR  40           1HD      TYR  40   0.307   2.328  10.666
  315    HD2  TYR  40           2HD      TYR  40  -1.034   6.347  10.299
  316    HE1  TYR  40           1HE      TYR  40   1.855   3.002  12.457
  317    HE2  TYR  40           2HE      TYR  40   0.507   7.034  12.088
  318    HH   TYR  40           HH       TYR  40   2.662   6.189  13.086
  319    H    ARG  41           H        ARG  41  -0.614   1.450   7.919
  320    HA   ARG  41           HA       ARG  41   2.056   1.083   8.625
  321   1HB   ARG  41          2HB       ARG  41  -0.149  -0.553   7.936
  322   2HB   ARG  41          1HB       ARG  41   1.196  -1.065   6.926
  323   1HG   ARG  41          2HG       ARG  41   2.316  -1.956   8.650
  324   2HG   ARG  41          1HG       ARG  41   1.874  -0.649   9.749
  325   1HD   ARG  41          2HD       ARG  41  -0.205  -1.629  10.246
  326   2HD   ARG  41          1HD       ARG  41  -0.109  -2.726   8.869
  327    HE   ARG  41           HE       ARG  41   1.983  -3.114  10.802
  328   1HH1  ARG  41          1HH1      ARG  41  -1.296  -3.938   9.932
  329   2HH1  ARG  41          2HH1      ARG  41  -1.290  -5.425  10.819
  330   1HH2  ARG  41          1HH2      ARG  41   1.992  -5.071  11.967
  331   2HH2  ARG  41          2HH2      ARG  41   0.576  -6.069  11.974
  332    H    LEU  42           H        LEU  42   0.625   1.821   5.550
  333    HA   LEU  42           HA       LEU  42   2.630   0.924   3.823
  334   1HB   LEU  42          2HB       LEU  42   0.665   3.192   3.642
  335   2HB   LEU  42          1HB       LEU  42   1.798   2.851   2.349
  336    HG   LEU  42           HG       LEU  42  -0.356   1.006   3.377
  337   1HD1  LEU  42          1HD1      LEU  42  -0.961   2.983   1.890
  338   2HD1  LEU  42          2HD1      LEU  42  -1.472   1.384   1.351
  339   3HD1  LEU  42          3HD1      LEU  42  -0.064   2.153   0.619
  340   1HD2  LEU  42          1HD2      LEU  42   1.801   0.577   1.320
  341   2HD2  LEU  42          2HD2      LEU  42   0.358  -0.429   1.448
  342   3HD2  LEU  42          3HD2      LEU  42   1.504  -0.357   2.786
  343    H    GLU  43           H        GLU  43   2.284   4.015   5.525
  344    HA   GLU  43           HA       GLU  43   4.409   5.396   4.416
  345   1HB   GLU  43          2HB       GLU  43   2.604   5.913   6.378
  346   2HB   GLU  43          1HB       GLU  43   4.070   5.724   7.331
  347   1HG   GLU  43          2HG       GLU  43   4.643   7.365   5.073
  348   2HG   GLU  43          1HG       GLU  43   3.199   7.976   5.880
  349    H    ILE  44           H        ILE  44   4.426   3.193   7.205
  350    HA   ILE  44           HA       ILE  44   7.109   3.455   7.901
  351    HB   ILE  44           HB       ILE  44   5.507   0.926   8.150
  352   1HG1  ILE  44          2HG1      ILE  44   4.044   2.442   9.119
  353   2HG1  ILE  44          1HG1      ILE  44   5.055   2.006  10.482
  354   1HG2  ILE  44          1HG2      ILE  44   6.893   0.904  10.339
  355   2HG2  ILE  44          2HG2      ILE  44   7.933   2.048   9.490
  356   3HG2  ILE  44          3HG2      ILE  44   7.666   0.436   8.825
  357   1HD1  ILE  44          1HD1      ILE  44   5.027   4.540   8.915
  358   2HD1  ILE  44          2HD1      ILE  44   6.438   4.074   9.865
  359   3HD1  ILE  44          3HD1      ILE  44   4.878   4.301  10.657
  360    H    VAL  45           H        VAL  45   5.570   1.077   5.746
  361    HA   VAL  45           HA       VAL  45   7.971  -0.278   5.105
  362    HB   VAL  45           HB       VAL  45   6.637  -1.192   3.167
  363   1HG1  VAL  45          1HG1      VAL  45   4.843  -2.108   5.011
  364   2HG1  VAL  45          2HG1      VAL  45   6.157  -1.525   6.032
  365   3HG1  VAL  45          3HG1      VAL  45   6.477  -2.732   4.787
  366   1HG2  VAL  45          1HG2      VAL  45   4.247  -0.784   3.127
  367   2HG2  VAL  45          2HG2      VAL  45   5.128   0.728   2.907
  368   3HG2  VAL  45          3HG2      VAL  45   4.398   0.351   4.466
  369    H    THR  46           H        THR  46   6.176   2.312   3.512
  370    HA   THR  46           HA       THR  46   7.902   2.359   1.226
  371    HB   THR  46           HB       THR  46   6.596   4.351   0.600
  372    HG1  THR  46           1HG      THR  46   5.176   3.947   3.008
  373   1HG2  THR  46          1HG2      THR  46   4.477   3.338   0.283
  374   2HG2  THR  46          2HG2      THR  46   4.747   2.222   1.622
  375   3HG2  THR  46          3HG2      THR  46   5.699   2.073   0.145
  376    H    ALA  47           H        ALA  47   8.841   3.026   4.148
  377    HA   ALA  47           HA       ALA  47  10.405   4.364   5.110
  378   1HB   ALA  47          1HB       ALA  47  11.382   3.770   2.703
  379   2HB   ALA  47          2HB       ALA  47  12.220   4.835   3.830
  380   3HB   ALA  47          3HB       ALA  47  11.258   5.520   2.521
  381    H    GLY  48           H        GLY  48   7.697   5.433   4.494
  382   1HA   GLY  48          2HA       GLY  48   6.622   7.411   4.979
  383   2HA   GLY  48          1HA       GLY  48   8.192   8.129   5.304
  384    H    ALA  49           H        ALA  49   7.060   6.629   2.304
  385    HA   ALA  49           HA       ALA  49   7.848   9.004   0.836
  386   1HB   ALA  49          1HB       ALA  49   7.804   7.708  -1.074
  387   2HB   ALA  49          2HB       ALA  49   6.566   6.625  -0.437
  388   3HB   ALA  49          3HB       ALA  49   8.222   6.521   0.162
  389    H    LEU  50           H        LEU  50   4.890   7.148   1.452
  390    HA   LEU  50           HA       LEU  50   3.297   9.184   0.095
  391   1HB   LEU  50          2HB       LEU  50   2.313   6.663   1.420
  392   2HB   LEU  50          1HB       LEU  50   1.461   7.661   0.257
  393    HG   LEU  50           HG       LEU  50   4.016   6.271  -0.490
  394   1HD1  LEU  50          1HD1      LEU  50   3.033   4.271  -0.819
  395   2HD1  LEU  50          2HD1      LEU  50   1.471   4.984  -1.227
  396   3HD1  LEU  50          3HD1      LEU  50   1.954   4.827   0.461
  397   1HD2  LEU  50          1HD2      LEU  50   2.583   8.123  -1.807
  398   2HD2  LEU  50          2HD2      LEU  50   1.775   6.659  -2.366
  399   3HD2  LEU  50          3HD2      LEU  50   3.510   6.855  -2.611
  400    H    LYS  51           H        LYS  51   2.339  10.782   1.157
  401    HA   LYS  51           HA       LYS  51   2.481  10.903   4.031
  402   1HB   LYS  51          2HB       LYS  51   1.570  13.151   3.783
  403   2HB   LYS  51          1HB       LYS  51   2.900  12.898   2.660
  404   1HG   LYS  51          2HG       LYS  51   0.985  12.256   1.001
  405   2HG   LYS  51          1HG       LYS  51  -0.011  13.194   2.115
  406   1HD   LYS  51          2HD       LYS  51   1.634  15.067   1.867
  407   2HD   LYS  51          1HD       LYS  51   2.421  14.129   0.597
  408   1HE   LYS  51          2HE       LYS  51  -0.057  14.028  -0.340
  409   2HE   LYS  51          1HE       LYS  51  -0.207  15.515   0.595
  410   1HZ   LYS  51          1HZ       LYS  51   2.021  16.065  -0.654
  411   2HZ   LYS  51          2HZ       LYS  51   0.518  16.355  -1.372
  412   3HZ   LYS  51          3HZ       LYS  51   1.400  14.973  -1.788
  413    H    TYR  52           H        TYR  52   1.042   9.888   5.252
  414    HA   TYR  52           HA       TYR  52  -1.459   8.951   4.379
  415   1HB   TYR  52          2HB       TYR  52  -0.198   8.026   6.312
  416   2HB   TYR  52          1HB       TYR  52  -0.572   9.486   7.222
  417    HD1  TYR  52           1HD      TYR  52  -3.138  10.048   7.423
  418    HD2  TYR  52           2HD      TYR  52  -1.586   6.191   6.519
  419    HE1  TYR  52           1HE      TYR  52  -5.232   9.030   8.201
  420    HE2  TYR  52           2HE      TYR  52  -3.681   5.161   7.293
  421    HH   TYR  52           HH       TYR  52  -6.227   6.086   7.484
  422    H    GLN  53           H        GLN  53  -3.222  10.080   3.919
  423    HA   GLN  53           HA       GLN  53  -3.586  12.719   5.138
  424   1HB   GLN  53          2HB       GLN  53  -4.907  11.433   2.743
  425   2HB   GLN  53          1HB       GLN  53  -5.309  13.031   3.358
  426   1HG   GLN  53          2HG       GLN  53  -2.559  13.102   3.040
  427   2HG   GLN  53          1HG       GLN  53  -3.137  12.195   1.643
  428   1HE2  GLN  53          1HE2      GLN  53  -3.108  15.249   3.271
  429   2HE2  GLN  53          2HE2      GLN  53  -3.815  16.173   1.994
  430    H    GLU  54           H        GLU  54  -4.843  12.837   6.867
  431    HA   GLU  54           HA       GLU  54  -6.806  10.756   7.392
  432   1HB   GLU  54          2HB       GLU  54  -6.986  11.736   9.608
  433   2HB   GLU  54          1HB       GLU  54  -5.296  11.477   9.195
  434   1HG   GLU  54          2HG       GLU  54  -5.181  13.889   8.537
  435   2HG   GLU  54          1HG       GLU  54  -6.800  14.078   9.207
  436    H    ASN  55           H        ASN  55  -7.361  12.563   5.214
  437    HA   ASN  55           HA       ASN  55  -9.425  14.351   6.201
  438   1HB   ASN  55          2HB       ASN  55  -7.759  14.726   4.190
  439   2HB   ASN  55          1HB       ASN  55  -8.978  13.832   3.288
  440   1HD2  ASN  55          1HD2      ASN  55  -8.249  16.751   5.011
  441   2HD2  ASN  55          2HD2      ASN  55  -9.628  17.649   4.485
  442    H    ALA  56           H        ALA  56  -9.155  11.473   4.148
  443    HA   ALA  56           HA       ALA  56 -12.050  11.206   4.036
  444   1HB   ALA  56          1HB       ALA  56 -11.750   9.842   2.251
  445   2HB   ALA  56          2HB       ALA  56 -10.300   9.089   2.928
  446   3HB   ALA  56          3HB       ALA  56 -10.200  10.683   2.182
  447    H    TYR  57           H        TYR  57  -9.567  10.248   6.092
  448    HA   TYR  57           HA       TYR  57 -10.800   7.732   6.870
  449   1HB   TYR  57          2HB       TYR  57  -8.349   9.168   7.903
  450   2HB   TYR  57          1HB       TYR  57  -8.903   7.599   8.478
  451    HD1  TYR  57           1HD      TYR  57  -6.459   8.966   6.607
  452    HD2  TYR  57           2HD      TYR  57  -9.538   6.057   6.201
  453    HE1  TYR  57           1HE      TYR  57  -5.175   7.864   4.821
  454    HE2  TYR  57           2HE      TYR  57  -8.264   4.948   4.416
  455    HH   TYR  57           HH       TYR  57  -5.434   6.374   3.015
  456    H    ARG  58           H        ARG  58 -11.800  10.682   7.370
  457    HA   ARG  58           HA       ARG  58 -12.090  10.562  10.271
  458   1HB   ARG  58          2HB       ARG  58 -11.650  12.674   8.629
  459   2HB   ARG  58          1HB       ARG  58 -13.410  12.737   8.760
  460   1HG   ARG  58          2HG       ARG  58 -11.860  12.434  11.268
  461   2HG   ARG  58          1HG       ARG  58 -11.810  13.999  10.453
  462   1HD   ARG  58          2HD       ARG  58 -13.730  14.465  11.474
  463   2HD   ARG  58          1HD       ARG  58 -14.490  13.288  10.401
  464    HE   ARG  58           HE       ARG  58 -13.340  12.077  12.723
  465   1HH1  ARG  58          1HH1      ARG  58 -16.140  13.770  11.517
  466   2HH1  ARG  58          2HH1      ARG  58 -17.210  13.098  12.701
  467   1HH2  ARG  58          1HH2      ARG  58 -14.750  11.193  14.281
  468   2HH2  ARG  58          2HH2      ARG  58 -16.420  11.636  14.272
  469    H    GLN  59           H        GLN  59 -13.930  10.174   7.330
  470    HA   GLN  59           HA       GLN  59 -16.190   9.223   8.923
  471   1HB   GLN  59          2HB       GLN  59 -16.250  11.697   7.714
  472   2HB   GLN  59          1HB       GLN  59 -17.020  10.670   6.512
  473   1HG   GLN  59          2HG       GLN  59 -18.840  10.281   7.798
  474   2HG   GLN  59          1HG       GLN  59 -17.930  10.349   9.305
  475   1HE2  GLN  59          1HE2      GLN  59 -17.960  12.169  10.465
  476   2HE2  GLN  59          2HE2      GLN  59 -18.690  13.653   9.967
  477    H    ALA  60           H        ALA  60 -15.940   7.112   8.380
  478    HA   ALA  60           HA       ALA  60 -16.040   5.207   7.140
  479   1HB   ALA  60          1HB       ALA  60 -17.230   5.548   4.829
  480   2HB   ALA  60          2HB       ALA  60 -17.600   7.137   5.494
  481   3HB   ALA  60          3HB       ALA  60 -18.140   5.682   6.334
  482    H    ALA  61           H        ALA  61 -15.580   4.416   4.689
  483    HA   ALA  61           HA       ALA  61 -13.430   5.888   3.436
  484   1HB   ALA  61          1HB       ALA  61 -12.070   3.589   3.636
  485   2HB   ALA  61          2HB       ALA  61 -12.940   3.548   5.172
  486   3HB   ALA  61          3HB       ALA  61 -11.890   4.916   4.784